*HEADER    TOXIN                                   12-DEC-15   2N9W              
*TITLE     SOLUTION NMR STRUCTURE OF THE MEMBRANE LOCALIZATION DOMAIN FROM THE   
*TITLE    2 RAS/RAP1-SPECIFIC ENDOPEPTIDASE (RRSP) OF THE VIBRIO VULNIFICUS      
*TITLE    3 MULTIFUNCTIONAL AUTOPROCESSING REPEATS-IN-TOXINS (MARTX) TOXIN       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RTX TOXIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 3591-3669;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: VIBRIO VULNIFICUS;                              
*SOURCE   3 ORGANISM_TAXID: 672;                                                 
*SOURCE   4 GENE: LO82_10955;                                                    
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PYCPET                                     
*KEYWDS    BACTERIAL TOXIN, MEMBRANE LOCALIZATION DOMAINS, TOXIN                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.S.HISAO, M.C.BROTHERS, M.HO, B.A.WILSON, C.M.RIENSTRA               
*REVDAT   1   07-DEC-16 2N9W    0                                                


!
! Converted from final Marvin NOEs
! Low-likelihood assignments were removed
!
! 
! peak name 3dC10
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 117000.000000
! from proton shift 3.525000
! to proton shift 1.075500
! from heavyatom shift 66.387000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 10
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name ha) (resid 77 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1009
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16000.000000
! from proton shift 1.004000
! to proton shift 4.118500
! from heavyatom shift 16.639000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1009
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg2#) (resid 59 and resn ala and name ha) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC101
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 99200.000000
! from proton shift 2.369000
! to proton shift 2.080500
! from heavyatom shift 32.398000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 101
! note degeneracy 108, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hb*) (resid 20 and resn PRO and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1012
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 51100.000000
! from proton shift 0.730000
! to proton shift 1.006500
! from heavyatom shift 14.836000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1012
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hd*) (resid 50 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
    or (resid 28 and resn ile and name hd*) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC1017
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 119000.000000
! from proton shift 0.848000
! to proton shift 0.995500
! from heavyatom shift 12.885000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1017
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hd*) (resid 21 and resn ile and name hg2#) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC1018
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 88200.000000
! from proton shift 0.862000
! to proton shift 1.136500
! from heavyatom shift 12.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1018
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hd*) (resid 21 and resn ile and name hg12) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1020
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76100.000000
! from proton shift 0.862000
! to proton shift 1.758500
! from heavyatom shift 12.894000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1020
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hd*) (resid 21 and resn ile and name hg11) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1021
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 60800.000000
! from proton shift 0.848000
! to proton shift 1.958500
! from heavyatom shift 12.910000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1021
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hd*) (resid 21 and resn ile and name hb) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1022
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 50600.000000
! from proton shift 0.814000
! to proton shift 2.094500
! from heavyatom shift 12.332000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1022
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hd*) (resid 44 and resn ile and name hb) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1023
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 71600.000000
! from proton shift 0.814000
! to proton shift 1.589500
! from heavyatom shift 12.326000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1023
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hd*) (resid 44 and resn ile and name hg11) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1024
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33600.000000
! from proton shift 0.860000
! to proton shift 4.001500
! from heavyatom shift 13.069000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1024
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hd*) (resid 21 and resn ile and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1038
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16700.000000
! from proton shift 0.848000
! to proton shift 3.027500
! from heavyatom shift 21.269000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1038
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn VAL and name hg*) (resid 13 and resn ARG and name hd*) 4.150000 2.350000 2.350000 
    or (resid 16 and resn VAL and name hg*) (resid 15 and resn LYS and name he*) 
    or (resid 16 and resn VAL and name hg*) (resid 17 and resn PHE and name hb*) 
    or (resid 16 and resn VAL and name hg*) (resid 19 and resn LYS and name he*) 
 
! 
! peak name 3dC1039
! bounds 6.000000 1.800000
! likelihood 0.930000
! intensity 16200.000000
! from proton shift 0.831000
! to proton shift 3.166500
! from heavyatom shift 21.220000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1039
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn VAL and name hg*) (resid 19 and resn LYS and name he*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC104
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38400.000000
! from proton shift 2.313000
! to proton shift 3.525500
! from heavyatom shift 31.997000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 104
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hb) (resid 77 and resn val and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1041
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 142000.000000
! from proton shift 0.832000
! to proton shift 4.010500
! from heavyatom shift 21.148000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1041
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn VAL and name hg*) (resid 16 and resn val and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1043
! bounds 2.700000 1.800000
! likelihood 0.980000
! intensity 235000.000000
! from proton shift 1.016000
! to proton shift 1.201500
! from heavyatom shift 21.770000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1043
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 6 and resn thr and name hg2#) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC1044
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38100.000000
! from proton shift 1.006000
! to proton shift 1.444500
! from heavyatom shift 21.826000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1044
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 29 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1045
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 76900.000000
! from proton shift 1.023000
! to proton shift 1.700500
! from heavyatom shift 21.857000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1045
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 11 and resn LYS and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1048
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 1.015000
! to proton shift 2.089500
! from heavyatom shift 21.866000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1048
! note degeneracy 58, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 7 and resn val and name hb) 2.500000 0.700000 0.700000 
    or (resid 7 and resn VAL and name hg*) (resid 29 and resn LEU and name hb*) 
 
! 
! peak name 3dC105
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 2.310000
! to proton shift 1.071500
! from heavyatom shift 31.961000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 105
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hb) (resid 77 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1052
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12300.000000
! from proton shift 0.640000
! to proton shift 3.771500
! from heavyatom shift 20.758000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1052
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 43 and resn gln and name ha) 4.150000 2.350000 2.350000 

! 
! peak name 3dC106
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 129000.000000
! from proton shift 2.307000
! to proton shift 0.942500
! from heavyatom shift 32.009000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 106
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hb) (resid 77 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC107
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 23000.000000
! from proton shift 3.725000
! to proton shift 1.710500
! from heavyatom shift 57.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 107
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn leu and name ha) (resid 13 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1072
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 10600.000000
! from proton shift 1.370000
! to proton shift 2.846500
! from heavyatom shift 26.672000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1072
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name hg*) (resid 11 and resn LYS and name he*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1073
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12900.000000
! from proton shift 1.366000
! to proton shift 3.004500
! from heavyatom shift 26.473000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1073
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name hg*) (resid 11 and resn LYS and name he*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC108
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 39100.000000
! from proton shift 3.844000
! to proton shift 2.095500
! from heavyatom shift 58.450000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 108
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name ha) (resid 29 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1089
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 41600.000000
! from proton shift 2.692000
! to proton shift 2.277500
! from heavyatom shift 28.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1089
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn GLN and name hb*) (resid 31 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC109
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 54900.000000
! from proton shift 3.705000
! to proton shift 2.065500
! from heavyatom shift 50.889000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 109
! note degeneracy 62, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hd*) (resid 20 and resn PRO and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1092
! bounds 6.000000 1.800000
! likelihood 0.950000
! intensity 16600.000000
! from proton shift 2.718000
! to proton shift 0.625500
! from heavyatom shift 28.254000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1092
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn GLN and name hb*) (resid 28 and resn ile and name hg12) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1098
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32200.000000
! from proton shift 2.290000
! to proton shift 1.298500
! from heavyatom shift 28.623000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1098
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hb*) (resid 38 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1099
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 33000.000000
! from proton shift 2.267000
! to proton shift 0.994500
! from heavyatom shift 28.380000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1099
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn GLN and name hb*) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 72 and resn GLN and name hb*) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dC11
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 95700.000000
! from proton shift 3.526000
! to proton shift 0.936500
! from heavyatom shift 66.342000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 11
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name ha) (resid 77 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC110
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 2.384000
! to proton shift 2.041500
! from heavyatom shift 32.426000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 110
! note degeneracy 90, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hb*) (resid 20 and resn PRO and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1102
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17400.000000
! from proton shift 2.985000
! to proton shift 4.208500
! from heavyatom shift 28.533000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1102
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn HIS and name hb*) (resid 64 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1104
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11800.000000
! from proton shift 2.970000
! to proton shift 4.372500
! from heavyatom shift 28.839000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1104
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn HIS and name hb*) (resid 64 and resn ser and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1105
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12700.000000
! from proton shift 2.966000
! to proton shift 5.008500
! from heavyatom shift 28.681000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1105
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn HIS and name hb*) (resid 61 and resn his and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1108
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 18700.000000
! from proton shift 2.206000
! to proton shift 3.022500
! from heavyatom shift 35.743000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1108
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn GLU and name hg*) (resid 53 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1110
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 131000.000000
! from proton shift 2.205000
! to proton shift 2.023500
! from heavyatom shift 35.825000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1110
! note degeneracy 108, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn GLU and name hg*) (resid 49 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1112
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25000.000000
! from proton shift 2.528000
! to proton shift 4.105500
! from heavyatom shift 36.482000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1112
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn GLU and name hg*) (resid 75 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1113
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15900.000000
! from proton shift 2.520000
! to proton shift 4.174500
! from heavyatom shift 36.425000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1113
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn GLU and name hg*) (resid 72 and resn gln and name ha) 3.900000 2.100000 2.100000 
    or (resid 75 and resn GLU and name hg*) (resid 74 and resn lys and name ha) 
 
! 
! peak name 3dC1114
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38700.000000
! from proton shift 2.155000
! to proton shift 4.228500
! from heavyatom shift 36.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1114
! note degeneracy 66, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn GLU and name hg*) (resid 84 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1115
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 30100.000000
! from proton shift 2.199000
! to proton shift 4.324500
! from heavyatom shift 35.669000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1115
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn GLU and name hg*) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1116
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15500.000000
! from proton shift 2.219000
! to proton shift 4.181500
! from heavyatom shift 35.820000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1116
! note degeneracy 108, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn GLU and name hg*) (resid 46 and resn ala and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1123
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 43500.000000
! from proton shift 3.045000
! to proton shift 4.133500
! from heavyatom shift 37.653000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1123
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 25 and resn TYR and name hb*) (resid 25 and resn tyr and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1124
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25400.000000
! from proton shift 3.038000
! to proton shift 4.469500
! from heavyatom shift 37.449000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1124
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn ASN and name hb*) (resid 55 and resn asn and name ha) 3.400000 1.600000 1.600000 
    or (resid 67 and resn ASN and name hb*) (resid 67 and resn asn and name ha) 
 
! 
! peak name 3dC1125
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16000.000000
! from proton shift 3.141000
! to proton shift 3.687500
! from heavyatom shift 39.314000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1125
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn TYR and name hb*) (resid 54 and resn ile and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1126
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25400.000000
! from proton shift 3.140000
! to proton shift 4.262500
! from heavyatom shift 39.464000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1126
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn TYR and name hb*) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1128
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23200.000000
! from proton shift 3.598000
! to proton shift 5.075500
! from heavyatom shift 40.243000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1128
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 5 and resn phe and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1129
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 18900.000000
! from proton shift 2.914000
! to proton shift 5.068500
! from heavyatom shift 40.307000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1129
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 5 and resn phe and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC113
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 93500.000000
! from proton shift 1.976000
! to proton shift 2.461500
! from heavyatom shift 28.079000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 113
! note degeneracy 45, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn GLN and name hb*) (resid 26 and resn GLN and name hg*) 2.250000 0.450000 0.450000 
    or (resid 8 and resn GLN and name hb*) (resid 8 and resn GLN and name hg*) 
 
! 
! peak name 3dC1130
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 61100.000000
! from proton shift 1.797000
! to proton shift 0.633500
! from heavyatom shift 42.146000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1130
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1131
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 46400.000000
! from proton shift 1.800000
! to proton shift 0.714500
! from heavyatom shift 42.157000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1131
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1134
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12300.000000
! from proton shift 1.870000
! to proton shift 1.200500
! from heavyatom shift 41.368000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1134
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hb*) (resid 6 and resn thr and name hg2#) 4.150000 2.350000 2.350000 
    or (resid 10 and resn LEU and name hb*) (resid 7 and resn VAL and name hg*) 
 
! 
! peak name 3dC114
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 68200.000000
! from proton shift 1.990000
! to proton shift 3.927500
! from heavyatom shift 28.047000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 114
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn GLN and name hb*) (resid 8 and resn gln and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1141
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33500.000000
! from proton shift 3.639000
! to proton shift 5.021500
! from heavyatom shift 50.308000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1141
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn PRO and name hd*) (resid 61 and resn his and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1144
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17200.000000
! from proton shift 3.389000
! to proton shift 2.486500
! from heavyatom shift 50.560000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1144
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1145
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49000.000000
! from proton shift 3.393000
! to proton shift 2.110500
! from heavyatom shift 50.410000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1145
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1146
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 37400.000000
! from proton shift 3.395000
! to proton shift 2.057500
! from heavyatom shift 50.376000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1146
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1151
! bounds 2.700000 1.800000
! likelihood 0.970000
! intensity 98400.000000
! from proton shift 4.439000
! to proton shift 1.002500
! from heavyatom shift 56.129000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1151
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name ha) (resid 54 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1152
! bounds 3.300000 1.800000
! likelihood 0.910000
! intensity 58400.000000
! from proton shift 4.457000
! to proton shift 0.908500
! from heavyatom shift 56.253000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1152
! note degeneracy 44, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name ha) (resid 58 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1153
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 4.430000
! to proton shift 2.073500
! from heavyatom shift 56.454000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1153
! note degeneracy 150, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name ha) (resid 37 and resn GLN and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1155
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 44700.000000
! from proton shift 4.230000
! to proton shift 2.176500
! from heavyatom shift 57.195000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1155
! note degeneracy 90, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 66 and resn arg and name ha) (resid 66 and resn ARG and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1156
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 48800.000000
! from proton shift 4.244000
! to proton shift 1.406500
! from heavyatom shift 57.278000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1156
! note degeneracy 64, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 66 and resn arg and name ha) (resid 66 and resn ARG and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1158
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22700.000000
! from proton shift 4.033000
! to proton shift 1.568500
! from heavyatom shift 57.250000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1158
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn glu and name ha) (resid 59 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1160
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76900.000000
! from proton shift 4.190000
! to proton shift 2.443500
! from heavyatom shift 57.498000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1160
! note degeneracy 102, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name ha) (resid 73 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
    or (resid 73 and resn leu and name ha) (resid 76 and resn GLN and name hb*) 
    or (resid 70 and resn leu and name ha) (resid 73 and resn LEU and name hb*) 
 
! 
! peak name 3dC1161
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 50300.000000
! from proton shift 4.236000
! to proton shift 2.170500
! from heavyatom shift 57.297000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1161
! note degeneracy 100, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 66 and resn arg and name ha) (resid 66 and resn ARG and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1164
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 85800.000000
! from proton shift 0.817000
! to proton shift 1.241500
! from heavyatom shift 12.278000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1164
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hd*) (resid 44 and resn ile and name hg12) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1165
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38000.000000
! from proton shift 0.810000
! to proton shift 3.532500
! from heavyatom shift 12.344000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1165
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hd*) (resid 44 and resn ile and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1166
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 41100.000000
! from proton shift 0.810000
! to proton shift 4.127500
! from heavyatom shift 12.195000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1166
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hd*) (resid 41 and resn arg and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC117
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33700.000000
! from proton shift 2.089000
! to proton shift 3.537500
! from heavyatom shift 37.321000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 117
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hb) (resid 44 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1171
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 71800.000000
! from proton shift 4.012000
! to proton shift 1.944500
! from heavyatom shift 62.737000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1171
! note degeneracy 78, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn val and name ha) (resid 16 and resn val and name hb) 2.550000 0.750000 0.750000 
    or (resid 21 and resn ile and name ha) (resid 21 and resn ile and name hb) 
 
! 
! peak name 3dC1172
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 61600.000000
! from proton shift 4.415000
! to proton shift 3.186500
! from heavyatom shift 59.876000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1172
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name ha) (resid 36 and resn HIS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1173
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 46800.000000
! from proton shift 4.411000
! to proton shift 3.315500
! from heavyatom shift 59.876000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1173
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name ha) (resid 36 and resn HIS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1176
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 92800.000000
! from proton shift 1.077000
! to proton shift 3.530500
! from heavyatom shift 23.430000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1176
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 77 and resn val and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1177
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 54100.000000
! from proton shift 1.460000
! to proton shift 3.523500
! from heavyatom shift 18.623000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1177
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name hb#) (resid 77 and resn val and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1178
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35600.000000
! from proton shift 0.733000
! to proton shift 3.475500
! from heavyatom shift 14.902000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1178
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hd*) (resid 28 and resn ile and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1180
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 35500.000000
! from proton shift 0.740000
! to proton shift 3.155500
! from heavyatom shift 14.944000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1180
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hd*) (resid 57 and resn TYR and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1183
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 10100.000000
! from proton shift 0.819000
! to proton shift 1.850500
! from heavyatom shift 12.323000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1183
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hd*) (resid 41 and resn ARG and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1185
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 13300.000000
! from proton shift 0.814000
! to proton shift 3.339500
! from heavyatom shift 12.264000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1185
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hd*) (resid 41 and resn ARG and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1186
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 10800.000000
! from proton shift 0.805000
! to proton shift 3.125500
! from heavyatom shift 12.115000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1186
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hd*) (resid 42 and resn ASP and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1188
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33700.000000
! from proton shift 0.911000
! to proton shift 3.747500
! from heavyatom shift 14.276000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1188
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hd*) (resid 58 and resn ile and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1189
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 0.642000
! to proton shift 1.072500
! from heavyatom shift 14.127000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1189
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hd*) (resid 35 and resn VAL and name hg*) 2.750000 0.950000 0.950000 
    or (resid 4 and resn ile and name hd*) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC1190
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 30100.000000
! from proton shift 4.200000
! to proton shift 2.975500
! from heavyatom shift 63.854000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1190
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 64 and resn SER and name hb*) (resid 61 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1191
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22900.000000
! from proton shift 4.204000
! to proton shift 2.830500
! from heavyatom shift 63.745000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1191
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 64 and resn SER and name hb*) (resid 61 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1193
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 10400.000000
! from proton shift 5.010000
! to proton shift 2.097500
! from heavyatom shift 53.248000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1193
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name ha) (resid 62 and resn PRO and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1194
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 51300.000000
! from proton shift 3.937000
! to proton shift 2.053500
! from heavyatom shift 50.994000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1194
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hd*) (resid 20 and resn PRO and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1195
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 87700.000000
! from proton shift 3.328000
! to proton shift 2.043500
! from heavyatom shift 43.184000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1195
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn ARG and name hd*) (resid 41 and resn ARG and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC12
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42900.000000
! from proton shift 3.477000
! to proton shift 1.940500
! from heavyatom shift 66.142000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 12
! note degeneracy 50, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name ha) (resid 28 and resn ile and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC120
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36300.000000
! from proton shift 2.089000
! to proton shift 1.591500
! from heavyatom shift 37.350000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 120
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hb) (resid 44 and resn ile and name hg11) 3.650000 1.850000 1.850000 
    or (resid 44 and resn ile and name hb) (resid 45 and resn ala and name hb#) 
 
! 
! peak name 3dC1201
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 17200.000000
! from proton shift 3.329000
! to proton shift 2.793500
! from heavyatom shift 43.498000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1201
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn ARG and name hd*) (resid 42 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1205
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 67200.000000
! from proton shift 2.655000
! to proton shift 2.296500
! from heavyatom shift 34.401000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1205
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 43 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1207
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33900.000000
! from proton shift 2.462000
! to proton shift 3.386500
! from heavyatom shift 31.506000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1207
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hb) (resid 35 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1208
! bounds 3.300000 1.800000
! likelihood 0.920000
! intensity 44100.000000
! from proton shift 2.468000
! to proton shift 4.140500
! from heavyatom shift 31.539000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1208
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hb) (resid 32 and resn leu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1209
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 208000.000000
! from proton shift 1.059000
! to proton shift 0.645500
! from heavyatom shift 24.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1209
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 4 and resn ile and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC1210
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35600.000000
! from proton shift 1.072000
! to proton shift 4.177500
! from heavyatom shift 23.545000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1210
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 46 and resn ala and name ha) 3.650000 1.850000 1.850000 
    or (resid 77 and resn VAL and name hg*) (resid 74 and resn lys and name ha) 
 
! 
! peak name 3dC1211
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 19600.000000
! from proton shift 0.698000
! to proton shift 3.764500
! from heavyatom shift 22.737000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1211
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn LEU and name hd*) (resid 43 and resn gln and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1213
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 61000.000000
! from proton shift 0.694000
! to proton shift 1.800500
! from heavyatom shift 22.757000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1213
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn LEU and name hd*) (resid 81 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1216
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 1.013000
! to proton shift 2.061500
! from heavyatom shift 14.333000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1216
! note degeneracy 31, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 74 and resn LYS and name hb*) 2.500000 0.700000 0.700000 
    or (resid 54 and resn ile and name hd*) (resid 54 and resn ile and name hb) 
 
! 
! peak name 3dC1220
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 0.914000
! to proton shift 1.170500
! from heavyatom shift 14.223000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1220
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hd*) (resid 58 and resn ile and name hg11) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1221
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 301000.000000
! from proton shift 0.907000
! to proton shift 1.000500
! from heavyatom shift 14.286000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1221
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hd*) (resid 54 and resn ile and name hg2#) 2.750000 0.950000 0.950000 
    or (resid 58 and resn ile and name hd*) (resid 58 and resn ile and name hg2#) 
 
! 
! peak name 3dC1222
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77900.000000
! from proton shift 0.913000
! to proton shift 1.934500
! from heavyatom shift 14.253000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1222
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hd*) (resid 58 and resn ile and name hb) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1223
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 0.907000
! to proton shift 2.074500
! from heavyatom shift 14.389000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1223
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hd*) (resid 70 and resn LEU and name hb*) 2.500000 0.700000 0.700000 
    or (resid 58 and resn ile and name hd*) (resid 58 and resn ile and name hg12) 
 
! 
! peak name 3dC1224
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 254000.000000
! from proton shift 1.015000
! to proton shift 0.911500
! from heavyatom shift 14.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1224
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 54 and resn ile and name hg12) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1225
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 34700.000000
! from proton shift 0.736000
! to proton shift 2.063500
! from heavyatom shift 14.994000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1225
! note degeneracy 31, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hd*) (resid 70 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1227
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16500.000000
! from proton shift 0.836000
! to proton shift 1.386500
! from heavyatom shift 21.177000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1227
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn VAL and name hg*) (resid 14 and resn ala and name hb#) 4.400000 2.600000 2.600000 
 
! 
! peak name 3dC1228
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 0.851000
! to proton shift 2.091500
! from heavyatom shift 17.560000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1228
! note degeneracy 29, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg2#) (resid 44 and resn ile and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1230
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 37300.000000
! from proton shift 0.858000
! to proton shift 1.593500
! from heavyatom shift 17.529000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1230
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg2#) (resid 44 and resn ile and name hg11) 3.050000 1.250000 1.250000 
    or (resid 44 and resn ile and name hg2#) (resid 45 and resn ala and name hb#) 
 
! 
! peak name 3dC1231
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 56500.000000
! from proton shift 0.850000
! to proton shift 1.243500
! from heavyatom shift 17.761000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1231
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg2#) (resid 44 and resn ile and name hg12) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1233
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 24200.000000
! from proton shift 0.926000
! to proton shift 2.716500
! from heavyatom shift 17.742000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1233
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hg2#) (resid 76 and resn GLN and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1234
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 121000.000000
! from proton shift 0.930000
! to proton shift 1.484500
! from heavyatom shift 17.762000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1234
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hg2#) (resid 4 and resn ile and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1235
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 0.935000
! to proton shift 1.146500
! from heavyatom shift 17.700000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1235
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hg2#) (resid 32 and resn LEU and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC1236
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 0.933000
! to proton shift 1.075500
! from heavyatom shift 17.601000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1236
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hg2#) (resid 35 and resn VAL and name hg*) 2.750000 0.950000 0.950000 
    or (resid 4 and resn ile and name hg2#) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC1237
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17600.000000
! from proton shift 1.002000
! to proton shift 3.316500
! from heavyatom shift 18.000000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1237
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 74 and resn LYS and name he*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1238
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20100.000000
! from proton shift 1.002000
! to proton shift 2.416500
! from heavyatom shift 17.920000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1238
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 50 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 54 and resn ile and name hg2#) (resid 74 and resn LYS and name hb*) 
 
! 
! peak name 3dC1239
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 30500.000000
! from proton shift 1.004000
! to proton shift 2.275500
! from heavyatom shift 17.877000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1239
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 72 and resn GLN and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC124
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 62200.000000
! from proton shift 4.034000
! to proton shift 1.629500
! from heavyatom shift 57.086000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 124
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn glu and name ha) (resid 60 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1240
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 0.997000
! to proton shift 1.963500
! from heavyatom shift 17.830000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1240
! note degeneracy 72, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hg2#) (resid 21 and resn ile and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1241
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14500.000000
! from proton shift 1.000000
! to proton shift 2.787500
! from heavyatom shift 18.005000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1241
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 56 and resn ASP and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1242
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 14300.000000
! from proton shift 1.004000
! to proton shift 2.347500
! from heavyatom shift 18.014000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1242
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 75 and resn GLU and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1243
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22700.000000
! from proton shift 1.566000
! to proton shift 4.511500
! from heavyatom shift 18.751000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1243
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hb#) (resid 56 and resn asp and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1249
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22200.000000
! from proton shift 1.571000
! to proton shift 3.045500
! from heavyatom shift 18.713000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1249
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hb#) (resid 55 and resn ASN and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1250
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23500.000000
! from proton shift 1.569000
! to proton shift 2.485500
! from heavyatom shift 18.698000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1250
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hb#) (resid 62 and resn PRO and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1252
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 59900.000000
! from proton shift 1.298000
! to proton shift 2.797500
! from heavyatom shift 19.629000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1252
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hb#) (resid 42 and resn ASP and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1253
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 18000.000000
! from proton shift 1.304000
! to proton shift 2.216500
! from heavyatom shift 19.721000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1253
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hb#) (resid 39 and resn LYS and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1254
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 110000.000000
! from proton shift 0.949000
! to proton shift 2.308500
! from heavyatom shift 22.212000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1254
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 77 and resn val and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1255
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 86500.000000
! from proton shift 0.818000
! to proton shift 3.852500
! from heavyatom shift 23.422000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1255
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hd*) (resid 29 and resn leu and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1256
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27300.000000
! from proton shift 0.815000
! to proton shift 3.596500
! from heavyatom shift 23.489000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1256
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hd*) (resid 7 and resn val and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1258
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14200.000000
! from proton shift 0.809000
! to proton shift 2.845500
! from heavyatom shift 23.394000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1258
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hd*) (resid 11 and resn LYS and name he*) 4.150000 2.350000 2.350000 
    or (resid 29 and resn LEU and name hd*) (resid 33 and resn ASP and name hb*) 
 
! 
! peak name 3dC1261
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 34400.000000
! from proton shift 0.818000
! to proton shift 1.697500
! from heavyatom shift 23.459000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1261
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hd*) (resid 11 and resn LYS and name hd*) 3.650000 1.850000 1.850000 
    or (resid 29 and resn LEU and name hd*) (resid 11 and resn LYS and name hg*) 
 
! 
! peak name 3dC1266
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 63100.000000
! from proton shift 0.653000
! to proton shift 2.054500
! from heavyatom shift 27.425000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1266
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn leu and name hg) (resid 70 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1269
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27100.000000
! from proton shift 0.651000
! to proton shift 1.607500
! from heavyatom shift 27.397000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1269
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn leu and name hg) (resid 70 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC127
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34900.000000
! from proton shift 2.341000
! to proton shift 3.940500
! from heavyatom shift 30.101000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 127
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn GLU and name hb*) (resid 8 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 9 and resn GLU and name hb*) (resid 9 and resn glu and name ha) 
 
! 
! peak name 3dC1271
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 90100.000000
! from proton shift 2.144000
! to proton shift 3.928500
! from heavyatom shift 27.981000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1271
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn GLN and name hb*) (resid 8 and resn gln and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1272
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23500.000000
! from proton shift 1.763000
! to proton shift 4.004500
! from heavyatom shift 27.910000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1272
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hg11) (resid 21 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1273
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 28500.000000
! from proton shift 1.132000
! to proton shift 4.006500
! from heavyatom shift 27.860000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1273
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hg12) (resid 21 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1274
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76200.000000
! from proton shift 2.029000
! to proton shift 2.709500
! from heavyatom shift 28.364000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1274
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn GLN and name hb*) (resid 76 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1275
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 275000.000000
! from proton shift 3.042000
! to proton shift 1.761500
! from heavyatom shift 41.977000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1275
! note degeneracy 108, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name he*) (resid 15 and resn LYS and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1276
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73900.000000
! from proton shift 2.857000
! to proton shift 1.703500
! from heavyatom shift 41.965000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1276
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name he*) (resid 11 and resn LYS and name hd*) 2.550000 0.750000 0.750000 
    or (resid 11 and resn LYS and name he*) (resid 11 and resn LYS and name hg*) 
 
! 
! peak name 3dC1277
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 31800.000000
! from proton shift 2.059000
! to proton shift 0.652500
! from heavyatom shift 41.803000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1277
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn LEU and name hb*) (resid 70 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1278
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27600.000000
! from proton shift 2.067000
! to proton shift 0.904500
! from heavyatom shift 41.859000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1278
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn LEU and name hb*) (resid 54 and resn ile and name hg12) 3.650000 1.850000 1.850000 
    or (resid 70 and resn LEU and name hb*) (resid 58 and resn ile and name hd*) 
 
! 
! peak name 3dC1281
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32700.000000
! from proton shift 4.144000
! to proton shift 3.012500
! from heavyatom shift 57.946000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1281
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name ha) (resid 13 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1284
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 66200.000000
! from proton shift 4.145000
! to proton shift 3.057500
! from heavyatom shift 60.004000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1284
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name ha) (resid 55 and resn ASN and name hb*) 2.550000 0.750000 0.750000 
    or (resid 25 and resn tyr and name ha) (resid 25 and resn TYR and name hb*) 
 
! 
! peak name 3dC1286
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36000.000000
! from proton shift 4.138000
! to proton shift 2.876500
! from heavyatom shift 59.870000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1286
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name ha) (resid 55 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1288
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 106000.000000
! from proton shift 3.926000
! to proton shift 1.010500
! from heavyatom shift 58.910000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1288
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name ha) (resid 50 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC129
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 78400.000000
! from proton shift 2.332000
! to proton shift 2.541500
! from heavyatom shift 30.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 129
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn GLN and name hb*) (resid 37 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
    or (resid 9 and resn GLU and name hb*) (resid 9 and resn GLU and name hg*) 
 
! 
! peak name 3dC1293
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 134000.000000
! from proton shift 1.006000
! to proton shift 1.930500
! from heavyatom shift 16.461000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1293
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg2#) (resid 58 and resn ile and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1294
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49700.000000
! from proton shift 1.009000
! to proton shift 2.060500
! from heavyatom shift 16.498000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1294
! note degeneracy 31, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg2#) (resid 58 and resn ile and name hg12) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1295
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13100.000000
! from proton shift 1.003000
! to proton shift 2.850500
! from heavyatom shift 16.407000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1295
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg2#) (resid 61 and resn HIS and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1296
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 84700.000000
! from proton shift 1.005000
! to proton shift 3.748500
! from heavyatom shift 16.522000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1296
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg2#) (resid 58 and resn ile and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1297
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 8800.000000
! from proton shift 1.007000
! to proton shift 4.467500
! from heavyatom shift 16.372000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1297
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg2#) (resid 55 and resn asn and name ha) 4.150000 2.350000 2.350000 
    or (resid 58 and resn ile and name hg2#) (resid 67 and resn asn and name ha) 
 
! 
! peak name 3dC130
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 60200.000000
! from proton shift 2.343000
! to proton shift 2.624500
! from heavyatom shift 30.355000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 130
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn GLN and name hb*) (resid 37 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1302
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49300.000000
! from proton shift 2.094000
! to proton shift 4.127500
! from heavyatom shift 37.463000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1302
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hb) (resid 41 and resn arg and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1305
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 62600.000000
! from proton shift 2.096000
! to proton shift 0.808500
! from heavyatom shift 37.387000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1305
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hb) (resid 44 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1306
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 2.096000
! to proton shift 0.850500
! from heavyatom shift 37.328000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1306
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hb) (resid 44 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1307
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 109000.000000
! from proton shift 3.540000
! to proton shift 0.848500
! from heavyatom shift 64.713000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1307
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name ha) (resid 44 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1308
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 53800.000000
! from proton shift 3.529000
! to proton shift 0.806500
! from heavyatom shift 64.589000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1308
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name ha) (resid 44 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1309
! bounds 3.300000 1.800000
! likelihood 0.920000
! intensity 60400.000000
! from proton shift 0.851000
! to proton shift 0.711500
! from heavyatom shift 17.820000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1309
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg2#) (resid 81 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
 
! 
! peak name 3dC131
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 39500.000000
! from proton shift 2.073000
! to proton shift 2.627500
! from heavyatom shift 30.351000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 131
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn GLN and name hb*) (resid 37 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
    or (resid 9 and resn GLU and name hb*) (resid 9 and resn GLU and name hg*) 
 
! 
! peak name 3dC132
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 59500.000000
! from proton shift 2.080000
! to proton shift 2.544500
! from heavyatom shift 30.444000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 132
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn GLN and name hb*) (resid 37 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
    or (resid 9 and resn GLU and name hb*) (resid 9 and resn GLU and name hg*) 
 
! 
! peak name 3dC134
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 43600.000000
! from proton shift 2.091000
! to proton shift 2.286500
! from heavyatom shift 34.592000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 134
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 43 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1346
! bounds 2.700000 1.800000
! likelihood 0.960000
! intensity 127000.000000
! from proton shift 0.925000
! to proton shift 1.298500
! from heavyatom shift 17.588000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1346
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hg2#) (resid 73 and resn LEU and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC1347
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29200.000000
! from proton shift 0.913000
! to proton shift 1.347500
! from heavyatom shift 14.275000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1347
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hd*) (resid 71 and resn thr and name hg2#) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1350
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 85600.000000
! from proton shift 4.200000
! to proton shift 1.748500
! from heavyatom shift 57.616000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1350
! note degeneracy 126, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name ha) (resid 73 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1354
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 21600.000000
! from proton shift 1.882000
! to proton shift 3.595500
! from heavyatom shift 41.367000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1354
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hb*) (resid 5 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
    or (resid 10 and resn LEU and name hb*) (resid 7 and resn val and name ha) 
 
! 
! peak name 3dC1356
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29200.000000
! from proton shift 3.594000
! to proton shift 0.817500
! from heavyatom shift 67.804000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1356
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name ha) (resid 29 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1357
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33700.000000
! from proton shift 2.012000
! to proton shift 4.029500
! from heavyatom shift 41.314000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1357
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn LEU and name hb*) (resid 31 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1358
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83300.000000
! from proton shift 3.930000
! to proton shift 2.144500
! from heavyatom shift 59.331000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1358
! note degeneracy 66, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name ha) (resid 8 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC136
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34400.000000
! from proton shift 2.097000
! to proton shift 3.782500
! from heavyatom shift 34.657000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 136
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 43 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1360
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 32000.000000
! from proton shift 3.726000
! to proton shift 1.650500
! from heavyatom shift 57.716000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1360
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn leu and name ha) (resid 13 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1364
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34600.000000
! from proton shift 4.343000
! to proton shift 2.775500
! from heavyatom shift 62.024000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1364
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn phe and name ha) (resid 51 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 48 and resn phe and name ha) (resid 52 and resn LYS and name he*) 
 
! 
! peak name 3dC1365
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 30200.000000
! from proton shift 4.341000
! to proton shift 2.757500
! from heavyatom shift 62.010000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1365
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn phe and name ha) (resid 51 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 48 and resn phe and name ha) (resid 52 and resn LYS and name he*) 
 
! 
! peak name 3dC1366
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 26600.000000
! from proton shift 4.337000
! to proton shift 2.740500
! from heavyatom shift 62.059000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1366
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn phe and name ha) (resid 52 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1367
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 68300.000000
! from proton shift 4.323000
! to proton shift 2.104500
! from heavyatom shift 58.715000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1367
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name ha) (resid 49 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC137
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29700.000000
! from proton shift 2.107000
! to proton shift 1.559500
! from heavyatom shift 34.639000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 137
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 43 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1370
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 20600.000000
! from proton shift 0.651000
! to proton shift 4.099500
! from heavyatom shift 20.812000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1370
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 47 and resn ser and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1371
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 36900.000000
! from proton shift 3.851000
! to proton shift 1.199500
! from heavyatom shift 58.335000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1371
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name ha) (resid 7 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1372
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 43300.000000
! from proton shift 3.855000
! to proton shift 1.015500
! from heavyatom shift 58.329000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1372
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name ha) (resid 7 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1374
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 24200.000000
! from proton shift 0.650000
! to proton shift 2.091500
! from heavyatom shift 20.757000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1374
! note degeneracy 29, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 37 and resn GLN and name hb*) 3.650000 1.850000 1.850000 
    or (resid 35 and resn VAL and name hg*) (resid 43 and resn GLN and name hg*) 
 
! 
! peak name 3dC1376
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17800.000000
! from proton shift 2.108000
! to proton shift 1.301500
! from heavyatom shift 34.733000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1376
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 38 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1377
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 123000.000000
! from proton shift 3.785000
! to proton shift 1.298500
! from heavyatom shift 58.989000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1377
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name ha) (resid 38 and resn ala and name hb#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1378
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 64800.000000
! from proton shift 3.787000
! to proton shift 1.435500
! from heavyatom shift 58.975000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1378
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name ha) (resid 46 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1379
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15400.000000
! from proton shift 4.202000
! to proton shift 2.428500
! from heavyatom shift 54.329000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1379
! note degeneracy 51, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name ha) (resid 49 and resn GLU and name hg*) 3.900000 2.100000 2.100000 
    or (resid 46 and resn ala and name ha) (resid 50 and resn LEU and name hb*) 
 
! 
! peak name 3dC1382
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 28100.000000
! from proton shift 3.849000
! to proton shift 0.680500
! from heavyatom shift 58.417000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1382
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name ha) (resid 29 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1384
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 31000.000000
! from proton shift 2.091000
! to proton shift 0.638500
! from heavyatom shift 34.681000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1384
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 4 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 43 and resn GLN and name hg*) (resid 35 and resn VAL and name hg*) 
    or (resid 43 and resn GLN and name hg*) (resid 81 and resn leu and name hg) 
 
! 
! peak name 3dC1385
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 31000.000000
! from proton shift 3.533000
! to proton shift 0.710500
! from heavyatom shift 64.609000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1385
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name ha) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1386
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 15300.000000
! from proton shift 2.079000
! to proton shift 0.680500
! from heavyatom shift 37.175000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1386
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hb) (resid 83 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1387
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38900.000000
! from proton shift 3.387000
! to proton shift 1.298500
! from heavyatom shift 67.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1387
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name ha) (resid 38 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1388
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 73800.000000
! from proton shift 3.387000
! to proton shift 1.437500
! from heavyatom shift 67.598000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1388
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name ha) (resid 46 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC139
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 110000.000000
! from proton shift 2.054000
! to proton shift 1.002500
! from heavyatom shift 38.690000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 139
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hb) (resid 54 and resn ile and name hd*) 2.500000 0.700000 0.700000 
    or (resid 54 and resn ile and name hb) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dC1391
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 39500.000000
! from proton shift 3.843000
! to proton shift 2.068500
! from heavyatom shift 58.429000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1391
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name ha) (resid 29 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1392
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16500.000000
! from proton shift 0.647000
! to proton shift 2.298500
! from heavyatom shift 20.830000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1392
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 43 and resn GLN and name hb*) 4.150000 2.350000 2.350000 
    or (resid 35 and resn VAL and name hg*) (resid 77 and resn val and name hb) 
 
! 
! peak name 3dC1393
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16200.000000
! from proton shift 4.300000
! to proton shift 1.766500
! from heavyatom shift 58.747000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1393
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name ha) (resid 50 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1394
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 47000.000000
! from proton shift 5.022000
! to proton shift 3.393500
! from heavyatom shift 53.130000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1394
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name ha) (resid 62 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1395
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11100.000000
! from proton shift 4.085000
! to proton shift 1.699500
! from heavyatom shift 47.266000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1395
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 82 and resn GLY and name ha*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
    or (resid 82 and resn GLY and name ha*) (resid 83 and resn LEU and name hb*) 
 
! 
! peak name 3dC1398
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25400.000000
! from proton shift 2.795000
! to proton shift 4.518500
! from heavyatom shift 40.241000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1398
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn ASP and name hb*) (resid 38 and resn ala and name ha) 3.400000 1.600000 1.600000 
    or (resid 56 and resn ASP and name hb*) (resid 56 and resn asp and name ha) 
 
! 
! peak name 3dC1399
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34100.000000
! from proton shift 0.643000
! to proton shift 4.124500
! from heavyatom shift 20.828000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1399
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 32 and resn leu and name ha) 3.650000 1.850000 1.850000 
    or (resid 35 and resn VAL and name hg*) (resid 34 and resn leu and name ha) 
 
! 
! peak name 3dC14
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 45900.000000
! from proton shift 3.533000
! to proton shift 2.099500
! from heavyatom shift 64.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 14
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name ha) (resid 44 and resn ile and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC140
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 37000.000000
! from proton shift 2.046000
! to proton shift 0.908500
! from heavyatom shift 38.604000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 140
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hb) (resid 54 and resn ile and name hg12) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1400
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 120000.000000
! from proton shift 1.303000
! to proton shift 3.784500
! from heavyatom shift 19.609000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1400
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hb#) (resid 43 and resn gln and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1402
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25600.000000
! from proton shift 2.771000
! to proton shift 4.341500
! from heavyatom shift 37.516000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1402
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn ASN and name hb*) (resid 48 and resn phe and name ha) 3.400000 1.600000 1.600000 
    or (resid 51 and resn ASN and name hb*) (resid 49 and resn glu and name ha) 
 
! 
! peak name 3dC1404
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32000.000000
! from proton shift 4.261000
! to proton shift 3.346500
! from heavyatom shift 62.878000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1404
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn tyr and name ha) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1406
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13700.000000
! from proton shift 3.510000
! to proton shift 4.170500
! from heavyatom shift 66.405000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1406
! note degeneracy 50, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name ha) (resid 4 and resn ile and name ha) 3.900000 2.100000 2.100000 
    or (resid 77 and resn val and name ha) (resid 74 and resn lys and name ha) 
    or (resid 77 and resn val and name ha) (resid 80 and resn ala and name ha) 
 
! 
! peak name 3dC1407
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12700.000000
! from proton shift 3.523000
! to proton shift 4.184500
! from heavyatom shift 66.385000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1407
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name ha) (resid 73 and resn leu and name ha) 3.900000 2.100000 2.100000 
    or (resid 77 and resn val and name ha) (resid 74 and resn lys and name ha) 
    or (resid 77 and resn val and name ha) (resid 80 and resn ala and name ha) 
 
! 
! peak name 3dC1408
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 4.299000
! to proton shift 1.253500
! from heavyatom shift 68.449000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1408
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hb) (resid 78 and resn thr and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC141
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20600.000000
! from proton shift 2.050000
! to proton shift 3.672500
! from heavyatom shift 38.767000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 141
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hb) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1414
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 46500.000000
! from proton shift 1.256000
! to proton shift 1.685500
! from heavyatom shift 21.774000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1414
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hg2#) (resid 81 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
    or (resid 78 and resn thr and name hg2#) (resid 83 and resn LEU and name hb*) 
 
! 
! peak name 3dC1416
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 31400.000000
! from proton shift 1.260000
! to proton shift 2.089500
! from heavyatom shift 21.577000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1416
! note degeneracy 58, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hg2#) (resid 74 and resn LYS and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1417
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20800.000000
! from proton shift 1.349000
! to proton shift 2.521500
! from heavyatom shift 21.635000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1417
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hg2#) (resid 68 and resn GLN and name hg*) 3.650000 1.850000 1.850000 
    or (resid 71 and resn thr and name hg2#) (resid 75 and resn GLU and name hg*) 
 
! 
! peak name 3dC1418
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 21000.000000
! from proton shift 1.343000
! to proton shift 2.537500
! from heavyatom shift 21.565000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1418
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hg2#) (resid 68 and resn GLN and name hg*) 3.650000 1.850000 1.850000 
    or (resid 71 and resn thr and name hg2#) (resid 75 and resn GLU and name hg*) 
 
! 
! peak name 3dC1421
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 34000.000000
! from proton shift 1.345000
! to proton shift 2.991500
! from heavyatom shift 21.673000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1421
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 63 and resn thr and name hg2#) (resid 61 and resn HIS and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1424
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 59500.000000
! from proton shift 1.353000
! to proton shift 4.469500
! from heavyatom shift 21.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1424
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 63 and resn thr and name hg2#) (resid 63 and resn thr and name hb) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1425
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 53500.000000
! from proton shift 1.251000
! to proton shift 1.634500
! from heavyatom shift 21.733000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1425
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hg2#) (resid 83 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
 
! 
! peak name 3dC1426
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 32400.000000
! from proton shift 3.713000
! to proton shift 1.677500
! from heavyatom shift 57.740000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1426
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn leu and name ha) (resid 13 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1427
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 78700.000000
! from proton shift 1.075000
! to proton shift 1.299500
! from heavyatom shift 23.422000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1427
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 73 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
 
! 
! peak name 3dC143
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 56300.000000
! from proton shift 1.878000
! to proton shift 0.847500
! from heavyatom shift 41.428000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 143
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hb*) (resid 10 and resn leu and name hg) 2.800000 1.000000 1.000000 
    or (resid 10 and resn LEU and name hb*) (resid 70 and resn LEU and name hd*) 
 
! 
! peak name 3dC1430
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 70200.000000
! from proton shift 3.931000
! to proton shift 1.899500
! from heavyatom shift 59.860000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1430
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name ha) (resid 11 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1431
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 71700.000000
! from proton shift 3.932000
! to proton shift 1.914500
! from heavyatom shift 59.846000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1431
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name ha) (resid 11 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1432
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 65400.000000
! from proton shift 3.931000
! to proton shift 1.703500
! from heavyatom shift 59.929000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1432
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name ha) (resid 11 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1434
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 66900.000000
! from proton shift 4.140000
! to proton shift 3.053500
! from heavyatom shift 60.074000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1434
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name ha) (resid 55 and resn ASN and name hb*) 2.550000 0.750000 0.750000 
    or (resid 25 and resn tyr and name ha) (resid 25 and resn TYR and name hb*) 
 
! 
! peak name 3dC1435
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 31600.000000
! from proton shift 4.139000
! to proton shift 2.894500
! from heavyatom shift 59.974000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1435
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name ha) (resid 55 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1436
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 4.470000
! to proton shift 1.344500
! from heavyatom shift 68.449000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1436
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 63 and resn thr and name hb) (resid 63 and resn thr and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1437
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22800.000000
! from proton shift 1.199000
! to proton shift 3.854500
! from heavyatom shift 24.297000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1437
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 29 and resn leu and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1438
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 73600.000000
! from proton shift 1.200000
! to proton shift 2.852500
! from heavyatom shift 24.181000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1438
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 11 and resn LYS and name he*) 2.800000 1.000000 1.000000 
    or (resid 7 and resn VAL and name hg*) (resid 33 and resn ASP and name hb*) 
 
! 
! peak name 3dC1439
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32800.000000
! from proton shift 1.209000
! to proton shift 2.368500
! from heavyatom shift 24.268000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1439
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 32 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC144
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 48300.000000
! from proton shift 1.881000
! to proton shift 0.872500
! from heavyatom shift 41.412000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 144
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hb*) (resid 10 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 10 and resn LEU and name hb*) (resid 70 and resn LEU and name hd*) 
 
! 
! peak name 3dC1440
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 1.192000
! to proton shift 2.095500
! from heavyatom shift 24.288000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1440
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 7 and resn val and name hb) 2.500000 0.700000 0.700000 
    or (resid 7 and resn VAL and name hg*) (resid 29 and resn LEU and name hb*) 
 
! 
! peak name 3dC1441
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 1.204000
! to proton shift 1.743500
! from heavyatom shift 24.280000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1441
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 32 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
 
! 
! peak name 3dC1445
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 68500.000000
! from proton shift 1.855000
! to proton shift 4.036500
! from heavyatom shift 30.481000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1445
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn GLU and name hb*) (resid 60 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1447
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 319000.000000
! from proton shift 2.047000
! to proton shift 1.868500
! from heavyatom shift 29.654000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1447
! note degeneracy 119, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn ARG and name hb*) (resid 41 and resn ARG and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC145
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27300.000000
! from proton shift 1.874000
! to proton shift 3.713500
! from heavyatom shift 41.451000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 145
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hb*) (resid 10 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1451
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 2.249000
! to proton shift 2.539500
! from heavyatom shift 27.837000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1451
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 68 and resn GLN and name hb*) (resid 68 and resn GLN and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1452
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27100.000000
! from proton shift 2.711000
! to proton shift 2.575500
! from heavyatom shift 28.398000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1452
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn GLN and name hb*) (resid 31 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1459
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36600.000000
! from proton shift 2.062000
! to proton shift 1.447500
! from heavyatom shift 29.742000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1459
! note degeneracy 84, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn GLU and name hb*) (resid 13 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC147
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27400.000000
! from proton shift 3.602000
! to proton shift 2.089500
! from heavyatom shift 67.754000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 147
! note degeneracy 29, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name ha) (resid 7 and resn val and name hb) 3.400000 1.600000 1.600000 
    or (resid 7 and resn val and name ha) (resid 9 and resn GLU and name hb*) 
    or (resid 7 and resn val and name ha) (resid 29 and resn LEU and name hb*) 
 
! 
! peak name 3dC1470
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 187000.000000
! from proton shift 1.690000
! to proton shift 1.881500
! from heavyatom shift 30.033000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1470
! note degeneracy 72, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn LYS and name hd*) (resid 52 and resn LYS and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1472
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83200.000000
! from proton shift 1.115000
! to proton shift 1.302500
! from heavyatom shift 28.169000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1472
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name hg) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1473
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27300.000000
! from proton shift 1.142000
! to proton shift 1.954500
! from heavyatom shift 27.842000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1473
! note degeneracy 50, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hg12) (resid 21 and resn ile and name hb) 3.400000 1.600000 1.600000 

! 
! peak name 3dC1475
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 62900.000000
! from proton shift 1.024000
! to proton shift 2.431500
! from heavyatom shift 28.322000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1475
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hg) (resid 50 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1479
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13800.000000
! from proton shift 3.393000
! to proton shift 4.506500
! from heavyatom shift 67.442000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1479
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name ha) (resid 38 and resn ala and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC148
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 94900.000000
! from proton shift 3.589000
! to proton shift 1.200500
! from heavyatom shift 67.744000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 148
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name ha) (resid 7 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1482
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14700.000000
! from proton shift 3.393000
! to proton shift 4.126500
! from heavyatom shift 67.453000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1482
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name ha) (resid 32 and resn leu and name ha) 3.900000 2.100000 2.100000 
    or (resid 35 and resn val and name ha) (resid 34 and resn leu and name ha) 
 
! 
! peak name 3dC1488
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22500.000000
! from proton shift 3.676000
! to proton shift 3.349500
! from heavyatom shift 66.697000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1488
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name ha) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC149
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 119000.000000
! from proton shift 3.592000
! to proton shift 1.010500
! from heavyatom shift 67.609000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 149
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name ha) (resid 7 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1490
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27900.000000
! from proton shift 3.662000
! to proton shift 2.035500
! from heavyatom shift 66.875000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1490
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name ha) (resid 53 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC15
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36000.000000
! from proton shift 3.533000
! to proton shift 1.596500
! from heavyatom shift 64.591000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 15
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name ha) (resid 44 and resn ile and name hg11) 3.650000 1.850000 1.850000 
    or (resid 44 and resn ile and name ha) (resid 45 and resn ala and name hb#) 
 
! 
! peak name 3dC150
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 57700.000000
! from proton shift 4.219000
! to proton shift 1.858500
! from heavyatom shift 57.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 150
! note degeneracy 102, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn glu and name ha) (resid 84 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC151
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 72100.000000
! from proton shift 3.689000
! to proton shift 0.732500
! from heavyatom shift 66.867000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 151
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name ha) (resid 54 and resn ile and name hg11) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1510
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 47100.000000
! from proton shift 3.748000
! to proton shift 1.630500
! from heavyatom shift 67.227000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1510
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name ha) (resid 83 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1511
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 41600.000000
! from proton shift 3.751000
! to proton shift 1.688500
! from heavyatom shift 67.057000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1511
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name ha) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 78 and resn thr and name ha) (resid 83 and resn LEU and name hb*) 
 
! 
! peak name 3dC1513
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15100.000000
! from proton shift 3.748000
! to proton shift 1.803500
! from heavyatom shift 67.183000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1513
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name ha) (resid 81 and resn LEU and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1517
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11700.000000
! from proton shift 3.759000
! to proton shift 4.088500
! from heavyatom shift 67.226000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1517
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name ha) (resid 47 and resn ser and name ha) 3.900000 2.100000 2.100000 
    or (resid 78 and resn thr and name ha) (resid 75 and resn glu and name ha) 
    or (resid 78 and resn thr and name ha) (resid 82 and resn GLY and name ha*) 
 
! 
! peak name 3dC1519
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11200.000000
! from proton shift 4.617000
! to proton shift 3.408500
! from heavyatom shift 65.527000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1519
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn pro and name ha) (resid 62 and resn PRO and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1522
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 3.534000
! to proton shift 0.850500
! from heavyatom shift 64.636000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1522
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name ha) (resid 44 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1526
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 16900.000000
! from proton shift 4.205000
! to proton shift 2.866500
! from heavyatom shift 63.759000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1526
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 64 and resn SER and name hb*) (resid 67 and resn ASN and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1528
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 40000.000000
! from proton shift 4.255000
! to proton shift 3.142500
! from heavyatom shift 62.878000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1528
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn tyr and name ha) (resid 57 and resn TYR and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1529
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 122000.000000
! from proton shift 3.570000
! to proton shift 4.092500
! from heavyatom shift 62.631000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1529
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn SER and name hb*) (resid 47 and resn ser and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC153
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14200.000000
! from proton shift 4.516000
! to proton shift 3.696500
! from heavyatom shift 62.943000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 153
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn pro and name ha) (resid 20 and resn PRO and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1530
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35100.000000
! from proton shift 3.567000
! to proton shift 1.066500
! from heavyatom shift 62.685000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1530
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn SER and name hb*) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 47 and resn SER and name hb*) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC1532
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 92000.000000
! from proton shift 4.159000
! to proton shift 1.466500
! from heavyatom shift 59.655000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1532
! note degeneracy 120, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name ha) (resid 4 and resn ile and name hb) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1533
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 84400.000000
! from proton shift 4.163000
! to proton shift 1.484500
! from heavyatom shift 59.648000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1533
! note degeneracy 112, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name ha) (resid 4 and resn ile and name hb) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1536
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 47900.000000
! from proton shift 4.394000
! to proton shift 4.198500
! from heavyatom shift 58.844000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1536
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 64 and resn ser and name ha) (resid 64 and resn SER and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC154
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73200.000000
! from proton shift 4.523000
! to proton shift 2.369500
! from heavyatom shift 62.844000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 154
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn pro and name ha) (resid 20 and resn PRO and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1546
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14600.000000
! from proton shift 4.448000
! to proton shift 0.864500
! from heavyatom shift 54.972000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1546
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name ha) (resid 10 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
    or (resid 69 and resn ala and name ha) (resid 70 and resn LEU and name hd*) 
 
! 
! peak name 3dC155
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 26900.000000
! from proton shift 4.528000
! to proton shift 2.053500
! from heavyatom shift 62.953000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 155
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn pro and name ha) (resid 20 and resn PRO and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1556
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 60600.000000
! from proton shift 1.018000
! to proton shift 1.741500
! from heavyatom shift 14.371000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1556
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 50 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
    or (resid 54 and resn ile and name hd*) (resid 73 and resn LEU and name hb*) 
 
! 
! peak name 3dC156
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42100.000000
! from proton shift 4.519000
! to proton shift 1.859500
! from heavyatom shift 62.877000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 156
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn pro and name ha) (resid 20 and resn PRO and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1560
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 24300.000000
! from proton shift 1.025000
! to proton shift 2.429500
! from heavyatom shift 14.401000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1560
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 50 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 54 and resn ile and name hd*) (resid 74 and resn LYS and name hb*) 
 
! 
! peak name 3dC1562
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17600.000000
! from proton shift 0.914000
! to proton shift 2.885500
! from heavyatom shift 14.281000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1562
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hd*) (resid 55 and resn ASN and name hb*) 3.650000 1.850000 1.850000 
    or (resid 58 and resn ile and name hd*) (resid 67 and resn ASN and name hb*) 
 
! 
! peak name 3dC1563
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15600.000000
! from proton shift 0.911000
! to proton shift 2.860500
! from heavyatom shift 14.203000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1563
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hd*) (resid 55 and resn ASN and name hb*) 4.150000 2.350000 2.350000 
    or (resid 58 and resn ile and name hd*) (resid 61 and resn HIS and name hb*) 
 
! 
! peak name 3dC1564
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15100.000000
! from proton shift 0.915000
! to proton shift 3.052500
! from heavyatom shift 14.342000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1564
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hd*) (resid 55 and resn ASN and name hb*) 4.150000 2.350000 2.350000 
    or (resid 58 and resn ile and name hd*) (resid 67 and resn ASN and name hb*) 
 
! 
! peak name 3dC1567
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 31000.000000
! from proton shift 1.020000
! to proton shift 4.181500
! from heavyatom shift 14.377000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1567
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 70 and resn leu and name ha) 3.650000 1.850000 1.850000 
    or (resid 54 and resn ile and name hd*) (resid 74 and resn lys and name ha) 
 
! 
! peak name 3dC1568
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 26800.000000
! from proton shift 1.023000
! to proton shift 4.417500
! from heavyatom shift 14.344000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1568
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 51 and resn asn and name ha) 3.650000 1.850000 1.850000 
    or (resid 54 and resn ile and name hd*) (resid 71 and resn thr and name ha) 
 
! 
! peak name 3dC157
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23700.000000
! from proton shift 4.518000
! to proton shift 2.074500
! from heavyatom shift 62.813000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 157
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn pro and name ha) (resid 20 and resn PRO and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1570
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 157000.000000
! from proton shift 0.625000
! to proton shift 0.930500
! from heavyatom shift 13.944000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1570
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hd*) (resid 4 and resn ile and name hg2#) 2.750000 0.950000 0.950000 
    or (resid 4 and resn ile and name hd*) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC1573
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22700.000000
! from proton shift 4.420000
! to proton shift 2.412500
! from heavyatom shift 54.991000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1573
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name ha) (resid 72 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC158
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42000.000000
! from proton shift 4.025000
! to proton shift 2.708500
! from heavyatom shift 58.781000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 158
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn gln and name ha) (resid 76 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1582
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11500.000000
! from proton shift 4.585000
! to proton shift 1.869500
! from heavyatom shift 57.130000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1582
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn asp and name ha) (resid 41 and resn ARG and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1583
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 19000.000000
! from proton shift 4.595000
! to proton shift 1.298500
! from heavyatom shift 56.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1583
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn asp and name ha) (resid 38 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1584
! bounds 5.000000 1.800000
! likelihood 0.930000
! intensity 18400.000000
! from proton shift 4.460000
! to proton shift 1.180500
! from heavyatom shift 56.421000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1584
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 67 and resn asn and name ha) (resid 58 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1586
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33400.000000
! from proton shift 1.572000
! to proton shift 3.219500
! from heavyatom shift 18.703000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1586
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hb#) (resid 48 and resn PHE and name hb*) 3.650000 1.850000 1.850000 
    or (resid 45 and resn ala and name hb#) (resid 48 and resn PHE and name hb*) 
 
! 
! peak name 3dC1587
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 45900.000000
! from proton shift 0.704000
! to proton shift 3.554500
! from heavyatom shift 22.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1587
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn LEU and name hd*) (resid 44 and resn ile and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1588
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 0.677000
! to proton shift 1.621500
! from heavyatom shift 22.762000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1588
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn LEU and name hd*) (resid 83 and resn LEU and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC159
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 47300.000000
! from proton shift 4.030000
! to proton shift 2.603500
! from heavyatom shift 58.837000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 159
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn gln and name ha) (resid 76 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1594
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14700.000000
! from proton shift 3.707000
! to proton shift 4.031500
! from heavyatom shift 58.558000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1594
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn gln and name ha) (resid 27 and resn GLY and name ha*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1595
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 61000.000000
! from proton shift 4.317000
! to proton shift 1.448500
! from heavyatom shift 52.884000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1595
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 23 and resn ala and name ha) (resid 23 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1599
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 50300.000000
! from proton shift 1.019000
! to proton shift 2.857500
! from heavyatom shift 21.881000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1599
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 11 and resn LYS and name he*) 2.800000 1.000000 1.000000 
    or (resid 7 and resn VAL and name hg*) (resid 33 and resn ASP and name hb*) 
 
! 
! peak name 3dC16
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38500.000000
! from proton shift 3.530000
! to proton shift 1.242500
! from heavyatom shift 64.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 16
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name ha) (resid 44 and resn ile and name hg12) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1609
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 115000.000000
! from proton shift 0.865000
! to proton shift 2.094500
! from heavyatom shift 17.685000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1609
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg2#) (resid 44 and resn ile and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1612
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 244000.000000
! from proton shift 1.451000
! to proton shift 4.185500
! from heavyatom shift 18.337000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1612
! note degeneracy 130, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name hb#) (resid 46 and resn ala and name ha) 2.500000 0.700000 0.700000 
    or (resid 80 and resn ala and name hb#) (resid 80 and resn ala and name ha) 
 
! 
! peak name 3dC1613
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 57300.000000
! from proton shift 1.462000
! to proton shift 4.419500
! from heavyatom shift 18.332000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1613
! note degeneracy 85, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name hb#) (resid 69 and resn ala and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1620
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34500.000000
! from proton shift 4.429000
! to proton shift 2.253500
! from heavyatom shift 55.003000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1620
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name ha) (resid 68 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 69 and resn ala and name ha) (resid 72 and resn GLN and name hb*) 
 
! 
! peak name 3dC1624
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38400.000000
! from proton shift 1.010000
! to proton shift 1.178500
! from heavyatom shift 16.662000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1624
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg2#) (resid 58 and resn ile and name hg11) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1630
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13000.000000
! from proton shift 0.926000
! to proton shift 2.470500
! from heavyatom shift 17.544000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1630
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hg2#) (resid 35 and resn val and name hb) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1631
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 68800.000000
! from proton shift 4.767000
! to proton shift 3.945500
! from heavyatom shift 53.783000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1631
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn lys and name ha) (resid 20 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1633
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35500.000000
! from proton shift 3.320000
! to proton shift 4.127500
! from heavyatom shift 43.359000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1633
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn ARG and name hd*) (resid 41 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1638
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38000.000000
! from proton shift 1.304000
! to proton shift 3.387500
! from heavyatom shift 19.688000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1638
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hb#) (resid 35 and resn val and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1639
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 13200.000000
! from proton shift 0.997000
! to proton shift 2.462500
! from heavyatom shift 16.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1639
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg2#) (resid 68 and resn GLN and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC164
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17600.000000
! from proton shift 3.636000
! to proton shift 2.478500
! from heavyatom shift 50.260000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 164
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1648
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 66200.000000
! from proton shift 4.033000
! to proton shift 2.018500
! from heavyatom shift 57.153000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1648
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn gln and name ha) (resid 31 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
    or (resid 31 and resn gln and name ha) (resid 34 and resn LEU and name hb*) 
 
! 
! peak name 3dC1649
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35500.000000
! from proton shift 4.038000
! to proton shift 2.149500
! from heavyatom shift 57.196000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1649
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn glu and name ha) (resid 60 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC165
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 41100.000000
! from proton shift 3.643000
! to proton shift 2.107500
! from heavyatom shift 50.424000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 165
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1651
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17800.000000
! from proton shift 2.108000
! to proton shift 1.301500
! from heavyatom shift 34.733000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1651
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 38 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1652
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 39200.000000
! from proton shift 2.655000
! to proton shift 0.640500
! from heavyatom shift 34.626000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1652
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 35 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1655
! bounds 6.000000 1.800000
! likelihood 0.900000
! intensity 10800.000000
! from proton shift 1.014000
! to proton shift 3.593500
! from heavyatom shift 14.338000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1655
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 5 and resn PHE and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1656
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25600.000000
! from proton shift 1.014000
! to proton shift 3.679500
! from heavyatom shift 14.484000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1656
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 54 and resn ile and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1658
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 21100.000000
! from proton shift 1.027000
! to proton shift 1.297500
! from heavyatom shift 14.197000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1658
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 73 and resn LEU and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC166
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49100.000000
! from proton shift 3.654000
! to proton shift 2.049500
! from heavyatom shift 50.528000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 166
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1661
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 50900.000000
! from proton shift 0.808000
! to proton shift 2.091500
! from heavyatom shift 12.226000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1661
! note degeneracy 58, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hd*) (resid 44 and resn ile and name hb) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1666
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16800.000000
! from proton shift 1.016000
! to proton shift 1.305500
! from heavyatom shift 14.330000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1666
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 73 and resn LEU and name hd*) 4.400000 2.600000 2.600000 
 
! 
! peak name 3dC1667
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 13700.000000
! from proton shift 0.982000
! to proton shift 2.636500
! from heavyatom shift 18.209000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1667
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 72 and resn GLN and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1672
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 67700.000000
! from proton shift 1.032000
! to proton shift 0.730500
! from heavyatom shift 14.430000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1672
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 28 and resn ile and name hd*) 3.050000 1.250000 1.250000 
    or (resid 54 and resn ile and name hd*) (resid 54 and resn ile and name hg11) 
 
! 
! peak name 3dC1677
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 13500.000000
! from proton shift 0.999000
! to proton shift 2.641500
! from heavyatom shift 18.064000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1677
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 72 and resn GLN and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1681
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 237000.000000
! from proton shift 2.461000
! to proton shift 2.239500
! from heavyatom shift 34.109000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1681
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 68 and resn GLN and name hg*) (resid 68 and resn GLN and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1684
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 35500.000000
! from proton shift 0.732000
! to proton shift 3.363500
! from heavyatom shift 14.829000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1684
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hd*) (resid 57 and resn TYR and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1686
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 0.738000
! to proton shift 1.944500
! from heavyatom shift 14.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1686
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hd*) (resid 28 and resn ile and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1687
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 54900.000000
! from proton shift 1.939000
! to proton shift 1.527500
! from heavyatom shift 36.159000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1687
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn LYS and name hd*) (resid 19 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1688
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 53500.000000
! from proton shift 1.936000
! to proton shift 1.502500
! from heavyatom shift 36.178000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1688
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn LYS and name hd*) (resid 19 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1689
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 53600.000000
! from proton shift 0.720000
! to proton shift 0.867500
! from heavyatom shift 14.999000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1689
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hd*) (resid 70 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
 
! 
! peak name 3dC1690
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 67200.000000
! from proton shift 4.433000
! to proton shift 2.331500
! from heavyatom shift 56.593000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1690
! note degeneracy 65, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name ha) (resid 37 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1694
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 201000.000000
! from proton shift 0.837000
! to proton shift 1.931500
! from heavyatom shift 21.165000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1694
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn VAL and name hg*) (resid 16 and resn val and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1700
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 18600.000000
! from proton shift 2.319000
! to proton shift 0.632500
! from heavyatom shift 32.024000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1700
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hb) (resid 4 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 77 and resn val and name hb) (resid 35 and resn VAL and name hg*) 
 
! 
! peak name 3dC1701
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22800.000000
! from proton shift 1.088000
! to proton shift 1.624500
! from heavyatom shift 23.448000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1701
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 83 and resn LEU and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1703
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32400.000000
! from proton shift 4.391000
! to proton shift 0.633500
! from heavyatom shift 54.890000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1703
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name ha) (resid 81 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1704
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 26000.000000
! from proton shift 4.187000
! to proton shift 0.618500
! from heavyatom shift 54.904000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1704
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name ha) (resid 81 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1706
! bounds 3.300000 1.800000
! likelihood 0.940000
! intensity 52500.000000
! from proton shift 0.839000
! to proton shift 1.691500
! from heavyatom shift 21.179000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1706
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn VAL and name hg*) (resid 66 and resn ARG and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1707
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 30900.000000
! from proton shift 0.844000
! to proton shift 2.486500
! from heavyatom shift 21.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1707
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn VAL and name hg*) (resid 66 and resn ARG and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1712
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33400.000000
! from proton shift 0.635000
! to proton shift 4.130500
! from heavyatom shift 20.773000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1712
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 32 and resn leu and name ha) 3.650000 1.850000 1.850000 
    or (resid 35 and resn VAL and name hg*) (resid 34 and resn leu and name ha) 
 
! 
! peak name 3dC1715
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 39700.000000
! from proton shift 4.209000
! to proton shift 4.392500
! from heavyatom shift 63.753000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1715
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 64 and resn SER and name hb*) (resid 64 and resn ser and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1717
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 53200.000000
! from proton shift 0.712000
! to proton shift 1.516500
! from heavyatom shift 22.809000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1717
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn LEU and name hd*) (resid 80 and resn ala and name hb#) 3.050000 1.250000 1.250000 
    or (resid 81 and resn LEU and name hd*) (resid 81 and resn LEU and name hb*) 
 
! 
! peak name 3dC1727
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 96100.000000
! from proton shift 1.700000
! to proton shift 1.790500
! from heavyatom shift 41.406000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1727
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn LEU and name hb*) (resid 34 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC173
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 37800.000000
! from proton shift 4.371000
! to proton shift 1.795500
! from heavyatom shift 54.772000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 173
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name ha) (resid 81 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1732
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 69100.000000
! from proton shift 4.041000
! to proton shift 1.861500
! from heavyatom shift 57.137000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1732
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn glu and name ha) (resid 60 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1733
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 52700.000000
! from proton shift 4.037000
! to proton shift 1.896500
! from heavyatom shift 57.114000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1733
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn glu and name ha) (resid 60 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1734
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16100.000000
! from proton shift 4.756000
! to proton shift 1.296500
! from heavyatom shift 53.976000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1734
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn lys and name ha) (resid 38 and resn ala and name hb#) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1736
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 46500.000000
! from proton shift 1.338000
! to proton shift 0.849500
! from heavyatom shift 41.398000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1736
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hb*) (resid 10 and resn leu and name hg) 2.800000 1.000000 1.000000 
    or (resid 10 and resn LEU and name hb*) (resid 70 and resn LEU and name hd*) 
 
! 
! peak name 3dC174
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 52800.000000
! from proton shift 4.373000
! to proton shift 1.517500
! from heavyatom shift 54.798000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 174
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name ha) (resid 80 and resn ala and name hb#) 2.800000 1.000000 1.000000 
    or (resid 81 and resn leu and name ha) (resid 81 and resn LEU and name hb*) 
 
! 
! peak name 3dC1741
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13300.000000
! from proton shift 2.458000
! to proton shift 4.013500
! from heavyatom shift 33.794000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1741
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn GLN and name hg*) (resid 27 and resn GLY and name ha*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1746
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82600.000000
! from proton shift 4.643000
! to proton shift 2.856500
! from heavyatom shift 57.681000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1746
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name ha) (resid 33 and resn ASP and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1748
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 41400.000000
! from proton shift 0.879000
! to proton shift 1.326500
! from heavyatom shift 24.222000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1748
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hd*) (resid 10 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC175
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 139000.000000
! from proton shift 4.391000
! to proton shift 0.713500
! from heavyatom shift 54.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 175
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name ha) (resid 81 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1753
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 265000.000000
! from proton shift 1.025000
! to proton shift 0.904500
! from heavyatom shift 14.350000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1753
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hd*) (resid 54 and resn ile and name hg12) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1759
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 205000.000000
! from proton shift 1.045000
! to proton shift 0.641500
! from heavyatom shift 24.487000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1759
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 4 and resn ile and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC176
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 68500.000000
! from proton shift 5.016000
! to proton shift 3.641500
! from heavyatom shift 53.136000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 176
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name ha) (resid 62 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1760
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 88500.000000
! from proton shift 0.882000
! to proton shift 1.461500
! from heavyatom shift 24.095000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 1760
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hd*) (resid 13 and resn ARG and name hb*) 2.750000 0.950000 0.950000 
    or (resid 10 and resn LEU and name hd*) (resid 69 and resn ala and name hb#) 
 
! 
! peak name 3dC179
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14300.000000
! from proton shift 3.946000
! to proton shift 1.710500
! from heavyatom shift 50.963000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 179
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hd*) (resid 19 and resn LYS and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC18
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 53500.000000
! from proton shift 1.300000
! to proton shift 4.504500
! from heavyatom shift 19.575000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 18
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hb#) (resid 38 and resn ala and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC180
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 26300.000000
! from proton shift 3.380000
! to proton shift 5.020500
! from heavyatom shift 50.394000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 180
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn PRO and name hd*) (resid 61 and resn his and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC182
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 65400.000000
! from proton shift 1.305000
! to proton shift 3.122500
! from heavyatom shift 19.643000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 182
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hb#) (resid 42 and resn ASP and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC183
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 24000.000000
! from proton shift 1.305000
! to proton shift 2.321500
! from heavyatom shift 19.725000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 183
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hb#) (resid 37 and resn GLN and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC19
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 43000.000000
! from proton shift 1.294000
! to proton shift 2.646500
! from heavyatom shift 19.639000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 19
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hb#) (resid 43 and resn GLN and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC190
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27900.000000
! from proton shift 3.474000
! to proton shift 1.004500
! from heavyatom shift 65.990000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 190
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name ha) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC191
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23800.000000
! from proton shift 3.464000
! to proton shift 2.033500
! from heavyatom shift 66.169000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 191
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name ha) (resid 31 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC193
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 9130.000000
! from proton shift 4.185000
! to proton shift 3.782500
! from heavyatom shift 54.441000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 193
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name ha) (resid 43 and resn gln and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC194
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 151000.000000
! from proton shift 4.420000
! to proton shift 1.460500
! from heavyatom shift 54.967000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 194
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name ha) (resid 69 and resn ala and name hb#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC195
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35200.000000
! from proton shift 4.418000
! to proton shift 2.259500
! from heavyatom shift 55.079000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 195
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name ha) (resid 72 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC196
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 41100.000000
! from proton shift 4.423000
! to proton shift 2.458500
! from heavyatom shift 54.941000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 196
! note degeneracy 45, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name ha) (resid 72 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC2
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74700.000000
! from proton shift 3.674000
! to proton shift 0.999500
! from heavyatom shift 66.827000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 2
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name ha) (resid 54 and resn ile and name hd*) 2.800000 1.000000 1.000000 
    or (resid 54 and resn ile and name ha) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dC20
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 50500.000000
! from proton shift 1.301000
! to proton shift 1.544500
! from heavyatom shift 19.503000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 20
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hb#) (resid 43 and resn GLN and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC204
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 10800.000000
! from proton shift 4.506000
! to proton shift 2.096500
! from heavyatom shift 51.833000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 204
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name ha) (resid 43 and resn GLN and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC207
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 26900.000000
! from proton shift 2.753000
! to proton shift 4.152500
! from heavyatom shift 42.662000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 207
! note degeneracy 44, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn LYS and name he*) (resid 52 and resn lys and name ha) 3.400000 1.600000 1.600000 
    or (resid 13 and resn ARG and name hd*) (resid 13 and resn arg and name ha) 
 
! 
! peak name 3dC208
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49400.000000
! from proton shift 2.751000
! to proton shift 1.686500
! from heavyatom shift 42.666000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 208
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn ARG and name hd*) (resid 13 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
    or (resid 52 and resn LYS and name he*) (resid 52 and resn LYS and name hd*) 
 
! 
! peak name 3dC209
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42900.000000
! from proton shift 2.750000
! to proton shift 1.635500
! from heavyatom shift 42.546000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 209
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn ARG and name hd*) (resid 13 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC210
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 19300.000000
! from proton shift 2.748000
! to proton shift 1.874500
! from heavyatom shift 42.740000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 210
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn ARG and name hd*) (resid 13 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 52 and resn LYS and name he*) (resid 52 and resn LYS and name hb*) 
    or (resid 52 and resn LYS and name he*) (resid 52 and resn LYS and name hd*) 
 
! 
! peak name 3dC211
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 8630.000000
! from proton shift 2.747000
! to proton shift 0.886500
! from heavyatom shift 42.632000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 211
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn ARG and name hd*) (resid 10 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC215
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13000.000000
! from proton shift 2.660000
! to proton shift 1.062500
! from heavyatom shift 34.691000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 215
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 35 and resn VAL and name hg*) 4.150000 2.350000 2.350000 
    or (resid 43 and resn GLN and name hg*) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC216
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 65000.000000
! from proton shift 4.312000
! to proton shift 1.454500
! from heavyatom shift 52.958000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 216
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 23 and resn ala and name ha) (resid 23 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC217
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 18700.000000
! from proton shift 3.594000
! to proton shift 1.871500
! from heavyatom shift 67.716000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 217
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name ha) (resid 10 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC218
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 21400.000000
! from proton shift 3.594000
! to proton shift 4.672500
! from heavyatom shift 67.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 218
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name ha) (resid 6 and resn thr and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC219
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11000.000000
! from proton shift 4.182000
! to proton shift 2.122500
! from heavyatom shift 54.421000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 219
! note degeneracy 78, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name ha) (resid 49 and resn GLU and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC22
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 233000.000000
! from proton shift 0.642000
! to proton shift 1.059500
! from heavyatom shift 20.650000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 22
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 77 and resn VAL and name hg*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC227
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16300.000000
! from proton shift 3.583000
! to proton shift 2.343500
! from heavyatom shift 40.366000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 227
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 9 and resn GLU and name hb*) 3.900000 2.100000 2.100000 
    or (resid 5 and resn PHE and name hb*) (resid 32 and resn LEU and name hb*) 
 
! 
! peak name 3dC228
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13900.000000
! from proton shift 3.593000
! to proton shift 1.776500
! from heavyatom shift 40.365000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 228
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 50 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC23
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 127000.000000
! from proton shift 0.646000
! to proton shift 2.468500
! from heavyatom shift 20.754000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 23
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 35 and resn val and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC230
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22600.000000
! from proton shift 3.591000
! to proton shift 1.303500
! from heavyatom shift 40.314000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 230
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC231
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 10800.000000
! from proton shift 3.603000
! to proton shift 1.137500
! from heavyatom shift 40.301000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 231
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 32 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
    or (resid 5 and resn PHE and name hb*) (resid 73 and resn leu and name hg) 
 
! 
! peak name 3dC232
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 9290.000000
! from proton shift 3.613000
! to proton shift 1.051500
! from heavyatom shift 40.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 232
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 35 and resn VAL and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC233
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15100.000000
! from proton shift 3.602000
! to proton shift 0.994500
! from heavyatom shift 40.368000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 233
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 7 and resn VAL and name hg*) 4.150000 2.350000 2.350000 
    or (resid 5 and resn PHE and name hb*) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC234
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 9380.000000
! from proton shift 3.591000
! to proton shift 0.915500
! from heavyatom shift 40.234000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 234
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 4 and resn ile and name hg2#) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC235
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 8700.000000
! from proton shift 3.588000
! to proton shift 0.882500
! from heavyatom shift 40.252000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 235
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 10 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC239
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16200.000000
! from proton shift 2.776000
! to proton shift 4.010500
! from heavyatom shift 40.081000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 239
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn ASP and name hb*) (resid 31 and resn gln and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC24
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 67900.000000
! from proton shift 0.645000
! to proton shift 3.389500
! from heavyatom shift 20.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 24
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 35 and resn val and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC243
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 19700.000000
! from proton shift 2.807000
! to proton shift 4.579500
! from heavyatom shift 40.171000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 243
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn ASP and name hb*) (resid 42 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC244
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 24200.000000
! from proton shift 2.069000
! to proton shift 3.851500
! from heavyatom shift 40.430000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 244
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hb*) (resid 29 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC245
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 21200.000000
! from proton shift 1.425000
! to proton shift 3.858500
! from heavyatom shift 40.409000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 245
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hb*) (resid 29 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC246
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16700.000000
! from proton shift 1.427000
! to proton shift 3.700500
! from heavyatom shift 40.422000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 246
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hb*) (resid 26 and resn gln and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC247
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 60000.000000
! from proton shift 1.702000
! to proton shift 4.109500
! from heavyatom shift 41.187000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 247
! note degeneracy 63, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn LEU and name hb*) (resid 34 and resn leu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC248
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 54500.000000
! from proton shift 2.447000
! to proton shift 4.207500
! from heavyatom shift 41.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 248
! note degeneracy 78, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn LEU and name hb*) (resid 70 and resn leu and name ha) 2.550000 0.750000 0.750000 
    or (resid 73 and resn LEU and name hb*) (resid 73 and resn leu and name ha) 
 
! 
! peak name 3dC250
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 30800.000000
! from proton shift 2.426000
! to proton shift 4.116500
! from heavyatom shift 41.575000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 250
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn LEU and name hb*) (resid 47 and resn ser and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC251
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27700.000000
! from proton shift 1.705000
! to proton shift 4.026500
! from heavyatom shift 41.361000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 251
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn LEU and name hb*) (resid 31 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC252
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20200.000000
! from proton shift 1.466000
! to proton shift 3.924500
! from heavyatom shift 41.621000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 252
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC253
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36500.000000
! from proton shift 1.336000
! to proton shift 3.711500
! from heavyatom shift 41.292000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 253
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hb*) (resid 10 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC254
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23000.000000
! from proton shift 1.336000
! to proton shift 3.593500
! from heavyatom shift 41.464000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 254
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hb*) (resid 5 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
    or (resid 10 and resn LEU and name hb*) (resid 7 and resn val and name ha) 
 
! 
! peak name 3dC255
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 46200.000000
! from proton shift 1.751000
! to proton shift 1.118500
! from heavyatom shift 41.891000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 255
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn LEU and name hb*) (resid 73 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC256
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 65900.000000
! from proton shift 1.705000
! to proton shift 0.980500
! from heavyatom shift 41.317000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 256
! note degeneracy 45, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn LEU and name hb*) (resid 34 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 34 and resn LEU and name hb*) (resid 34 and resn leu and name hg) 
 
! 
! peak name 3dC258
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 54700.000000
! from proton shift 1.425000
! to proton shift 0.681500
! from heavyatom shift 40.427000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 258
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hb*) (resid 29 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC259
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 44900.000000
! from proton shift 1.431000
! to proton shift 0.813500
! from heavyatom shift 40.497000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 259
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hb*) (resid 29 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC26
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 30500.000000
! from proton shift 2.764000
! to proton shift 4.413500
! from heavyatom shift 37.545000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 26
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn ASN and name hb*) (resid 51 and resn asn and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC260
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23000.000000
! from proton shift 1.435000
! to proton shift 1.015500
! from heavyatom shift 40.447000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 260
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hb*) (resid 7 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC262
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 46300.000000
! from proton shift 2.091000
! to proton shift 0.685500
! from heavyatom shift 40.430000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 262
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hb*) (resid 29 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC266
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 89900.000000
! from proton shift 2.430000
! to proton shift 1.749500
! from heavyatom shift 41.769000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 266
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn LEU and name hb*) (resid 50 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC269
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33500.000000
! from proton shift 2.443000
! to proton shift 1.297500
! from heavyatom shift 41.883000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 269
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn LEU and name hb*) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC27
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 46000.000000
! from proton shift 5.070000
! to proton shift 3.609500
! from heavyatom shift 56.751000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 27
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name ha) (resid 5 and resn PHE and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC270
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 37600.000000
! from proton shift 2.376000
! to proton shift 1.201500
! from heavyatom shift 42.177000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 270
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hb*) (resid 7 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC271
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33300.000000
! from proton shift 2.372000
! to proton shift 1.144500
! from heavyatom shift 42.082000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 271
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hb*) (resid 32 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC272
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 94700.000000
! from proton shift 2.416000
! to proton shift 1.017500
! from heavyatom shift 41.591000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 272
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn LEU and name hb*) (resid 50 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
    or (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name hg) 
 
! 
! peak name 3dC273
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 52200.000000
! from proton shift 2.448000
! to proton shift 1.123500
! from heavyatom shift 41.784000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 273
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn LEU and name hb*) (resid 73 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC274
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 72800.000000
! from proton shift 2.853000
! to proton shift 1.017500
! from heavyatom shift 41.917000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 274
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name he*) (resid 7 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC276
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 71900.000000
! from proton shift 1.619000
! to proton shift 0.665500
! from heavyatom shift 41.884000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 276
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn LEU and name hb*) (resid 70 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC278
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 58300.000000
! from proton shift 1.600000
! to proton shift 0.996500
! from heavyatom shift 41.785000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 278
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn LEU and name hb*) (resid 54 and resn ile and name hd*) 2.800000 1.000000 1.000000 
    or (resid 70 and resn LEU and name hb*) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dC279
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 31200.000000
! from proton shift 1.591000
! to proton shift 0.864500
! from heavyatom shift 41.802000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 279
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn LEU and name hb*) (resid 10 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 70 and resn LEU and name hb*) (resid 70 and resn LEU and name hd*) 
 
! 
! peak name 3dC28
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 31900.000000
! from proton shift 5.066000
! to proton shift 2.906500
! from heavyatom shift 56.793000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 28
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name ha) (resid 5 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC281
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29800.000000
! from proton shift 1.745000
! to proton shift 0.872500
! from heavyatom shift 41.920000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 281
! note degeneracy 44, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn LEU and name hb*) (resid 10 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 73 and resn LEU and name hb*) (resid 70 and resn LEU and name hd*) 
 
! 
! peak name 3dC282
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 44200.000000
! from proton shift 1.741000
! to proton shift 1.296500
! from heavyatom shift 41.802000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 282
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn LEU and name hb*) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC284
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 46300.000000
! from proton shift 1.423000
! to proton shift 1.147500
! from heavyatom shift 42.115000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 284
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hb*) (resid 32 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC285
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25300.000000
! from proton shift 1.417000
! to proton shift 1.195500
! from heavyatom shift 42.211000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 285
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hb*) (resid 6 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 32 and resn LEU and name hb*) (resid 7 and resn VAL and name hg*) 
 
! 
! peak name 3dC29
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 180000.000000
! from proton shift 4.505000
! to proton shift 1.300500
! from heavyatom shift 51.818000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 29
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name ha) (resid 38 and resn ala and name hb#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC291
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49800.000000
! from proton shift 1.342000
! to proton shift 0.877500
! from heavyatom shift 41.386000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 291
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hb*) (resid 10 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 10 and resn LEU and name hb*) (resid 70 and resn LEU and name hd*) 
 
! 
! peak name 3dC292
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 81300.000000
! from proton shift 1.459000
! to proton shift 1.020500
! from heavyatom shift 41.658000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 292
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn LEU and name hb*) (resid 50 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name hg) 
 
! 
! peak name 3dC293
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 57100.000000
! from proton shift 3.113000
! to proton shift 1.298500
! from heavyatom shift 40.167000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 293
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn ASP and name hb*) (resid 38 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC294
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49700.000000
! from proton shift 2.907000
! to proton shift 1.297500
! from heavyatom shift 40.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 294
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC295
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 51900.000000
! from proton shift 2.801000
! to proton shift 1.296500
! from heavyatom shift 40.235000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 295
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn ASP and name hb*) (resid 38 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC296
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11100.000000
! from proton shift 2.802000
! to proton shift 1.451500
! from heavyatom shift 40.271000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 296
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn ASP and name hb*) (resid 46 and resn ala and name hb#) 4.150000 2.350000 2.350000 
    or (resid 30 and resn ASP and name hb*) (resid 29 and resn LEU and name hb*) 
 
! 
! peak name 3dC297
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14900.000000
! from proton shift 2.906000
! to proton shift 2.350500
! from heavyatom shift 40.378000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 297
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 32 and resn LEU and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC298
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12700.000000
! from proton shift 2.902000
! to proton shift 2.314500
! from heavyatom shift 40.242000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 298
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn PHE and name hb*) (resid 9 and resn GLU and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC313
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 26700.000000
! from proton shift 2.077000
! to proton shift 3.702500
! from heavyatom shift 40.461000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 313
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hb*) (resid 26 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC315
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 64500.000000
! from proton shift 1.936000
! to proton shift 0.904500
! from heavyatom shift 38.605000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 315
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hb) (resid 58 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC316
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 56300.000000
! from proton shift 1.958000
! to proton shift 0.856500
! from heavyatom shift 37.963000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 316
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hb) (resid 21 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC317
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 56800.000000
! from proton shift 1.963000
! to proton shift 0.728500
! from heavyatom shift 37.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 317
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hb) (resid 28 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC318
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 65900.000000
! from proton shift 1.968000
! to proton shift 0.621500
! from heavyatom shift 37.716000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 318
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hb) (resid 28 and resn ile and name hg12) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC319
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 26600.000000
! from proton shift 1.955000
! to proton shift 1.134500
! from heavyatom shift 38.008000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 319
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hb) (resid 21 and resn ile and name hg12) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC320
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79300.000000
! from proton shift 1.900000
! to proton shift 1.632500
! from heavyatom shift 36.424000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 320
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn GLU and name hg*) (resid 60 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC326
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 2.151000
! to proton shift 1.870500
! from heavyatom shift 36.287000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 326
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn GLU and name hg*) (resid 84 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
    or (resid 60 and resn GLU and name hg*) (resid 60 and resn GLU and name hb*) 
 
! 
! peak name 3dC327
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 189000.000000
! from proton shift 2.163000
! to proton shift 1.948500
! from heavyatom shift 36.321000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 327
! note degeneracy 104, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn GLU and name hg*) (resid 84 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC335
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 96500.000000
! from proton shift 2.519000
! to proton shift 2.192500
! from heavyatom shift 36.332000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 335
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn GLU and name hg*) (resid 75 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC34
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 286000.000000
! from proton shift 4.187000
! to proton shift 1.446500
! from heavyatom shift 54.478000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 34
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name ha) (resid 46 and resn ala and name hb#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC341
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 41400.000000
! from proton shift 1.954000
! to proton shift 1.754500
! from heavyatom shift 38.001000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 341
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hb) (resid 21 and resn ile and name hg11) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC344
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 62300.000000
! from proton shift 2.550000
! to proton shift 2.084500
! from heavyatom shift 34.171000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 344
! note degeneracy 112, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn GLN and name hg*) (resid 37 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC348
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 2.452000
! to proton shift 1.980500
! from heavyatom shift 33.761000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 348
! note degeneracy 92, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn GLN and name hg*) (resid 26 and resn GLN and name hb*) 2.250000 0.450000 0.450000 
    or (resid 8 and resn GLN and name hg*) (resid 8 and resn GLN and name hb*) 
 
! 
! peak name 3dC349
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 152000.000000
! from proton shift 2.447000
! to proton shift 2.143500
! from heavyatom shift 33.686000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 349
! note degeneracy 88, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn GLN and name hg*) (resid 26 and resn GLN and name hb*) 2.250000 0.450000 0.450000 
    or (resid 8 and resn GLN and name hg*) (resid 8 and resn GLN and name hb*) 
 
! 
! peak name 3dC35
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 207000.000000
! from proton shift 4.125000
! to proton shift 1.567500
! from heavyatom shift 54.477000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 35
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name ha) (resid 59 and resn ala and name hb#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC352
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29900.000000
! from proton shift 1.701000
! to proton shift 1.601500
! from heavyatom shift 33.612000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 352
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn LYS and name hb*) (resid 19 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC353
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 54000.000000
! from proton shift 1.694000
! to proton shift 1.516500
! from heavyatom shift 33.620000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 353
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn LYS and name hb*) (resid 19 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC354
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 30500.000000
! from proton shift 1.882000
! to proton shift 1.513500
! from heavyatom shift 33.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 354
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn LYS and name hb*) (resid 19 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC360
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 110000.000000
! from proton shift 1.873000
! to proton shift 2.077500
! from heavyatom shift 32.305000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 360
! note degeneracy 116, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hb*) (resid 20 and resn PRO and name hg*) 2.250000 0.450000 0.450000 
    or (resid 52 and resn LYS and name hb*) (resid 52 and resn LYS and name hg*) 
 
! 
! peak name 3dC361
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 30500.000000
! from proton shift 1.882000
! to proton shift 1.513500
! from heavyatom shift 33.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 361
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn LYS and name hb*) (resid 19 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC362
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42600.000000
! from proton shift 2.598000
! to proton shift 4.029500
! from heavyatom shift 32.920000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 362
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn GLN and name hg*) (resid 31 and resn gln and name ha) 2.550000 0.750000 0.750000 
    or (resid 76 and resn GLN and name hg*) (resid 76 and resn gln and name ha) 
 
! 
! peak name 3dC364
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 81300.000000
! from proton shift 2.459000
! to proton shift 3.929500
! from heavyatom shift 33.735000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 364
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn GLN and name hg*) (resid 8 and resn gln and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC366
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 44600.000000
! from proton shift 2.406000
! to proton shift 4.177500
! from heavyatom shift 34.172000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 366
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn GLN and name hg*) (resid 72 and resn gln and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC368
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36700.000000
! from proton shift 2.549000
! to proton shift 4.203500
! from heavyatom shift 34.242000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 368
! note degeneracy 104, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 68 and resn GLN and name hg*) (resid 68 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC369
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33200.000000
! from proton shift 2.650000
! to proton shift 4.175500
! from heavyatom shift 34.143000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 369
! note degeneracy 81, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn GLN and name hg*) (resid 72 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC370
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23200.000000
! from proton shift 2.645000
! to proton shift 4.421500
! from heavyatom shift 34.202000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 370
! note degeneracy 51, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn GLN and name hg*) (resid 69 and resn ala and name ha) 3.400000 1.600000 1.600000 
    or (resid 37 and resn GLN and name hg*) (resid 37 and resn gln and name ha) 
 
! 
! peak name 3dC372
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 52000.000000
! from proton shift 2.652000
! to proton shift 3.783500
! from heavyatom shift 34.596000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 372
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 43 and resn gln and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC373
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22400.000000
! from proton shift 2.658000
! to proton shift 3.393500
! from heavyatom shift 34.656000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 373
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 35 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC374
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 40100.000000
! from proton shift 2.662000
! to proton shift 0.643500
! from heavyatom shift 34.545000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 374
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 35 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC375
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13200.000000
! from proton shift 2.643000
! to proton shift 0.987500
! from heavyatom shift 34.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 375
! note degeneracy 45, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn GLN and name hg*) (resid 34 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
    or (resid 72 and resn GLN and name hg*) (resid 54 and resn ile and name hd*) 
    or (resid 72 and resn GLN and name hg*) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dC376
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 43500.000000
! from proton shift 2.646000
! to proton shift 1.299500
! from heavyatom shift 34.589000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 376
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 38 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC377
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35800.000000
! from proton shift 2.655000
! to proton shift 1.541500
! from heavyatom shift 34.529000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 377
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hg*) (resid 43 and resn GLN and name hb*) 3.650000 1.850000 1.850000 
    or (resid 43 and resn GLN and name hg*) (resid 80 and resn ala and name hb#) 
 
! 
! peak name 3dC378
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 18200.000000
! from proton shift 2.462000
! to proton shift 1.691500
! from heavyatom shift 33.639000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 378
! note degeneracy 76, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn GLN and name hg*) (resid 11 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC379
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 17500.000000
! from proton shift 2.450000
! to proton shift 1.459500
! from heavyatom shift 33.671000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 379
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn GLN and name hg*) (resid 23 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC38
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 25100.000000
! from proton shift 4.176000
! to proton shift 1.058500
! from heavyatom shift 54.310000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 38
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name ha) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 46 and resn ala and name ha) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC380
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12500.000000
! from proton shift 2.471000
! to proton shift 1.204500
! from heavyatom shift 33.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 380
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn GLN and name hg*) (resid 6 and resn thr and name hg2#) 4.150000 2.350000 2.350000 
    or (resid 8 and resn GLN and name hg*) (resid 7 and resn VAL and name hg*) 
 
! 
! peak name 3dC383
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 10700.000000
! from proton shift 2.455000
! to proton shift 0.819500
! from heavyatom shift 33.854000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 383
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn GLN and name hg*) (resid 29 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
    or (resid 8 and resn GLN and name hg*) (resid 29 and resn LEU and name hd*) 
 
! 
! peak name 3dC387
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 198000.000000
! from proton shift 1.930000
! to proton shift 0.834500
! from heavyatom shift 33.118000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 387
! note degeneracy 63, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn val and name hb) (resid 16 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC389
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 2.474000
! to proton shift 1.060500
! from heavyatom shift 31.531000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 389
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hb) (resid 35 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC390
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32800.000000
! from proton shift 2.465000
! to proton shift 1.145500
! from heavyatom shift 31.612000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 390
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hb) (resid 32 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC391
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15000.000000
! from proton shift 2.457000
! to proton shift 0.943500
! from heavyatom shift 31.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 391
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hb) (resid 4 and resn ile and name hg2#) 4.150000 2.350000 2.350000 
    or (resid 35 and resn val and name hb) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC392
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 95100.000000
! from proton shift 2.467000
! to proton shift 0.645500
! from heavyatom shift 31.563000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 392
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hb) (resid 35 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC394
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11700.000000
! from proton shift 2.465000
! to proton shift 1.751500
! from heavyatom shift 31.607000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 394
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hb) (resid 32 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
    or (resid 35 and resn val and name hb) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dC399
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 105000.000000
! from proton shift 1.896000
! to proton shift 3.931500
! from heavyatom shift 32.452000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 399
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name hb*) (resid 8 and resn gln and name ha) 2.250000 0.450000 0.450000 
    or (resid 11 and resn LYS and name hb*) (resid 11 and resn lys and name ha) 
 
! 
! peak name 3dC4
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32900.000000
! from proton shift 3.743000
! to proton shift 4.302500
! from heavyatom shift 67.266000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 4
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name ha) (resid 78 and resn thr and name hb) 3.400000 1.600000 1.600000 
    or (resid 78 and resn thr and name ha) (resid 79 and resn ser and name ha) 
 
! 
! peak name 3dC400
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16800.000000
! from proton shift 1.869000
! to proton shift 3.700500
! from heavyatom shift 32.345000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 400
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name hb*) (resid 10 and resn leu and name ha) 3.900000 2.100000 2.100000 
    or (resid 20 and resn PRO and name hb*) (resid 20 and resn PRO and name hd*) 
 
! 
! peak name 3dC401
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 1.979000
! to proton shift 4.122500
! from heavyatom shift 32.287000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 401
! note degeneracy 105, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name hb*) (resid 15 and resn lys and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC402
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 18100.000000
! from proton shift 1.983000
! to proton shift 4.322500
! from heavyatom shift 32.468000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 402
! note degeneracy 65, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn LYS and name hb*) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 15 and resn LYS and name hb*) (resid 14 and resn ala and name ha) 
 
! 
! peak name 3dC403
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 36500.000000
! from proton shift 2.104000
! to proton shift 4.319500
! from heavyatom shift 32.449000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 403
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name hb*) (resid 14 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC404
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 54000.000000
! from proton shift 2.122000
! to proton shift 4.138500
! from heavyatom shift 32.436000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 404
! note degeneracy 84, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name hb*) (resid 15 and resn lys and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC408
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 123000.000000
! from proton shift 2.093000
! to proton shift 1.201500
! from heavyatom shift 31.737000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 408
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name hb) (resid 7 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC409
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 140000.000000
! from proton shift 2.097000
! to proton shift 1.018500
! from heavyatom shift 31.892000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 409
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name hb) (resid 7 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC411
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15100.000000
! from proton shift 2.298000
! to proton shift 0.715500
! from heavyatom shift 32.090000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 411
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hb) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC414
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73600.000000
! from proton shift 2.080000
! to proton shift 1.171500
! from heavyatom shift 29.145000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 414
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg12) (resid 58 and resn ile and name hg11) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC416
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 93200.000000
! from proton shift 2.077000
! to proton shift 0.905500
! from heavyatom shift 29.347000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 416
! note degeneracy 55, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg12) (resid 58 and resn ile and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC42
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 41500.000000
! from proton shift 3.770000
! to proton shift 2.090500
! from heavyatom shift 58.916000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 42
! note degeneracy 58, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name ha) (resid 43 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC423
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 32400.000000
! from proton shift 1.703000
! to proton shift 0.816500
! from heavyatom shift 29.952000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 423
! note degeneracy 50, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name hd*) (resid 29 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC426
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 193000.000000
! from proton shift 1.704000
! to proton shift 1.352500
! from heavyatom shift 29.924000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 426
! note degeneracy 55, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name hd*) (resid 11 and resn LYS and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC428
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 168000.000000
! from proton shift 1.598000
! to proton shift 1.233500
! from heavyatom shift 28.465000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 428
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg11) (resid 44 and resn ile and name hg12) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC43
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 52900.000000
! from proton shift 3.785000
! to proton shift 1.543500
! from heavyatom shift 59.014000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 43
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name ha) (resid 43 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC430
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 54500.000000
! from proton shift 1.553000
! to proton shift 1.295500
! from heavyatom shift 28.684000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 430
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hb*) (resid 38 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC431
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 97900.000000
! from proton shift 1.590000
! to proton shift 0.808500
! from heavyatom shift 28.593000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 431
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg11) (resid 44 and resn ile and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC432
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 59100.000000
! from proton shift 1.594000
! to proton shift 0.843500
! from heavyatom shift 28.669000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 432
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg11) (resid 44 and resn ile and name hg2#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC434
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 63500.000000
! from proton shift 1.243000
! to proton shift 0.851500
! from heavyatom shift 28.570000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 434
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg12) (resid 44 and resn ile and name hg2#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC435
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 84500.000000
! from proton shift 1.230000
! to proton shift 0.807500
! from heavyatom shift 28.587000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 435
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg12) (resid 44 and resn ile and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC440
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 164000.000000
! from proton shift 1.232000
! to proton shift 1.588500
! from heavyatom shift 28.489000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 440
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg12) (resid 44 and resn ile and name hg11) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC441
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 64900.000000
! from proton shift 1.577000
! to proton shift 2.096500
! from heavyatom shift 28.557000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 441
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg11) (resid 44 and resn ile and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC443
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 37700.000000
! from proton shift 1.551000
! to proton shift 2.650500
! from heavyatom shift 28.612000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 443
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hb*) (resid 43 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC445
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 87700.000000
! from proton shift 1.770000
! to proton shift 3.134500
! from heavyatom shift 29.160000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 445
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn LYS and name hd*) (resid 39 and resn LYS and name he*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC446
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 162000.000000
! from proton shift 1.768000
! to proton shift 3.033500
! from heavyatom shift 29.388000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 446
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name hd*) (resid 15 and resn LYS and name he*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC450
! bounds 6.000000 1.800000
! likelihood 0.900000
! intensity 11600.000000
! from proton shift 1.755000
! to proton shift 3.772500
! from heavyatom shift 29.266000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 450
! note degeneracy 35, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn LYS and name hd*) (resid 43 and resn gln and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC451
! bounds 3.300000 1.800000
! likelihood 0.920000
! intensity 67900.000000
! from proton shift 1.707000
! to proton shift 3.929500
! from heavyatom shift 29.973000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 451
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name hd*) (resid 50 and resn leu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC456
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 50500.000000
! from proton shift 1.866000
! to proton shift 4.229500
! from heavyatom shift 30.067000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 456
! note degeneracy 88, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn GLU and name hb*) (resid 84 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC457
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 52600.000000
! from proton shift 1.941000
! to proton shift 4.227500
! from heavyatom shift 30.074000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 457
! note degeneracy 110, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn GLU and name hb*) (resid 84 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC458
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 26800.000000
! from proton shift 1.704000
! to proton shift 4.243500
! from heavyatom shift 29.762000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 458
! note degeneracy 72, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn GLU and name hb*) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000 
    or (resid 53 and resn LYS and name hd*) (resid 53 and resn lys and name ha) 
 
! 
! peak name 3dC462
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 2.049000
! to proton shift 4.123500
! from heavyatom shift 29.542000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 462
! note degeneracy 126, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn ARG and name hb*) (resid 41 and resn arg and name ha) 2.250000 0.450000 0.450000 
    or (resid 12 and resn GLU and name hb*) (resid 12 and resn glu and name ha) 
 
! 
! peak name 3dC464
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32800.000000
! from proton shift 2.108000
! to proton shift 3.938500
! from heavyatom shift 29.741000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 464
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn GLU and name hb*) (resid 50 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC469
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17600.000000
! from proton shift 0.913000
! to proton shift 3.681500
! from heavyatom shift 30.079000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 469
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC471
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13000.000000
! from proton shift 1.368000
! to proton shift 4.228500
! from heavyatom shift 29.934000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 471
! note degeneracy 44, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name hd*) (resid 53 and resn lys and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC473
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38100.000000
! from proton shift 1.179000
! to proton shift 3.749500
! from heavyatom shift 29.235000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 473
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg11) (resid 58 and resn ile and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC474
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 93000.000000
! from proton shift 1.174000
! to proton shift 2.074500
! from heavyatom shift 29.257000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 474
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg11) (resid 58 and resn ile and name hg12) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC476
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 59400.000000
! from proton shift 1.403000
! to proton shift 1.699500
! from heavyatom shift 29.419000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 476
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 66 and resn ARG and name hb*) (resid 66 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC48
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20700.000000
! from proton shift 3.935000
! to proton shift 2.374500
! from heavyatom shift 50.991000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 48
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hd*) (resid 20 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC481
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 187000.000000
! from proton shift 1.121000
! to proton shift 0.856500
! from heavyatom shift 27.965000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 481
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hg12) (resid 21 and resn ile and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC483
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79700.000000
! from proton shift 1.130000
! to proton shift 1.301500
! from heavyatom shift 28.276000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 483
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name hg) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC484
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 45500.000000
! from proton shift 1.033000
! to proton shift 1.461500
! from heavyatom shift 28.418000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 484
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hg) (resid 50 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC486
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 169000.000000
! from proton shift 1.132000
! to proton shift 1.755500
! from heavyatom shift 27.846000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 486
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hg12) (resid 21 and resn ile and name hg11) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC487
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 93000.000000
! from proton shift 1.174000
! to proton shift 2.074500
! from heavyatom shift 29.257000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 487
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg11) (resid 58 and resn ile and name hg12) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC489
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 31700.000000
! from proton shift 1.123000
! to proton shift 4.203500
! from heavyatom shift 28.240000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 489
! note degeneracy 104, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name hg) (resid 70 and resn leu and name ha) 3.400000 1.600000 1.600000 
    or (resid 73 and resn leu and name hg) (resid 73 and resn leu and name ha) 
 
! 
! peak name 3dC49
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14100.000000
! from proton shift 3.701000
! to proton shift 2.367500
! from heavyatom shift 51.018000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 49
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hd*) (resid 20 and resn PRO and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC490
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 120000.000000
! from proton shift 2.239000
! to proton shift 4.203500
! from heavyatom shift 27.893000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 490
! note degeneracy 104, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 68 and resn GLN and name hb*) (resid 68 and resn gln and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC492
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73600.000000
! from proton shift 2.066000
! to proton shift 3.702500
! from heavyatom shift 27.574000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 492
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hg*) (resid 20 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC494
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 50600.000000
! from proton shift 2.106000
! to proton shift 3.392500
! from heavyatom shift 27.733000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 494
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn PRO and name hg*) (resid 62 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC495
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 58100.000000
! from proton shift 2.061000
! to proton shift 3.944500
! from heavyatom shift 27.599000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 495
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hg*) (resid 20 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC496
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 1.865000
! to proton shift 3.328500
! from heavyatom shift 27.207000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 496
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn ARG and name hg*) (resid 41 and resn ARG and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC497
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 50800.000000
! from proton shift 1.861000
! to proton shift 4.123500
! from heavyatom shift 27.345000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 497
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn ARG and name hg*) (resid 41 and resn arg and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC498
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 21900.000000
! from proton shift 1.858000
! to proton shift 4.221500
! from heavyatom shift 26.759000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 498
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name hg*) (resid 53 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC50
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 56700.000000
! from proton shift 3.701000
! to proton shift 2.056500
! from heavyatom shift 50.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 50
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hd*) (resid 20 and resn PRO and name hg*) 2.550000 0.750000 0.750000 
    or (resid 20 and resn PRO and name hd*) (resid 20 and resn PRO and name hg*) 
 
! 
! peak name 3dC500
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 43400.000000
! from proton shift 1.715000
! to proton shift 3.927500
! from heavyatom shift 26.737000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 500
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name hg*) (resid 11 and resn lys and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC501
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38800.000000
! from proton shift 1.625000
! to proton shift 4.226500
! from heavyatom shift 26.794000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 501
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name hg*) (resid 53 and resn lys and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC504
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 17500.000000
! from proton shift 1.013000
! to proton shift 3.860500
! from heavyatom shift 26.724000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 504
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hg) (resid 29 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC507
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13600.000000
! from proton shift 0.999000
! to proton shift 4.145500
! from heavyatom shift 26.661000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 507
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hg) (resid 32 and resn leu and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC508
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36000.000000
! from proton shift 0.993000
! to proton shift 2.358500
! from heavyatom shift 26.669000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 508
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hg) (resid 32 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC510
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 54600.000000
! from proton shift 1.007000
! to proton shift 1.745500
! from heavyatom shift 26.662000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 510
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hg) (resid 32 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC511
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42200.000000
! from proton shift 1.001000
! to proton shift 1.425500
! from heavyatom shift 26.647000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 511
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hg) (resid 32 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC512
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 43300.000000
! from proton shift 1.006000
! to proton shift 1.301500
! from heavyatom shift 26.660000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 512
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hg) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC514
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 1.020000
! to proton shift 1.146500
! from heavyatom shift 26.626000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 514
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hg) (resid 32 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC516
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27900.000000
! from proton shift 0.849000
! to proton shift 1.335500
! from heavyatom shift 26.220000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 516
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn leu and name hg) (resid 10 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC517
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23600.000000
! from proton shift 0.845000
! to proton shift 1.755500
! from heavyatom shift 26.049000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 517
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn leu and name hg) (resid 32 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 10 and resn leu and name hg) (resid 73 and resn LEU and name hb*) 
 
! 
! peak name 3dC519
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 52000.000000
! from proton shift 0.855000
! to proton shift 1.848500
! from heavyatom shift 26.313000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 519
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn leu and name hg) (resid 10 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC525
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 109000.000000
! from proton shift 0.683000
! to proton shift 1.433500
! from heavyatom shift 25.812000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 525
! note degeneracy 51, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hg) (resid 29 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC526
! bounds 3.300000 1.800000
! likelihood 0.920000
! intensity 62200.000000
! from proton shift 0.673000
! to proton shift 1.007500
! from heavyatom shift 25.806000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 526
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hg) (resid 7 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC527
! bounds 3.300000 1.800000
! likelihood 0.960000
! intensity 56200.000000
! from proton shift 0.626000
! to proton shift 0.940500
! from heavyatom shift 25.692000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 527
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name hg) (resid 77 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC528
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 26300.000000
! from proton shift 0.639000
! to proton shift 1.072500
! from heavyatom shift 25.777000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 528
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name hg) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 81 and resn leu and name hg) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC529
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49000.000000
! from proton shift 0.642000
! to proton shift 1.528500
! from heavyatom shift 25.807000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 529
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name hg) (resid 80 and resn ala and name hb#) 2.800000 1.000000 1.000000 
    or (resid 81 and resn leu and name hg) (resid 81 and resn LEU and name hb*) 
 
! 
! peak name 3dC53
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16400.000000
! from proton shift 3.691000
! to proton shift 1.705500
! from heavyatom shift 51.086000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 53
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hd*) (resid 19 and resn LYS and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC530
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 95700.000000
! from proton shift 0.733000
! to proton shift 1.627500
! from heavyatom shift 25.535000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 530
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 83 and resn leu and name hg) (resid 83 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC531
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 18200.000000
! from proton shift 0.749000
! to proton shift 1.788500
! from heavyatom shift 25.491000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 531
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 83 and resn leu and name hg) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC532
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 47000.000000
! from proton shift 0.683000
! to proton shift 2.088500
! from heavyatom shift 25.759000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 532
! note degeneracy 84, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hg) (resid 29 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC535
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 48600.000000
! from proton shift 0.626000
! to proton shift 1.807500
! from heavyatom shift 25.779000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 535
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name hg) (resid 81 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC536
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 67500.000000
! from proton shift 0.640000
! to proton shift 1.702500
! from heavyatom shift 25.864000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 536
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name hg) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC537
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 47400.000000
! from proton shift 1.614000
! to proton shift 2.122500
! from heavyatom shift 24.813000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 537
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name hg*) (resid 15 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC538
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 41600.000000
! from proton shift 1.470000
! to proton shift 2.115500
! from heavyatom shift 24.810000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 538
! note degeneracy 78, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name hg*) (resid 15 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC54
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15500.000000
! from proton shift 3.689000
! to proton shift 1.582500
! from heavyatom shift 51.039000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 54
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hd*) (resid 19 and resn LYS and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC541
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 88400.000000
! from proton shift 0.995000
! to proton shift 2.023500
! from heavyatom shift 24.856000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 541
! note degeneracy 81, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn leu and name hg) (resid 34 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC543
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 87700.000000
! from proton shift 1.002000
! to proton shift 1.778500
! from heavyatom shift 24.779000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 543
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn leu and name hg) (resid 34 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC545
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 181000.000000
! from proton shift 1.056000
! to proton shift 1.434500
! from heavyatom shift 24.565000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 545
! note degeneracy 51, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 46 and resn ala and name hb#) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC546
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 151000.000000
! from proton shift 1.057000
! to proton shift 2.450500
! from heavyatom shift 24.527000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 546
! note degeneracy 51, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn LYS and name hg*) (resid 39 and resn LYS and name hb*) 2.500000 0.700000 0.700000 
    or (resid 35 and resn VAL and name hg*) (resid 35 and resn val and name hb) 
 
! 
! peak name 3dC547
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 1.062000
! to proton shift 3.387500
! from heavyatom shift 24.455000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 547
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 35 and resn val and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC548
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23800.000000
! from proton shift 1.070000
! to proton shift 3.583500
! from heavyatom shift 24.261000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 548
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 47 and resn SER and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC549
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 85100.000000
! from proton shift 1.203000
! to proton shift 3.592500
! from heavyatom shift 24.150000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 549
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 7 and resn val and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC550
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 102000.000000
! from proton shift 0.879000
! to proton shift 3.715500
! from heavyatom shift 24.180000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 550
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hd*) (resid 10 and resn leu and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC551
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77400.000000
! from proton shift 0.866000
! to proton shift 4.199500
! from heavyatom shift 23.548000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 551
! note degeneracy 81, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn LEU and name hd*) (resid 70 and resn leu and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC552
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 67500.000000
! from proton shift 1.158000
! to proton shift 4.139500
! from heavyatom shift 22.816000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 552
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hd*) (resid 32 and resn leu and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC553
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 140000.000000
! from proton shift 1.251000
! to proton shift 4.304500
! from heavyatom shift 21.682000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 553
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hg2#) (resid 78 and resn thr and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC554
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 109000.000000
! from proton shift 1.252000
! to proton shift 3.740500
! from heavyatom shift 21.690000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 554
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hg2#) (resid 78 and resn thr and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC555
! bounds 3.300000 1.800000
! likelihood 0.960000
! intensity 40900.000000
! from proton shift 1.253000
! to proton shift 4.097500
! from heavyatom shift 21.667000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 555
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hg2#) (resid 75 and resn glu and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC556
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 96200.000000
! from proton shift 1.216000
! to proton shift 4.224500
! from heavyatom shift 22.231000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 556
! note degeneracy 66, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn thr and name hg2#) (resid 6 and resn thr and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC557
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 62100.000000
! from proton shift 1.347000
! to proton shift 4.473500
! from heavyatom shift 21.591000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 557
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 63 and resn thr and name hg2#) (resid 63 and resn thr and name hb) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC560
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 126000.000000
! from proton shift 1.343000
! to proton shift 3.889500
! from heavyatom shift 21.593000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 560
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hg2#) (resid 71 and resn thr and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC561
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25100.000000
! from proton shift 1.361000
! to proton shift 3.974500
! from heavyatom shift 21.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 561
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 63 and resn thr and name hg2#) (resid 63 and resn thr and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC57
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 107000.000000
! from proton shift 2.013000
! to proton shift 1.796500
! from heavyatom shift 41.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 57
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn LEU and name hb*) (resid 34 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC570
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 18400.000000
! from proton shift 0.831000
! to proton shift 4.247500
! from heavyatom shift 21.075000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 570
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn VAL and name hg*) (resid 66 and resn arg and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC571
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 30700.000000
! from proton shift 0.843000
! to proton shift 4.150500
! from heavyatom shift 21.092000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 571
! note degeneracy 23, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn VAL and name hg*) (resid 13 and resn arg and name ha) 3.650000 1.850000 1.850000 
    or (resid 16 and resn VAL and name hg*) (resid 15 and resn lys and name ha) 
 
! 
! peak name 3dC573
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32500.000000
! from proton shift 0.953000
! to proton shift 4.181500
! from heavyatom shift 22.134000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 573
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 46 and resn ala and name ha) 3.650000 1.850000 1.850000 
    or (resid 77 and resn VAL and name hg*) (resid 74 and resn lys and name ha) 
 
! 
! peak name 3dC574
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 64200.000000
! from proton shift 0.936000
! to proton shift 4.099500
! from heavyatom shift 22.054000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 574
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 47 and resn ser and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC575
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 24500.000000
! from proton shift 1.025000
! to proton shift 3.937500
! from heavyatom shift 21.949000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 575
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 8 and resn gln and name ha) 3.650000 1.850000 1.850000 
    or (resid 7 and resn VAL and name hg*) (resid 11 and resn lys and name ha) 
 
! 
! peak name 3dC576
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 21800.000000
! from proton shift 1.022000
! to proton shift 3.859500
! from heavyatom shift 21.870000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 576
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 29 and resn leu and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC577
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 92000.000000
! from proton shift 1.013000
! to proton shift 3.591500
! from heavyatom shift 21.902000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 577
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn VAL and name hg*) (resid 7 and resn val and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC578
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 91900.000000
! from proton shift 0.940000
! to proton shift 3.529500
! from heavyatom shift 22.220000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 578
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 77 and resn val and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC579
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 71100.000000
! from proton shift 0.951000
! to proton shift 3.577500
! from heavyatom shift 22.210000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 579
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 47 and resn SER and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC58
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73400.000000
! from proton shift 2.017000
! to proton shift 0.981500
! from heavyatom shift 41.341000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 58
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn LEU and name hb*) (resid 34 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 34 and resn LEU and name hb*) (resid 34 and resn leu and name hg) 
 
! 
! peak name 3dC580
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16800.000000
! from proton shift 0.932000
! to proton shift 3.739500
! from heavyatom shift 22.228000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 580
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 78 and resn thr and name ha) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC59
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 48700.000000
! from proton shift 2.014000
! to proton shift 4.110500
! from heavyatom shift 41.305000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 59
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn LEU and name hb*) (resid 34 and resn leu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC590
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 27000.000000
! from proton shift 1.250000
! to proton shift 0.629500
! from heavyatom shift 21.664000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 590
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hg2#) (resid 81 and resn leu and name hg) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC591
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 208000.000000
! from proton shift 1.059000
! to proton shift 0.645500
! from heavyatom shift 24.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 591
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 4 and resn ile and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC594
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 93300.000000
! from proton shift 0.875000
! to proton shift 1.460500
! from heavyatom shift 24.027000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 594
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hd*) (resid 13 and resn ARG and name hb*) 2.750000 0.950000 0.950000 
    or (resid 10 and resn LEU and name hd*) (resid 69 and resn ala and name hb#) 
 
! 
! peak name 3dC595
! bounds 3.300000 1.800000
! likelihood 0.950000
! intensity 61900.000000
! from proton shift 0.880000
! to proton shift 1.402500
! from heavyatom shift 24.135000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 595
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hd*) (resid 14 and resn ala and name hb#) 3.050000 1.250000 1.250000 
 
! 
! peak name 3dC596
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 44400.000000
! from proton shift 0.882000
! to proton shift 1.309500
! from heavyatom shift 24.244000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 596
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hd*) (resid 73 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
 
! 
! peak name 3dC597
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 72700.000000
! from proton shift 0.872000
! to proton shift 1.119500
! from heavyatom shift 24.031000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 597
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LEU and name hd*) (resid 73 and resn leu and name hg) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC598
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 134000.000000
! from proton shift 0.829000
! to proton shift 1.012500
! from heavyatom shift 23.502000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 598
! note degeneracy 45, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hd*) (resid 7 and resn VAL and name hg*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC6
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32500.000000
! from proton shift 3.389000
! to proton shift 2.465500
! from heavyatom shift 67.583000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 6
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name ha) (resid 35 and resn val and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC60
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 99000.000000
! from proton shift 1.503000
! to proton shift 0.930500
! from heavyatom shift 40.921000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 60
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hb) (resid 4 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC600
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 95100.000000
! from proton shift 1.081000
! to proton shift 0.624500
! from heavyatom shift 23.421000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 600
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 4 and resn ile and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC601
! bounds 2.700000 1.800000
! likelihood 0.990000
! intensity 91800.000000
! from proton shift 1.144000
! to proton shift 1.749500
! from heavyatom shift 22.903000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 601
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hd*) (resid 50 and resn LEU and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC603
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 86200.000000
! from proton shift 1.156000
! to proton shift 1.301500
! from heavyatom shift 22.885000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 603
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hd*) (resid 73 and resn LEU and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC606
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 42100.000000
! from proton shift 1.141000
! to proton shift 2.451500
! from heavyatom shift 22.954000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 606
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hd*) (resid 73 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC607
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32900.000000
! from proton shift 1.146000
! to proton shift 2.375500
! from heavyatom shift 22.874000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 607
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hd*) (resid 32 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC608
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 99300.000000
! from proton shift 1.074000
! to proton shift 2.308500
! from heavyatom shift 23.432000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 608
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 77 and resn val and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC609
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 22700.000000
! from proton shift 1.078000
! to proton shift 1.988500
! from heavyatom shift 23.606000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 609
! note degeneracy 23, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 74 and resn LYS and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC61
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 93400.000000
! from proton shift 1.502000
! to proton shift 0.624500
! from heavyatom shift 40.828000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 61
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hb) (resid 4 and resn ile and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC612
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 0.812000
! to proton shift 1.443500
! from heavyatom shift 23.522000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 612
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hd*) (resid 29 and resn LEU and name hb*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC618
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16200.000000
! from proton shift 0.815000
! to proton shift 2.364500
! from heavyatom shift 23.635000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 618
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn LEU and name hd*) (resid 32 and resn LEU and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC62
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29200.000000
! from proton shift 1.503000
! to proton shift 4.155500
! from heavyatom shift 40.923000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 62
! note degeneracy 66, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hb) (resid 4 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC622
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 92800.000000
! from proton shift 1.077000
! to proton shift 3.530500
! from heavyatom shift 23.430000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 622
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn VAL and name hg*) (resid 77 and resn val and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC631
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42300.000000
! from proton shift 0.627000
! to proton shift 0.938500
! from heavyatom shift 20.635000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 631
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 4 and resn ile and name hg2#) 3.050000 1.250000 1.250000 
    or (resid 35 and resn VAL and name hg*) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC632
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42600.000000
! from proton shift 0.652000
! to proton shift 1.145500
! from heavyatom shift 20.708000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 632
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 32 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
 
! 
! peak name 3dC633
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 28300.000000
! from proton shift 0.639000
! to proton shift 1.435500
! from heavyatom shift 20.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 633
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 32 and resn LEU and name hb*) 3.900000 2.100000 2.100000 
    or (resid 35 and resn VAL and name hg*) (resid 46 and resn ala and name hb#) 
 
! 
! peak name 3dC634
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16400.000000
! from proton shift 0.652000
! to proton shift 1.551500
! from heavyatom shift 20.729000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 634
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn VAL and name hg*) (resid 43 and resn GLN and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC639
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 18900.000000
! from proton shift 1.225000
! to proton shift 2.360500
! from heavyatom shift 22.256000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 639
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn thr and name hg2#) (resid 32 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC64
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 60900.000000
! from proton shift 4.339000
! to proton shift 3.224500
! from heavyatom shift 62.006000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 64
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn phe and name ha) (resid 48 and resn PHE and name hb*) 2.550000 0.750000 0.750000 
    or (resid 48 and resn phe and name ha) (resid 48 and resn PHE and name hb*) 
 
! 
! peak name 3dC640
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33400.000000
! from proton shift 1.349000
! to proton shift 2.264500
! from heavyatom shift 21.696000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 640
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hg2#) (resid 72 and resn GLN and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC650
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 62800.000000
! from proton shift 3.896000
! to proton shift 1.347500
! from heavyatom shift 67.421000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 650
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hb) (resid 71 and resn thr and name hg2#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC652
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 21300.000000
! from proton shift 3.895000
! to proton shift 1.008500
! from heavyatom shift 67.404000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 652
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hb) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 71 and resn thr and name hb) (resid 58 and resn ile and name hg2#) 
 
! 
! peak name 3dC653
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 21000.000000
! from proton shift 3.896000
! to proton shift 0.905500
! from heavyatom shift 67.339000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 653
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hb) (resid 58 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC656
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 142000.000000
! from proton shift 4.089000
! to proton shift 3.585500
! from heavyatom shift 62.517000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 656
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn ser and name ha) (resid 47 and resn SER and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC660
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 24000.000000
! from proton shift 4.007000
! to proton shift 1.761500
! from heavyatom shift 62.774000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 660
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name ha) (resid 21 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC661
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14600.000000
! from proton shift 3.997000
! to proton shift 1.686500
! from heavyatom shift 62.935000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 661
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name ha) (resid 19 and resn LYS and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC666
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32200.000000
! from proton shift 4.009000
! to proton shift 1.133500
! from heavyatom shift 62.786000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 666
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name ha) (resid 21 and resn ile and name hg12) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC667
! bounds 2.700000 1.800000
! likelihood 0.990000
! intensity 100000.000000
! from proton shift 4.098000
! to proton shift 1.056500
! from heavyatom shift 62.684000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 667
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn ser and name ha) (resid 77 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC668
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 70300.000000
! from proton shift 4.011000
! to proton shift 0.998500
! from heavyatom shift 62.734000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 668
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name ha) (resid 21 and resn ile and name hg2#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC67
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 30700.000000
! from proton shift 4.121000
! to proton shift 1.007500
! from heavyatom shift 54.427000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 67
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name ha) (resid 58 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC670
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 157000.000000
! from proton shift 4.007000
! to proton shift 0.839500
! from heavyatom shift 62.716000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 670
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn val and name ha) (resid 16 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC675
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25600.000000
! from proton shift 3.572000
! to proton shift 0.723500
! from heavyatom shift 62.672000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 675
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn SER and name hb*) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC676
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49500.000000
! from proton shift 3.577000
! to proton shift 0.940500
! from heavyatom shift 62.680000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 676
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn SER and name hb*) (resid 77 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC677
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36300.000000
! from proton shift 3.563000
! to proton shift 1.067500
! from heavyatom shift 62.720000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 677
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn SER and name hb*) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 47 and resn SER and name hb*) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC68
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36700.000000
! from proton shift 5.015000
! to proton shift 2.981500
! from heavyatom shift 53.099000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 68
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name ha) (resid 61 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC682
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 106000.000000
! from proton shift 4.218000
! to proton shift 1.207500
! from heavyatom shift 60.756000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 682
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn thr and name ha) (resid 6 and resn thr and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC684
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 98600.000000
! from proton shift 4.164000
! to proton shift 0.928500
! from heavyatom shift 59.707000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 684
! note degeneracy 96, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name ha) (resid 77 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
    or (resid 4 and resn ile and name ha) (resid 4 and resn ile and name hg2#) 
 
! 
! peak name 3dC686
! bounds 3.300000 1.800000
! likelihood 0.950000
! intensity 65100.000000
! from proton shift 4.177000
! to proton shift 1.012500
! from heavyatom shift 59.633000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 686
! note degeneracy 135, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name ha) (resid 54 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC687
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49800.000000
! from proton shift 4.163000
! to proton shift 1.078500
! from heavyatom shift 59.656000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 687
! note degeneracy 96, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name ha) (resid 77 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC69
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 30100.000000
! from proton shift 5.021000
! to proton shift 2.844500
! from heavyatom shift 53.109000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 69
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name ha) (resid 61 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC691
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42200.000000
! from proton shift 3.934000
! to proton shift 1.361500
! from heavyatom shift 60.112000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 691
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name ha) (resid 11 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC692
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 60600.000000
! from proton shift 3.933000
! to proton shift 1.398500
! from heavyatom shift 60.127000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 692
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name ha) (resid 14 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC693
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20200.000000
! from proton shift 4.409000
! to proton shift 0.644500
! from heavyatom shift 59.855000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 693
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name ha) (resid 4 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 36 and resn his and name ha) (resid 35 and resn VAL and name hg*) 
 
! 
! peak name 3dC695
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 4.149000
! to proton shift 1.992500
! from heavyatom shift 59.938000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 695
! note degeneracy 175, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name ha) (resid 52 and resn LYS and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC696
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 159000.000000
! from proton shift 4.128000
! to proton shift 2.050500
! from heavyatom shift 59.195000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 696
! note degeneracy 180, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn glu and name ha) (resid 12 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC697
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82300.000000
! from proton shift 3.927000
! to proton shift 1.980500
! from heavyatom shift 59.371000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 697
! note degeneracy 69, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name ha) (resid 8 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC698
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73900.000000
! from proton shift 3.935000
! to proton shift 1.777500
! from heavyatom shift 58.785000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 698
! note degeneracy 68, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name ha) (resid 50 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC7
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 3.388000
! to proton shift 1.060500
! from heavyatom shift 67.451000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 7
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name ha) (resid 35 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC70
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 64300.000000
! from proton shift 3.473000
! to proton shift 0.730500
! from heavyatom shift 66.107000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 70
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name ha) (resid 28 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC701
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 4.159000
! to proton shift 2.273500
! from heavyatom shift 59.405000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 701
! note degeneracy 77, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn gln and name ha) (resid 72 and resn GLN and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC706
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29300.000000
! from proton shift 4.126000
! to proton shift 3.326500
! from heavyatom shift 58.979000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 706
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn arg and name ha) (resid 41 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
    or (resid 75 and resn glu and name ha) (resid 74 and resn LYS and name he*) 
 
! 
! peak name 3dC707
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 45200.000000
! from proton shift 4.129000
! to proton shift 1.856500
! from heavyatom shift 58.904000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 707
! note degeneracy 102, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn arg and name ha) (resid 41 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC710
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 97500.000000
! from proton shift 4.153000
! to proton shift 1.693500
! from heavyatom shift 57.879000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 710
! note degeneracy 95, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name ha) (resid 13 and resn ARG and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC711
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 75300.000000
! from proton shift 4.138000
! to proton shift 1.423500
! from heavyatom shift 57.893000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 711
! note degeneracy 68, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name ha) (resid 32 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC712
! bounds 2.700000 1.800000
! likelihood 0.970000
! intensity 119000.000000
! from proton shift 4.212000
! to proton shift 1.300500
! from heavyatom shift 57.559000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 712
! note degeneracy 70, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn leu and name ha) (resid 73 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC713
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 4.145000
! to proton shift 1.145500
! from heavyatom shift 57.816000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 713
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name ha) (resid 32 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC714
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 89400.000000
! from proton shift 4.156000
! to proton shift 1.052500
! from heavyatom shift 57.804000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 714
! note degeneracy 65, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name ha) (resid 35 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC715
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 4.198000
! to proton shift 0.862500
! from heavyatom shift 57.605000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 715
! note degeneracy 70, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn leu and name ha) (resid 10 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
    or (resid 70 and resn leu and name ha) (resid 70 and resn LEU and name hd*) 
 
! 
! peak name 3dC717
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 44600.000000
! from proton shift 4.158000
! to proton shift 0.640500
! from heavyatom shift 57.674000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 717
! note degeneracy 35, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name ha) (resid 35 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC718
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79500.000000
! from proton shift 4.510000
! to proton shift 1.563500
! from heavyatom shift 57.291000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 718
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn asp and name ha) (resid 59 and resn ala and name hb#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC72
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 41500.000000
! from proton shift 3.749000
! to proton shift 2.074500
! from heavyatom shift 65.187000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 72
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name ha) (resid 58 and resn ile and name hg12) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC720
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12000.000000
! from proton shift 4.586000
! to proton shift 2.047500
! from heavyatom shift 56.870000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 720
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn asp and name ha) (resid 41 and resn ARG and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC721
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 47500.000000
! from proton shift 4.454000
! to proton shift 1.939500
! from heavyatom shift 56.309000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 721
! note degeneracy 100, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name ha) (resid 58 and resn ile and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC722
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 46400.000000
! from proton shift 4.447000
! to proton shift 2.545500
! from heavyatom shift 56.582000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 722
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name ha) (resid 37 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC724
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 63800.000000
! from proton shift 4.397000
! to proton shift 2.853500
! from heavyatom shift 57.082000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 724
! note degeneracy 45, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name ha) (resid 33 and resn ASP and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC725
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 86900.000000
! from proton shift 4.404000
! to proton shift 2.781500
! from heavyatom shift 57.020000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 725
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name ha) (resid 30 and resn ASP and name hb*) 2.250000 0.450000 0.450000 
    or (resid 51 and resn asn and name ha) (resid 51 and resn ASN and name hb*) 
 
! 
! peak name 3dC727
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 61600.000000
! from proton shift 4.585000
! to proton shift 2.798500
! from heavyatom shift 56.940000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 727
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn asp and name ha) (resid 42 and resn ASP and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC73
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 28900.000000
! from proton shift 3.754000
! to proton shift 1.929500
! from heavyatom shift 65.222000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 73
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name ha) (resid 58 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC730
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 66200.000000
! from proton shift 4.468000
! to proton shift 3.046500
! from heavyatom shift 56.273000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 730
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name ha) (resid 55 and resn ASN and name hb*) 2.550000 0.750000 0.750000 
    or (resid 67 and resn asn and name ha) (resid 67 and resn ASN and name hb*) 
 
! 
! peak name 3dC731
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 80100.000000
! from proton shift 4.454000
! to proton shift 2.875500
! from heavyatom shift 56.276000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 731
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name ha) (resid 55 and resn ASN and name hb*) 2.550000 0.750000 0.750000 
    or (resid 67 and resn asn and name ha) (resid 67 and resn ASN and name hb*) 
 
! 
! peak name 3dC74
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 90400.000000
! from proton shift 3.755000
! to proton shift 1.008500
! from heavyatom shift 65.292000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 74
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name ha) (resid 58 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC740
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 69700.000000
! from proton shift 4.304000
! to proton shift 2.086500
! from heavyatom shift 56.819000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 740
! note degeneracy 84, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 3 and resn gln and name ha) (resid 3 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC741
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 58500.000000
! from proton shift 4.314000
! to proton shift 2.017500
! from heavyatom shift 56.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 741
! note degeneracy 78, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 3 and resn gln and name ha) (resid 3 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC742
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73700.000000
! from proton shift 4.212000
! to proton shift 1.949500
! from heavyatom shift 57.434000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 742
! note degeneracy 175, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn glu and name ha) (resid 84 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC743
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 45700.000000
! from proton shift 4.196000
! to proton shift 2.049500
! from heavyatom shift 57.735000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 743
! note degeneracy 240, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn leu and name ha) (resid 70 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC744
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73600.000000
! from proton shift 4.153000
! to proton shift 1.635500
! from heavyatom shift 57.798000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 744
! note degeneracy 65, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name ha) (resid 13 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
    or (resid 15 and resn lys and name ha) (resid 15 and resn LYS and name hg*) 
 
! 
! peak name 3dC745
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 88400.000000
! from proton shift 3.847000
! to proton shift 1.432500
! from heavyatom shift 58.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 745
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name ha) (resid 29 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC746
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 50000.000000
! from proton shift 4.123000
! to proton shift 0.807500
! from heavyatom shift 59.042000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 746
! note degeneracy 84, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn arg and name ha) (resid 44 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC748
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 69300.000000
! from proton shift 4.119000
! to proton shift 0.988500
! from heavyatom shift 58.118000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 748
! note degeneracy 75, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn leu and name ha) (resid 34 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 34 and resn leu and name ha) (resid 34 and resn leu and name hg) 
 
! 
! peak name 3dC749
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 19600.000000
! from proton shift 4.638000
! to proton shift 1.007500
! from heavyatom shift 57.818000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 749
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name ha) (resid 7 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC75
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29600.000000
! from proton shift 3.747000
! to proton shift 0.904500
! from heavyatom shift 65.181000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 75
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name ha) (resid 58 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC750
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 112000.000000
! from proton shift 3.848000
! to proton shift 0.810500
! from heavyatom shift 58.275000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 750
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name ha) (resid 29 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC755
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14700.000000
! from proton shift 3.707000
! to proton shift 4.031500
! from heavyatom shift 58.558000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 755
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn gln and name ha) (resid 27 and resn GLY and name ha*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC757
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 88500.000000
! from proton shift 4.656000
! to proton shift 2.861500
! from heavyatom shift 57.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 757
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name ha) (resid 33 and resn ASP and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC758
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16100.000000
! from proton shift 4.654000
! to proton shift 3.195500
! from heavyatom shift 57.788000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 758
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name ha) (resid 36 and resn HIS and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC759
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27700.000000
! from proton shift 4.649000
! to proton shift 3.326500
! from heavyatom shift 57.587000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 759
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name ha) (resid 36 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC760
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 56000.000000
! from proton shift 4.512000
! to proton shift 2.781500
! from heavyatom shift 57.480000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 760
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn asp and name ha) (resid 56 and resn ASP and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC762
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 24100.000000
! from proton shift 4.315000
! to proton shift 2.411500
! from heavyatom shift 56.818000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 762
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 3 and resn gln and name ha) (resid 3 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC766
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 4.203000
! to proton shift 0.670500
! from heavyatom shift 56.002000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 766
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 83 and resn leu and name ha) (resid 83 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC767
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 27200.000000
! from proton shift 4.212000
! to proton shift 0.727500
! from heavyatom shift 55.976000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 767
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 83 and resn leu and name ha) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 83 and resn leu and name ha) (resid 83 and resn leu and name hg) 
 
! 
! peak name 3dC768
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 61600.000000
! from proton shift 4.765000
! to proton shift 3.704500
! from heavyatom shift 53.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 768
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn lys and name ha) (resid 20 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC769
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 74400.000000
! from proton shift 4.756000
! to proton shift 1.937500
! from heavyatom shift 54.076000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 769
! note degeneracy 50, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn lys and name ha) (resid 19 and resn LYS and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC770
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 68500.000000
! from proton shift 4.752000
! to proton shift 1.807500
! from heavyatom shift 54.110000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 770
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn lys and name ha) (resid 19 and resn LYS and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC771
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 4.772000
! to proton shift 1.567500
! from heavyatom shift 54.063000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 771
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn lys and name ha) (resid 39 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC772
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 60400.000000
! from proton shift 4.752000
! to proton shift 1.524500
! from heavyatom shift 54.099000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 772
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn lys and name ha) (resid 19 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC776
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38600.000000
! from proton shift 4.196000
! to proton shift 2.019500
! from heavyatom shift 54.452000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 776
! note degeneracy 75, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name ha) (resid 49 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC777
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 17700.000000
! from proton shift 4.185000
! to proton shift 0.937500
! from heavyatom shift 54.559000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 777
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name ha) (resid 77 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC779
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 51100.000000
! from proton shift 4.384000
! to proton shift 1.696500
! from heavyatom shift 54.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 779
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name ha) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC780
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 37200.000000
! from proton shift 4.391000
! to proton shift 1.807500
! from heavyatom shift 54.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 780
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name ha) (resid 81 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC786
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 43300.000000
! from proton shift 2.485000
! to proton shift 1.691500
! from heavyatom shift 42.534000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 786
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 66 and resn ARG and name hd*) (resid 66 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC787
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 31300.000000
! from proton shift 2.482000
! to proton shift 1.404500
! from heavyatom shift 42.362000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 787
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 66 and resn ARG and name hd*) (resid 66 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC79
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 68700.000000
! from proton shift 3.926000
! to proton shift 2.458500
! from heavyatom shift 59.243000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 79
! note degeneracy 45, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name ha) (resid 8 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC791
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 40100.000000
! from proton shift 2.161000
! to proton shift 1.695500
! from heavyatom shift 42.449000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 791
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 66 and resn ARG and name hd*) (resid 66 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC792
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35000.000000
! from proton shift 2.164000
! to proton shift 1.408500
! from heavyatom shift 42.527000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 792
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 66 and resn ARG and name hd*) (resid 66 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC795
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 275000.000000
! from proton shift 3.042000
! to proton shift 1.761500
! from heavyatom shift 41.977000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 795
! note degeneracy 108, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name he*) (resid 15 and resn LYS and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC796
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 70000.000000
! from proton shift 3.029000
! to proton shift 2.022500
! from heavyatom shift 42.026000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 796
! note degeneracy 156, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name he*) (resid 53 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC797
! bounds 3.300000 1.800000
! likelihood 0.930000
! intensity 39500.000000
! from proton shift 3.026000
! to proton shift 2.213500
! from heavyatom shift 42.049000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 797
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name he*) (resid 49 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC8
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 68500.000000
! from proton shift 3.385000
! to proton shift 0.646500
! from heavyatom shift 67.498000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 8
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name ha) (resid 35 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC80
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 4.312000
! to proton shift 1.398500
! from heavyatom shift 52.883000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 80
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name ha) (resid 14 and resn ala and name hb#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC800
! bounds 3.300000 1.800000
! likelihood 0.950000
! intensity 45200.000000
! from proton shift 3.024000
! to proton shift 2.136500
! from heavyatom shift 42.037000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 800
! note degeneracy 138, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name he*) (resid 15 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC801
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 95200.000000
! from proton shift 3.031000
! to proton shift 1.602500
! from heavyatom shift 42.075000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 801
! note degeneracy 72, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn LYS and name he*) (resid 19 and resn LYS and name hg*) 2.250000 0.450000 0.450000 
    or (resid 53 and resn LYS and name he*) (resid 53 and resn LYS and name hg*) 
 
! 
! peak name 3dC802
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 97900.000000
! from proton shift 3.042000
! to proton shift 1.473500
! from heavyatom shift 42.057000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 802
! note degeneracy 90, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name he*) (resid 15 and resn LYS and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC807
! bounds 3.300000 1.800000
! likelihood 0.930000
! intensity 45800.000000
! from proton shift 3.028000
! to proton shift 2.407500
! from heavyatom shift 42.075000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 807
! note degeneracy 102, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name he*) (resid 49 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC808
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33900.000000
! from proton shift 3.169000
! to proton shift 2.401500
! from heavyatom shift 42.073000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 808
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name he*) (resid 49 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
    or (resid 53 and resn LYS and name he*) (resid 50 and resn LEU and name hb*) 
 
! 
! peak name 3dC815
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32200.000000
! from proton shift 2.860000
! to proton shift 4.403500
! from heavyatom shift 41.835000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 815
! note degeneracy 45, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn ASP and name hb*) (resid 30 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC818
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14600.000000
! from proton shift 2.878000
! to proton shift 4.133500
! from heavyatom shift 41.886000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 818
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn ASP and name hb*) (resid 32 and resn leu and name ha) 3.900000 2.100000 2.100000 
    or (resid 33 and resn ASP and name hb*) (resid 34 and resn leu and name ha) 
 
! 
! peak name 3dC822
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20500.000000
! from proton shift 2.365000
! to proton shift 4.143500
! from heavyatom shift 42.022000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 822
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hb*) (resid 32 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC823
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23300.000000
! from proton shift 2.365000
! to proton shift 3.845500
! from heavyatom shift 42.089000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 823
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hb*) (resid 29 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC827
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 19600.000000
! from proton shift 3.147000
! to proton shift 0.833500
! from heavyatom shift 42.150000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 827
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 17 and resn PHE and name hb*) (resid 16 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC828
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 31800.000000
! from proton shift 3.170000
! to proton shift 2.027500
! from heavyatom shift 42.243000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 828
! note degeneracy 87, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name he*) (resid 31 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 53 and resn LYS and name he*) (resid 49 and resn GLU and name hb*) 
    or (resid 53 and resn LYS and name he*) (resid 53 and resn LYS and name hb*) 
 
! 
! peak name 3dC84
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 37700.000000
! from proton shift 2.881000
! to proton shift 4.473500
! from heavyatom shift 37.613000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 84
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn ASN and name hb*) (resid 55 and resn asn and name ha) 2.550000 0.750000 0.750000 
    or (resid 67 and resn ASN and name hb*) (resid 67 and resn asn and name ha) 
 
! 
! peak name 3dC841
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 63600.000000
! from proton shift 1.618000
! to proton shift 4.201500
! from heavyatom shift 41.821000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 841
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn LEU and name hb*) (resid 70 and resn leu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC844
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17000.000000
! from proton shift 1.803000
! to proton shift 3.744500
! from heavyatom shift 42.023000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 844
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn LEU and name hb*) (resid 78 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC846
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20100.000000
! from proton shift 1.806000
! to proton shift 4.382500
! from heavyatom shift 42.109000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 846
! note degeneracy 51, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC847
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23400.000000
! from proton shift 1.529000
! to proton shift 4.378500
! from heavyatom shift 42.151000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 847
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC848
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 18700.000000
! from proton shift 1.405000
! to proton shift 3.851500
! from heavyatom shift 42.119000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 848
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hb*) (resid 29 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC849
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 24400.000000
! from proton shift 1.423000
! to proton shift 4.143500
! from heavyatom shift 42.119000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 849
! note degeneracy 63, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn LEU and name hb*) (resid 32 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC853
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 54600.000000
! from proton shift 2.991000
! to proton shift 1.347500
! from heavyatom shift 41.976000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 853
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name he*) (resid 11 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC855
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 53400.000000
! from proton shift 3.016000
! to proton shift 1.001500
! from heavyatom shift 41.886000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 855
! note degeneracy 84, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name he*) (resid 50 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC859
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 23700.000000
! from proton shift 2.434000
! to proton shift 0.892500
! from heavyatom shift 41.875000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 859
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn LEU and name hb*) (resid 10 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 73 and resn LEU and name hb*) (resid 54 and resn ile and name hg12) 
 
! 
! peak name 3dC865
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 13800.000000
! from proton shift 3.122000
! to proton shift 0.654500
! from heavyatom shift 39.535000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 865
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn TYR and name hb*) (resid 70 and resn leu and name hg) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC867
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33100.000000
! from proton shift 1.932000
! to proton shift 3.750500
! from heavyatom shift 38.568000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 867
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hb) (resid 58 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC868
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 51800.000000
! from proton shift 3.201000
! to proton shift 4.338500
! from heavyatom shift 38.589000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 868
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn PHE and name hb*) (resid 48 and resn phe and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC873
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 19000.000000
! from proton shift 2.061000
! to proton shift 4.430500
! from heavyatom shift 38.595000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 873
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hb) (resid 51 and resn asn and name ha) 3.400000 1.600000 1.600000 
    or (resid 54 and resn ile and name hb) (resid 71 and resn thr and name ha) 
 
! 
! peak name 3dC875
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20500.000000
! from proton shift 1.941000
! to proton shift 1.178500
! from heavyatom shift 38.512000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 875
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hb) (resid 58 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC877
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 18200.000000
! from proton shift 2.869000
! to proton shift 1.002500
! from heavyatom shift 37.747000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 877
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 67 and resn ASN and name hb*) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 67 and resn ASN and name hb*) (resid 58 and resn ile and name hg2#) 
 
! 
! peak name 3dC878
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12800.000000
! from proton shift 2.871000
! to proton shift 0.907500
! from heavyatom shift 37.700000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 878
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 67 and resn ASN and name hb*) (resid 58 and resn ile and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC88
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 38700.000000
! from proton shift 2.790000
! to proton shift 4.407500
! from heavyatom shift 40.133000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 88
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn ASP and name hb*) (resid 30 and resn asp and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC884
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20600.000000
! from proton shift 2.531000
! to proton shift 1.345500
! from heavyatom shift 36.414000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 884
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn GLU and name hg*) (resid 71 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC887
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49600.000000
! from proton shift 1.931000
! to proton shift 4.001500
! from heavyatom shift 33.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 887
! note degeneracy 91, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn val and name hb) (resid 16 and resn val and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC888
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 42300.000000
! from proton shift 2.270000
! to proton shift 4.027500
! from heavyatom shift 32.955000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 888
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn GLN and name hg*) (resid 31 and resn gln and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC891
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25100.000000
! from proton shift 2.317000
! to proton shift 4.176500
! from heavyatom shift 32.137000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 891
! note degeneracy 81, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hb) (resid 74 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC892
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33400.000000
! from proton shift 3.185000
! to proton shift 4.411500
! from heavyatom shift 31.621000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 892
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn HIS and name hb*) (resid 36 and resn his and name ha) 3.400000 1.600000 1.600000 
    or (resid 36 and resn HIS and name hb*) (resid 37 and resn gln and name ha) 
 
! 
! peak name 3dC894
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 61100.000000
! from proton shift 2.039000
! to proton shift 3.330500
! from heavyatom shift 29.518000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 894
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn ARG and name hb*) (resid 41 and resn ARG and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC899
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82600.000000
! from proton shift 1.170000
! to proton shift 0.906500
! from heavyatom shift 29.104000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 899
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg11) (resid 58 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC9
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 40600.000000
! from proton shift 3.532000
! to proton shift 2.314500
! from heavyatom shift 66.375000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 9
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name ha) (resid 77 and resn val and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC900
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 24800.000000
! from proton shift 2.082000
! to proton shift 3.755500
! from heavyatom shift 29.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 900
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hg12) (resid 58 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC901
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 181000.000000
! from proton shift 1.758000
! to proton shift 1.140500
! from heavyatom shift 27.731000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 901
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hg11) (resid 21 and resn ile and name hg12) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC902
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 1.760000
! to proton shift 1.000500
! from heavyatom shift 27.572000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 902
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hg11) (resid 21 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC903
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 90200.000000
! from proton shift 1.761000
! to proton shift 0.856500
! from heavyatom shift 27.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 903
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hg11) (resid 21 and resn ile and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC909
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 35400.000000
! from proton shift 1.704000
! to proton shift 0.808500
! from heavyatom shift 26.625000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 909
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name hg*) (resid 29 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC918
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 392000.000000
! from proton shift 1.867000
! to proton shift 2.045500
! from heavyatom shift 27.095000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 918
! note degeneracy 62, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 41 and resn ARG and name hg*) (resid 41 and resn ARG and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC922
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 170000.000000
! from proton shift 2.067000
! to proton shift 1.874500
! from heavyatom shift 27.567000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 922
! note degeneracy 108, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hg*) (resid 20 and resn PRO and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC923
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 89100.000000
! from proton shift 2.065000
! to proton shift 2.373500
! from heavyatom shift 27.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 923
! note degeneracy 96, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn PRO and name hg*) (resid 20 and resn PRO and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC924
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 132000.000000
! from proton shift 2.144000
! to proton shift 2.459500
! from heavyatom shift 28.054000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 924
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn GLN and name hb*) (resid 26 and resn GLN and name hg*) 2.250000 0.450000 0.450000 
    or (resid 8 and resn GLN and name hb*) (resid 8 and resn GLN and name hg*) 
 
! 
! peak name 3dC925
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 75600.000000
! from proton shift 2.294000
! to proton shift 2.644500
! from heavyatom shift 28.343000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 925
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn GLN and name hb*) (resid 43 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC926
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 320000.000000
! from proton shift 2.256000
! to proton shift 2.465500
! from heavyatom shift 27.961000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 926
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 68 and resn GLN and name hb*) (resid 68 and resn GLN and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC928
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 58700.000000
! from proton shift 2.467000
! to proton shift 2.656500
! from heavyatom shift 28.220000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 928
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn GLN and name hb*) (resid 72 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC93
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29200.000000
! from proton shift 4.315000
! to proton shift 2.414500
! from heavyatom shift 58.801000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 93
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name ha) (resid 49 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
    or (resid 49 and resn glu and name ha) (resid 50 and resn LEU and name hb*) 
 
! 
! peak name 3dC930
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 48700.000000
! from proton shift 2.464000
! to proton shift 4.175500
! from heavyatom shift 28.234000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 930
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn GLN and name hb*) (resid 72 and resn gln and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC931
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 18900.000000
! from proton shift 2.468000
! to proton shift 4.421500
! from heavyatom shift 28.380000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 931
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn GLN and name hb*) (resid 69 and resn ala and name ha) 3.400000 1.600000 1.600000 
    or (resid 72 and resn GLN and name hb*) (resid 71 and resn thr and name ha) 
 
! 
! peak name 3dC933
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 25200.000000
! from proton shift 2.695000
! to proton shift 4.018500
! from heavyatom shift 28.491000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 933
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn GLN and name hb*) (resid 27 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
    or (resid 31 and resn GLN and name hb*) (resid 31 and resn gln and name ha) 
 
! 
! peak name 3dC934
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 24900.000000
! from proton shift 2.711000
! to proton shift 4.166500
! from heavyatom shift 28.512000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 934
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn GLN and name hb*) (resid 46 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC935
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 18100.000000
! from proton shift 2.831000
! to proton shift 4.202500
! from heavyatom shift 28.558000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 935
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn HIS and name hb*) (resid 64 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC94
! bounds 2.700000 1.800000
! likelihood 0.970000
! intensity 90600.000000
! from proton shift 4.321000
! to proton shift 2.219500
! from heavyatom shift 58.730000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 94
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name ha) (resid 49 and resn GLU and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC940
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 37200.000000
! from proton shift 1.245000
! to proton shift 2.095500
! from heavyatom shift 28.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 940
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg12) (resid 44 and resn ile and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC942
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 56400.000000
! from proton shift 1.029000
! to proton shift 2.411500
! from heavyatom shift 28.395000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 942
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hg) (resid 50 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC943
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15500.000000
! from proton shift 1.036000
! to proton shift 3.941500
! from heavyatom shift 28.399000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 943
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hg) (resid 50 and resn leu and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC944
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36500.000000
! from proton shift 1.231000
! to proton shift 3.535500
! from heavyatom shift 28.623000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 944
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg12) (resid 44 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC945
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16100.000000
! from proton shift 1.236000
! to proton shift 4.118500
! from heavyatom shift 28.398000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 945
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg12) (resid 41 and resn arg and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC946
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29800.000000
! from proton shift 1.590000
! to proton shift 3.536500
! from heavyatom shift 28.594000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 946
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg11) (resid 44 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC948
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 39400.000000
! from proton shift 1.700000
! to proton shift 2.849500
! from heavyatom shift 29.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 948
! note degeneracy 50, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn LYS and name hd*) (resid 11 and resn LYS and name he*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC95
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 89400.000000
! from proton shift 4.322000
! to proton shift 2.020500
! from heavyatom shift 58.814000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 95
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name ha) (resid 49 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC950
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15300.000000
! from proton shift 1.686000
! to proton shift 2.759500
! from heavyatom shift 29.838000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 950
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn LYS and name hd*) (resid 51 and resn ASN and name hb*) 3.900000 2.100000 2.100000 
    or (resid 52 and resn LYS and name hd*) (resid 52 and resn LYS and name he*) 
 
! 
! peak name 3dC952
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 47100.000000
! from proton shift 1.364000
! to proton shift 1.609500
! from heavyatom shift 29.871000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 952
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name hd*) (resid 53 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC954
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 43700.000000
! from proton shift 1.352000
! to proton shift 1.860500
! from heavyatom shift 29.905000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 954
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name hd*) (resid 53 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC955
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 51800.000000
! from proton shift 1.350000
! to proton shift 2.046500
! from heavyatom shift 29.856000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 955
! note degeneracy 62, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name hd*) (resid 53 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC957
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17200.000000
! from proton shift 1.352000
! to proton shift 3.018500
! from heavyatom shift 29.738000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 957
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name hd*) (resid 53 and resn LYS and name he*) 3.400000 1.600000 1.600000 
    or (resid 13 and resn ARG and name hb*) (resid 13 and resn ARG and name hd*) 
 
! 
! peak name 3dC958
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15200.000000
! from proton shift 1.339000
! to proton shift 3.179500
! from heavyatom shift 29.850000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 958
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name hd*) (resid 53 and resn LYS and name he*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC96
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 52700.000000
! from proton shift 3.710000
! to proton shift 1.867500
! from heavyatom shift 57.673000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 96
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn leu and name ha) (resid 10 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
    or (resid 10 and resn leu and name ha) (resid 13 and resn ARG and name hb*) 
 
! 
! peak name 3dC960
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17700.000000
! from proton shift 1.366000
! to proton shift 1.004500
! from heavyatom shift 29.864000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 960
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LYS and name hd*) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 53 and resn LYS and name hd*) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC962
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 75800.000000
! from proton shift 0.916000
! to proton shift 2.073500
! from heavyatom shift 30.040000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 962
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC964
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 187000.000000
! from proton shift 1.857000
! to proton shift 1.635500
! from heavyatom shift 30.354000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 964
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn ARG and name hb*) (resid 13 and resn ARG and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC965
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 385000.000000
! from proton shift 1.766000
! to proton shift 1.575500
! from heavyatom shift 29.224000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 965
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn LYS and name hd*) (resid 39 and resn LYS and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC966
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 43900.000000
! from proton shift 1.766000
! to proton shift 2.103500
! from heavyatom shift 29.395000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 966
! note degeneracy 112, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn LYS and name hd*) (resid 15 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC967
! bounds 2.700000 1.800000
! likelihood 0.940000
! intensity 163000.000000
! from proton shift 1.453000
! to proton shift 0.624500
! from heavyatom shift 18.569000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 967
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name hb#) (resid 4 and resn ile and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC968
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 49500.000000
! from proton shift 1.460000
! to proton shift 0.715500
! from heavyatom shift 18.513000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 968
! note degeneracy 50, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name hb#) (resid 81 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
    or (resid 46 and resn ala and name hb#) (resid 81 and resn LEU and name hd*) 
 
! 
! peak name 3dC969
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 155000.000000
! from proton shift 1.452000
! to proton shift 0.876500
! from heavyatom shift 18.214000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 969
! note degeneracy 55, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name hb#) (resid 10 and resn LEU and name hd*) 2.750000 0.950000 0.950000 
    or (resid 69 and resn ala and name hb#) (resid 70 and resn LEU and name hd*) 
 
! 
! peak name 3dC97
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 45400.000000
! from proton shift 3.712000
! to proton shift 1.326500
! from heavyatom shift 57.775000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 97
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn leu and name ha) (resid 10 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC971
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 158000.000000
! from proton shift 1.440000
! to proton shift 1.067500
! from heavyatom shift 18.146000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 971
! note degeneracy 70, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name hb#) (resid 35 and resn VAL and name hg*) 2.750000 0.950000 0.950000 
    or (resid 46 and resn ala and name hb#) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dC973
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 37200.000000
! from proton shift 1.444000
! to proton shift 2.021500
! from heavyatom shift 18.245000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 973
! note degeneracy 125, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name hb#) (resid 34 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
    or (resid 46 and resn ala and name hb#) (resid 49 and resn GLU and name hb*) 
 
! 
! peak name 3dC975
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 29900.000000
! from proton shift 1.457000
! to proton shift 2.478500
! from heavyatom shift 18.307000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 975
! note degeneracy 80, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name hb#) (resid 66 and resn ARG and name hd*) 3.650000 1.850000 1.850000 
    or (resid 69 and resn ala and name hb#) (resid 68 and resn GLN and name hg*) 
    or (resid 69 and resn ala and name hb#) (resid 72 and resn GLN and name hb*) 
    or (resid 46 and resn ala and name hb#) (resid 35 and resn val and name hb) 
 
! 
! peak name 3dC976
! bounds 3.300000 1.800000
! likelihood 0.960000
! intensity 38200.000000
! from proton shift 1.457000
! to proton shift 3.017500
! from heavyatom shift 18.341000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 976
! note degeneracy 50, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn ala and name hb#) (resid 17 and resn PHE and name hb*) 2.800000 1.000000 1.000000 
    or (resid 69 and resn ala and name hb#) (resid 13 and resn ARG and name hd*) 
 
! 
! peak name 3dC979
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 50800.000000
! from proton shift 1.410000
! to proton shift 3.928500
! from heavyatom shift 18.085000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 979
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name hb#) (resid 11 and resn lys and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC98
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 105000.000000
! from proton shift 3.711000
! to proton shift 0.878500
! from heavyatom shift 57.610000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 98
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn leu and name ha) (resid 10 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC980
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32700.000000
! from proton shift 1.458000
! to proton shift 4.037500
! from heavyatom shift 18.157000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 980
! note degeneracy 50, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name hb#) (resid 31 and resn gln and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC981
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82800.000000
! from proton shift 1.410000
! to proton shift 4.306500
! from heavyatom shift 18.147000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 981
! note degeneracy 75, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name hb#) (resid 14 and resn ala and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC983
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 243000.000000
! from proton shift 1.566000
! to proton shift 4.117500
! from heavyatom shift 18.553000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 983
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hb#) (resid 59 and resn ala and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC987
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 66000.000000
! from proton shift 0.999000
! to proton shift 4.004500
! from heavyatom shift 17.794000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 987
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn ile and name hg2#) (resid 21 and resn ile and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC988
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 71400.000000
! from proton shift 0.999000
! to proton shift 3.688500
! from heavyatom shift 18.011000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 988
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 54 and resn ile and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC989
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82600.000000
! from proton shift 0.935000
! to proton shift 4.159500
! from heavyatom shift 17.743000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 989
! note degeneracy 88, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hg2#) (resid 4 and resn ile and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC990
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 95300.000000
! from proton shift 0.849000
! to proton shift 3.532500
! from heavyatom shift 17.658000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 990
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hg2#) (resid 44 and resn ile and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC991
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 17600.000000
! from proton shift 1.002000
! to proton shift 3.316500
! from heavyatom shift 18.000000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 991
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 74 and resn LYS and name he*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC993
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 32400.000000
! from proton shift 1.003000
! to proton shift 3.056500
! from heavyatom shift 17.996000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 993
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 55 and resn ASN and name hb*) 3.650000 1.850000 1.850000 
    or (resid 54 and resn ile and name hg2#) (resid 67 and resn ASN and name hb*) 
 
! 
! peak name 3dC994
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 20100.000000
! from proton shift 1.002000
! to proton shift 2.416500
! from heavyatom shift 17.920000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 994
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 50 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 54 and resn ile and name hg2#) (resid 74 and resn LYS and name hb*) 
 
! 
! peak name 3dC995
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 30500.000000
! from proton shift 1.004000
! to proton shift 2.275500
! from heavyatom shift 17.877000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 995
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 72 and resn GLN and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC996
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 0.995000
! to proton shift 2.056500
! from heavyatom shift 18.008000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 996
! note degeneracy 90, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 54 and resn ile and name hb) 2.500000 0.700000 0.700000 
    or (resid 54 and resn ile and name hg2#) (resid 70 and resn LEU and name hb*) 
    or (resid 54 and resn ile and name hg2#) (resid 74 and resn LYS and name hb*) 
 
! 
! peak name 3dC997
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 56900.000000
! from proton shift 1.002000
! to proton shift 1.763500
! from heavyatom shift 17.898000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 997
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 73 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
    or (resid 21 and resn ile and name hg2#) (resid 21 and resn ile and name hg11) 
 
! 
! peak name 3dC999
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 252000.000000
! from proton shift 0.936000
! to proton shift 0.631500
! from heavyatom shift 17.676000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_13C_PEAKS.xeasy, peak 999
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn ile and name hg2#) (resid 4 and resn ile and name hd*) 2.750000 0.950000 0.950000 
    or (resid 4 and resn ile and name hg2#) (resid 35 and resn VAL and name hg*) 
 
!
! Converted from final Marvin NOEs
! Low-likelihood assignments were removed
!
! 
! peak name 3dN10
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 254000.000000
! from proton shift 8.169000
! to proton shift 7.756000
! from heavyatom shift 120.271000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 10
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 36 and resn his and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN100
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 168000.000000
! from proton shift 8.171000
! to proton shift 1.714000
! from heavyatom shift 120.273000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 100
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 34 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN101
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 694000.000000
! from proton shift 8.171000
! to proton shift 1.060000
! from heavyatom shift 120.273000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 101
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 35 and resn val and name hn) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dN102
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 197000.000000
! from proton shift 8.169000
! to proton shift 0.649000
! from heavyatom shift 120.280000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 102
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 35 and resn val and name hn) (resid 4 and resn ile and name hd*) 
 
! 
! peak name 3dN103
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 716000.000000
! from proton shift 7.797000
! to proton shift 1.308000
! from heavyatom shift 123.360000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 103
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hn) (resid 38 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN104
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 100000.000000
! from proton shift 7.927000
! to proton shift 1.308000
! from heavyatom shift 117.399000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 104
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name hn) (resid 38 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN105
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 242000.000000
! from proton shift 7.925000
! to proton shift 2.341000
! from heavyatom shift 117.454000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 105
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name hn) (resid 37 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN106
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 197000.000000
! from proton shift 7.926000
! to proton shift 2.619000
! from heavyatom shift 117.464000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 106
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name hn) (resid 37 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN107
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 427000.000000
! from proton shift 8.507000
! to proton shift 1.306000
! from heavyatom shift 116.995000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 107
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn lys and name hn) (resid 38 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN108
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 205000.000000
! from proton shift 8.509000
! to proton shift 1.525000
! from heavyatom shift 117.002000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 108
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn lys and name hn) (resid 39 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN109
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 300000.000000
! from proton shift 7.795000
! to proton shift 4.492000
! from heavyatom shift 123.344000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 109
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hn) (resid 38 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN11
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 274000.000000
! from proton shift 8.170000
! to proton shift 3.395000
! from heavyatom shift 120.254000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 11
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 35 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN110
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 84900.000000
! from proton shift 8.332000
! to proton shift 3.117000
! from heavyatom shift 119.822000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 110
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn asp and name hn) (resid 42 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN111
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 918000.000000
! from proton shift 8.011000
! to proton shift 1.639000
! from heavyatom shift 121.936000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 111
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hn) (resid 45 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN112
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 293000.000000
! from proton shift 8.011000
! to proton shift 4.302000
! from heavyatom shift 121.933000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 112
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hn) (resid 45 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN113
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 453000.000000
! from proton shift 8.010000
! to proton shift 2.096000
! from heavyatom shift 121.905000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 113
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hn) (resid 44 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN114
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 166000.000000
! from proton shift 7.605000
! to proton shift 3.544000
! from heavyatom shift 122.324000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 114
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 44 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN115
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 497000.000000
! from proton shift 7.603000
! to proton shift 2.095000
! from heavyatom shift 122.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 115
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 43 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
    or (resid 44 and resn ile and name hn) (resid 44 and resn ile and name hb) 
 
! 
! peak name 3dN116
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 197000.000000
! from proton shift 7.550000
! to proton shift 3.790000
! from heavyatom shift 121.885000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 116
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name hn) (resid 43 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN117
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 117000.000000
! from proton shift 7.550000
! to proton shift 3.122000
! from heavyatom shift 121.878000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 117
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name hn) (resid 42 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN118
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 78000.000000
! from proton shift 7.546000
! to proton shift 2.804000
! from heavyatom shift 121.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 118
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name hn) (resid 42 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN119
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 504000.000000
! from proton shift 8.095000
! to proton shift 1.638000
! from heavyatom shift 118.821000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 119
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn ser and name hn) (resid 45 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN12
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 323000.000000
! from proton shift 7.847000
! to proton shift 7.672000
! from heavyatom shift 119.971000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 12
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hn) (resid 60 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN120
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 878000.000000
! from proton shift 8.094000
! to proton shift 1.443000
! from heavyatom shift 118.791000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 120
! note degeneracy 51, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn ser and name hn) (resid 46 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN121
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 96500.000000
! from proton shift 8.009000
! to proton shift 1.462000
! from heavyatom shift 121.914000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 121
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hn) (resid 46 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN122
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 211000.000000
! from proton shift 8.011000
! to proton shift 0.859000
! from heavyatom shift 121.893000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 122
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hn) (resid 44 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 45 and resn ala and name hn) (resid 44 and resn ile and name hg2#) 
 
! 
! peak name 3dN123
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 382000.000000
! from proton shift 8.142000
! to proton shift 4.098000
! from heavyatom shift 118.193000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 123
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name hn) (resid 47 and resn ser and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN125
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 504000.000000
! from proton shift 8.246000
! to proton shift 3.179000
! from heavyatom shift 122.903000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 125
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn phe and name hn) (resid 48 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
    or (resid 48 and resn phe and name hn) (resid 48 and resn PHE and name hb*) 
 
! 
! peak name 3dN126
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 246000.000000
! from proton shift 7.750000
! to proton shift 3.196000
! from heavyatom shift 119.407000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 126
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name hn) (resid 48 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN127
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 317000.000000
! from proton shift 8.248000
! to proton shift 4.332000
! from heavyatom shift 122.971000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 127
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn phe and name hn) (resid 48 and resn phe and name ha) 3.400000 1.600000 1.600000 
    or (resid 48 and resn phe and name hn) (resid 49 and resn glu and name ha) 
 
! 
! peak name 3dN128
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 362000.000000
! from proton shift 7.748000
! to proton shift 4.330000
! from heavyatom shift 119.389000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 128
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name hn) (resid 48 and resn phe and name ha) 3.400000 1.600000 1.600000 
    or (resid 49 and resn glu and name hn) (resid 49 and resn glu and name ha) 
 
! 
! peak name 3dN129
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 496000.000000
! from proton shift 7.748000
! to proton shift 2.227000
! from heavyatom shift 119.372000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 129
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name hn) (resid 49 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN13
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 235000.000000
! from proton shift 7.847000
! to proton shift 8.704000
! from heavyatom shift 119.977000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 13
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hn) (resid 58 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN130
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 215000.000000
! from proton shift 8.071000
! to proton shift 3.933000
! from heavyatom shift 120.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 130
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hn) (resid 50 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN131
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 127000.000000
! from proton shift 8.069000
! to proton shift 4.330000
! from heavyatom shift 120.588000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 131
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hn) (resid 48 and resn phe and name ha) 3.400000 1.600000 1.600000 
    or (resid 50 and resn leu and name hn) (resid 49 and resn glu and name ha) 
 
! 
! peak name 3dN132
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 377000.000000
! from proton shift 8.069000
! to proton shift 1.463000
! from heavyatom shift 120.617000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 132
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN133
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 131000.000000
! from proton shift 8.067000
! to proton shift 1.742000
! from heavyatom shift 120.637000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 133
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hn) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN134
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 334000.000000
! from proton shift 8.070000
! to proton shift 2.031000
! from heavyatom shift 120.624000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 134
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn glu and name hn) (resid 74 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 75 and resn glu and name hn) (resid 76 and resn GLN and name hb*) 
    or (resid 50 and resn leu and name hn) (resid 49 and resn GLU and name hb*) 
    or (resid 50 and resn leu and name hn) (resid 52 and resn LYS and name hb*) 
 
! 
! peak name 3dN135
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 514000.000000
! from proton shift 7.784000
! to proton shift 2.100000
! from heavyatom shift 120.845000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 135
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name hn) (resid 49 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 52 and resn lys and name hn) (resid 52 and resn LYS and name hg*) 
 
! 
! peak name 3dN136
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 231000.000000
! from proton shift 7.784000
! to proton shift 4.334000
! from heavyatom shift 120.809000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 136
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name hn) (resid 48 and resn phe and name ha) 3.400000 1.600000 1.600000 
    or (resid 52 and resn lys and name hn) (resid 49 and resn glu and name ha) 
 
! 
! peak name 3dN137
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 312000.000000
! from proton shift 7.785000
! to proton shift 4.141000
! from heavyatom shift 120.807000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 137
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name hn) (resid 52 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN138
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 223000.000000
! from proton shift 8.220000
! to proton shift 4.235000
! from heavyatom shift 118.412000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 138
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn lys and name hn) (resid 53 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN139
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 547000.000000
! from proton shift 8.219000
! to proton shift 2.015000
! from heavyatom shift 118.413000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 139
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn lys and name hn) (resid 49 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 53 and resn lys and name hn) (resid 52 and resn LYS and name hb*) 
    or (resid 53 and resn lys and name hn) (resid 53 and resn LYS and name hb*) 
 
! 
! peak name 3dN14
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 392000.000000
! from proton shift 7.847000
! to proton shift 4.129000
! from heavyatom shift 120.037000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 14
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn lys and name hn) (resid 18 and resn ala and name ha) 3.400000 1.600000 1.600000 
    or (resid 59 and resn ala and name hn) (resid 59 and resn ala and name ha) 
 
! 
! peak name 3dN140
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 203000.000000
! from proton shift 8.219000
! to proton shift 1.621000
! from heavyatom shift 118.444000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 140
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn lys and name hn) (resid 53 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN143
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 249000.000000
! from proton shift 8.851000
! to proton shift 1.222000
! from heavyatom shift 110.917000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 143
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn thr and name hn) (resid 6 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 6 and resn thr and name hn) (resid 7 and resn VAL and name hg*) 
 
! 
! peak name 3dN144
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 77800.000000
! from proton shift 8.852000
! to proton shift 4.240000
! from heavyatom shift 110.903000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 144
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn thr and name hn) (resid 6 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN146
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 96000.000000
! from proton shift 8.663000
! to proton shift 1.484000
! from heavyatom shift 126.248000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 146
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 4 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN147
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 347000.000000
! from proton shift 8.966000
! to proton shift 2.097000
! from heavyatom shift 120.942000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 147
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name hn) (resid 7 and resn val and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN148
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 450000.000000
! from proton shift 8.967000
! to proton shift 1.210000
! from heavyatom shift 120.955000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 148
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name hn) (resid 6 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 7 and resn val and name hn) (resid 7 and resn VAL and name hg*) 
 
! 
! peak name 3dN149
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 188000.000000
! from proton shift 8.968000
! to proton shift 1.023000
! from heavyatom shift 120.941000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 149
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name hn) (resid 7 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN15
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 185000.000000
! from proton shift 7.486000
! to proton shift 7.692000
! from heavyatom shift 123.813000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 15
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hn) (resid 29 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN150
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 172000.000000
! from proton shift 8.366000
! to proton shift 1.023000
! from heavyatom shift 117.426000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 150
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 7 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN151
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 169000.000000
! from proton shift 8.365000
! to proton shift 1.215000
! from heavyatom shift 117.410000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 151
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 6 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 8 and resn gln and name hn) (resid 7 and resn VAL and name hg*) 
 
! 
! peak name 3dN152
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 137000.000000
! from proton shift 8.966000
! to proton shift 3.598000
! from heavyatom shift 120.923000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 152
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name hn) (resid 7 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN153
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 289000.000000
! from proton shift 8.366000
! to proton shift 3.938000
! from heavyatom shift 117.427000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 153
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 9 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 8 and resn gln and name hn) (resid 8 and resn gln and name ha) 
 
! 
! peak name 3dN154
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 259000.000000
! from proton shift 7.765000
! to proton shift 3.943000
! from heavyatom shift 118.870000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 154
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn glu and name hn) (resid 9 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 9 and resn glu and name hn) (resid 8 and resn gln and name ha) 
 
! 
! peak name 3dN155
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 588000.000000
! from proton shift 8.366000
! to proton shift 2.133000
! from heavyatom shift 117.436000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 155
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 8 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN156
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 71800.000000
! from proton shift 7.690000
! to proton shift 0.695000
! from heavyatom shift 108.070000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 156
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 82 and resn gly and name hn) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 82 and resn gly and name hn) (resid 83 and resn LEU and name hd*) 
 
! 
! peak name 3dN157
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 257000.000000
! from proton shift 7.669000
! to proton shift 4.053000
! from heavyatom shift 115.754000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 157
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn glu and name hn) (resid 60 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN158
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 242000.000000
! from proton shift 8.319000
! to proton shift 2.313000
! from heavyatom shift 115.353000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 158
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 77 and resn val and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN159
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 505000.000000
! from proton shift 8.132000
! to proton shift 4.022000
! from heavyatom shift 116.045000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 159
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 79 and resn ser and name hn) (resid 76 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 79 and resn ser and name hn) (resid 79 and resn SER and name hb*) 
 
! 
! peak name 3dN16
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 100000.000000
! from proton shift 7.486000
! to proton shift 8.153000
! from heavyatom shift 123.795000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 16
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hn) (resid 27 and resn gly and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN160
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 452000.000000
! from proton shift 8.131000
! to proton shift 4.325000
! from heavyatom shift 116.047000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 160
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 79 and resn ser and name hn) (resid 78 and resn thr and name hb) 3.400000 1.600000 1.600000 
    or (resid 79 and resn ser and name hn) (resid 79 and resn ser and name ha) 
 
! 
! peak name 3dN161
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 256000.000000
! from proton shift 8.319000
! to proton shift 4.314000
! from heavyatom shift 115.348000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 161
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 78 and resn thr and name hb) 3.400000 1.600000 1.600000 
    or (resid 78 and resn thr and name hn) (resid 79 and resn ser and name ha) 
 
! 
! peak name 3dN163
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 184000.000000
! from proton shift 8.652000
! to proton shift 3.539000
! from heavyatom shift 119.296000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 163
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hn) (resid 77 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN164
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 166000.000000
! from proton shift 8.318000
! to proton shift 3.748000
! from heavyatom shift 115.318000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 164
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 78 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN165
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 621000.000000
! from proton shift 8.373000
! to proton shift 1.469000
! from heavyatom shift 124.079000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 165
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name hn) (resid 80 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN166
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 275000.000000
! from proton shift 8.373000
! to proton shift 4.021000
! from heavyatom shift 124.059000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 166
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name hn) (resid 76 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 80 and resn ala and name hn) (resid 79 and resn SER and name hb*) 
    or (resid 80 and resn ala and name hn) (resid 82 and resn GLY and name ha*) 
 
! 
! peak name 3dN167
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 286000.000000
! from proton shift 8.372000
! to proton shift 4.196000
! from heavyatom shift 124.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 167
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name hn) (resid 80 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN168
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 73500.000000
! from proton shift 8.128000
! to proton shift 1.463000
! from heavyatom shift 116.017000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 168
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 79 and resn ser and name hn) (resid 80 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN169
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 126000.000000
! from proton shift 8.129000
! to proton shift 1.269000
! from heavyatom shift 116.061000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 169
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 79 and resn ser and name hn) (resid 78 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN17
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 495000.000000
! from proton shift 7.795000
! to proton shift 7.935000
! from heavyatom shift 123.354000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 17
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hn) (resid 37 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN170
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 175000.000000
! from proton shift 8.318000
! to proton shift 1.268000
! from heavyatom shift 115.369000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 170
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 78 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN171
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 74300.000000
! from proton shift 8.644000
! to proton shift 1.288000
! from heavyatom shift 119.149000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 171
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hn) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN172
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 478000.000000
! from proton shift 8.652000
! to proton shift 1.077000
! from heavyatom shift 119.302000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 172
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hn) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 77 and resn val and name hn) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dN173
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 415000.000000
! from proton shift 8.652000
! to proton shift 2.311000
! from heavyatom shift 119.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 173
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hn) (resid 77 and resn val and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN174
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 8.313000
! to proton shift 1.081000
! from heavyatom shift 115.291000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 174
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 77 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN175
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 8.319000
! to proton shift 0.947000
! from heavyatom shift 115.364000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 175
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 77 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN176
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 219000.000000
! from proton shift 8.319000
! to proton shift 8.647000
! from heavyatom shift 115.350000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 176
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 77 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN177
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 146000.000000
! from proton shift 8.316000
! to proton shift 8.133000
! from heavyatom shift 115.361000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 177
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 79 and resn ser and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN178
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 131000.000000
! from proton shift 8.507000
! to proton shift 3.122000
! from heavyatom shift 116.973000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 178
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn lys and name hn) (resid 42 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN18
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62900.000000
! from proton shift 7.798000
! to proton shift 8.502000
! from heavyatom shift 123.334000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 18
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hn) (resid 39 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN182
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59000.000000
! from proton shift 7.525000
! to proton shift 3.026000
! from heavyatom shift 118.283000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 182
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 67 and resn asn and name hn) (resid 67 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN185
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 271000.000000
! from proton shift 8.068000
! to proton shift 7.740000
! from heavyatom shift 120.575000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 185
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hn) (resid 49 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN186
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 72400.000000
! from proton shift 8.097000
! to proton shift 7.607000
! from heavyatom shift 118.780000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 186
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn ser and name hn) (resid 44 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN187
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 190000.000000
! from proton shift 8.011000
! to proton shift 8.151000
! from heavyatom shift 121.954000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 187
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hn) (resid 46 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN188
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56800.000000
! from proton shift 8.084000
! to proton shift 8.661000
! from heavyatom shift 120.834000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 188
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn glu and name hn) (resid 77 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN189
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46500.000000
! from proton shift 8.850000
! to proton shift 7.480000
! from heavyatom shift 118.988000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 189
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 28 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN19
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 281000.000000
! from proton shift 8.249000
! to proton shift 7.745000
! from heavyatom shift 123.019000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 19
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn phe and name hn) (resid 49 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN190
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 179000.000000
! from proton shift 8.662000
! to proton shift 1.463000
! from heavyatom shift 122.919000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 190
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name hn) (resid 66 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
    or (resid 69 and resn ala and name hn) (resid 69 and resn ala and name hb#) 
 
! 
! peak name 3dN191
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 71700.000000
! from proton shift 8.667000
! to proton shift 4.417000
! from heavyatom shift 122.872000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 191
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name hn) (resid 67 and resn asn and name ha) 3.400000 1.600000 1.600000 
    or (resid 69 and resn ala and name hn) (resid 69 and resn ala and name ha) 
 
! 
! peak name 3dN192
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 8.532000
! to proton shift 4.316000
! from heavyatom shift 121.720000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 192
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name hn) (resid 14 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN193
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 169000.000000
! from proton shift 7.855000
! to proton shift 5.027000
! from heavyatom shift 116.632000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 193
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 61 and resn his and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN194
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 152000.000000
! from proton shift 7.858000
! to proton shift 2.843000
! from heavyatom shift 116.626000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 194
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 61 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 61 and resn his and name hn) (resid 67 and resn ASN and name hb*) 
 
! 
! peak name 3dN195
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 276000.000000
! from proton shift 8.525000
! to proton shift 4.477000
! from heavyatom shift 119.110000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 195
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name hn) (resid 55 and resn asn and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN196
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 365000.000000
! from proton shift 8.526000
! to proton shift 3.052000
! from heavyatom shift 119.134000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 196
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name hn) (resid 55 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN198
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 57100.000000
! from proton shift 7.518000
! to proton shift 4.420000
! from heavyatom shift 118.318000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 198
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 67 and resn asn and name hn) (resid 64 and resn ser and name ha) 3.400000 1.600000 1.600000 
    or (resid 67 and resn asn and name hn) (resid 67 and resn asn and name ha) 
 
! 
! peak name 3dN199
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69200.000000
! from proton shift 7.512000
! to proton shift 2.858000
! from heavyatom shift 118.278000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 199
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 67 and resn asn and name hn) (resid 61 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 67 and resn asn and name hn) (resid 67 and resn ASN and name hb*) 
 
! 
! peak name 3dN2
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 260000.000000
! from proton shift 7.366000
! to proton shift 7.930000
! from heavyatom shift 117.866000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 2
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn leu and name hn) (resid 31 and resn gln and name hn) 3.400000 1.600000 1.600000 
    or (resid 34 and resn leu and name hn) (resid 33 and resn asp and name hn) 
    or (resid 34 and resn leu and name hn) (resid 37 and resn gln and name hn) 
 
! 
! peak name 3dN20
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 216000.000000
! from proton shift 7.905000
! to proton shift 8.559000
! from heavyatom shift 122.677000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 20
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn gln and name hn) (resid 70 and resn leu and name hn) 3.400000 1.600000 1.600000 
    or (resid 72 and resn gln and name hn) (resid 71 and resn thr and name hn) 
 
! 
! peak name 3dN200
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 79100.000000
! from proton shift 7.697000
! to proton shift 1.509000
! from heavyatom shift 108.047000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 200
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 82 and resn gly and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN201
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 112000.000000
! from proton shift 8.318000
! to proton shift 4.132000
! from heavyatom shift 115.339000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 201
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 75 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN202
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 111000.000000
! from proton shift 7.856000
! to proton shift 4.054000
! from heavyatom shift 116.598000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 202
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 60 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN204
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 93000.000000
! from proton shift 8.895000
! to proton shift 3.860000
! from heavyatom shift 122.836000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 204
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hn) (resid 29 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN205
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 102000.000000
! from proton shift 8.896000
! to proton shift 1.165000
! from heavyatom shift 122.838000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 205
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hn) (resid 32 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN208
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 88700.000000
! from proton shift 7.858000
! to proton shift 2.986000
! from heavyatom shift 116.632000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 208
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 61 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN209
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 242000.000000
! from proton shift 7.703000
! to proton shift 2.085000
! from heavyatom shift 120.152000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 209
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 29 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 29 and resn leu and name hn) (resid 31 and resn GLN and name hb*) 
 
! 
! peak name 3dN21
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 228000.000000
! from proton shift 7.905000
! to proton shift 8.382000
! from heavyatom shift 122.681000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 21
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn gln and name hn) (resid 73 and resn leu and name hn) 3.400000 1.600000 1.600000 
    or (resid 72 and resn gln and name hn) (resid 74 and resn lys and name hn) 
 
! 
! peak name 3dN210
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 201000.000000
! from proton shift 7.702000
! to proton shift 1.958000
! from heavyatom shift 120.121000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 210
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 28 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN211
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 406000.000000
! from proton shift 7.749000
! to proton shift 2.030000
! from heavyatom shift 119.404000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 211
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name hn) (resid 49 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN212
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 559000.000000
! from proton shift 7.784000
! to proton shift 2.004000
! from heavyatom shift 120.841000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 212
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name hn) (resid 52 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 52 and resn lys and name hn) (resid 53 and resn LYS and name hb*) 
 
! 
! peak name 3dN218
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 343000.000000
! from proton shift 8.363000
! to proton shift 1.989000
! from heavyatom shift 117.458000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 218
! note degeneracy 23, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 8 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN219
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 300000.000000
! from proton shift 8.509000
! to proton shift 1.820000
! from heavyatom shift 117.006000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 219
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn lys and name hn) (resid 39 and resn LYS and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN22
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 379000.000000
! from proton shift 8.224000
! to proton shift 8.731000
! from heavyatom shift 122.290000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 22
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn tyr and name hn) (resid 54 and resn ile and name hn) 3.400000 1.600000 1.600000 
    or (resid 57 and resn tyr and name hn) (resid 56 and resn asp and name hn) 
 
! 
! peak name 3dN220
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 368000.000000
! from proton shift 7.695000
! to proton shift 4.111000
! from heavyatom shift 108.053000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 220
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 82 and resn gly and name hn) (resid 82 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN221
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 327000.000000
! from proton shift 7.696000
! to proton shift 4.011000
! from heavyatom shift 108.040000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 221
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 82 and resn gly and name hn) (resid 79 and resn SER and name hb*) 3.400000 1.600000 1.600000 
    or (resid 82 and resn gly and name hn) (resid 82 and resn GLY and name ha*) 
 
! 
! peak name 3dN222
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 374000.000000
! from proton shift 7.783000
! to proton shift 1.785000
! from heavyatom shift 115.108000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 222
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN224
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 428000.000000
! from proton shift 7.925000
! to proton shift 2.081000
! from heavyatom shift 117.452000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 224
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name hn) (resid 37 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN225
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 227000.000000
! from proton shift 8.143000
! to proton shift 3.572000
! from heavyatom shift 118.195000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 225
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name hn) (resid 47 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN226
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 324000.000000
! from proton shift 7.904000
! to proton shift 4.188000
! from heavyatom shift 122.669000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 226
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn gln and name hn) (resid 72 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 72 and resn gln and name hn) (resid 73 and resn leu and name ha) 
 
! 
! peak name 3dN227
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 196000.000000
! from proton shift 7.905000
! to proton shift 2.661000
! from heavyatom shift 122.658000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 227
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn gln and name hn) (resid 72 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN228
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 386000.000000
! from proton shift 7.905000
! to proton shift 2.455000
! from heavyatom shift 122.678000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 228
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn gln and name hn) (resid 72 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 72 and resn gln and name hn) (resid 73 and resn LEU and name hb*) 
 
! 
! peak name 3dN229
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 263000.000000
! from proton shift 7.906000
! to proton shift 2.269000
! from heavyatom shift 122.661000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 229
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn gln and name hn) (resid 68 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 72 and resn gln and name hn) (resid 72 and resn GLN and name hb*) 
 
! 
! peak name 3dN23
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 326000.000000
! from proton shift 8.895000
! to proton shift 7.936000
! from heavyatom shift 122.855000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 23
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hn) (resid 31 and resn gln and name hn) 3.400000 1.600000 1.600000 
    or (resid 32 and resn leu and name hn) (resid 33 and resn asp and name hn) 
 
! 
! peak name 3dN230
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 644000.000000
! from proton shift 8.661000
! to proton shift 4.164000
! from heavyatom shift 126.245000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 230
! note degeneracy 23, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 4 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN231
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 83600.000000
! from proton shift 8.374000
! to proton shift 3.536000
! from heavyatom shift 124.092000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 231
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name hn) (resid 77 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN235
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 174000.000000
! from proton shift 8.249000
! to proton shift 4.098000
! from heavyatom shift 122.994000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 235
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn phe and name hn) (resid 47 and resn ser and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN236
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 83600.000000
! from proton shift 8.246000
! to proton shift 3.584000
! from heavyatom shift 123.013000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 236
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn phe and name hn) (resid 47 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN238
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 115000.000000
! from proton shift 7.904000
! to proton shift 1.349000
! from heavyatom shift 122.680000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 238
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn gln and name hn) (resid 71 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN24
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 145000.000000
! from proton shift 8.972000
! to proton shift 8.362000
! from heavyatom shift 121.024000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 24
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name hn) (resid 8 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN245
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62100.000000
! from proton shift 8.133000
! to proton shift 3.174000
! from heavyatom shift 118.221000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 245
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn ala and name hn) (resid 48 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
    or (resid 51 and resn asn and name hn) (resid 48 and resn PHE and name hb*) 
 
! 
! peak name 3dN247
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62100.000000
! from proton shift 8.329000
! to proton shift 2.812000
! from heavyatom shift 119.760000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 247
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn asp and name hn) (resid 42 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN248
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 76500.000000
! from proton shift 8.328000
! to proton shift 4.598000
! from heavyatom shift 119.857000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 248
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn asp and name hn) (resid 42 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN249
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70300.000000
! from proton shift 7.548000
! to proton shift 2.660000
! from heavyatom shift 121.926000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 249
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name hn) (resid 43 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN25
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 364000.000000
! from proton shift 8.423000
! to proton shift 8.655000
! from heavyatom shift 121.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 25
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn gln and name hn) (resid 77 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN250
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 302000.000000
! from proton shift 7.549000
! to proton shift 2.295000
! from heavyatom shift 121.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 250
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name hn) (resid 43 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN251
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 129000.000000
! from proton shift 7.552000
! to proton shift 2.104000
! from heavyatom shift 121.945000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 251
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name hn) (resid 43 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
    or (resid 43 and resn gln and name hn) (resid 44 and resn ile and name hb) 
 
! 
! peak name 3dN253
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 188000.000000
! from proton shift 7.549000
! to proton shift 1.299000
! from heavyatom shift 121.914000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 253
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name hn) (resid 38 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN254
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 79100.000000
! from proton shift 7.553000
! to proton shift 4.121000
! from heavyatom shift 121.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 254
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name hn) (resid 41 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN255
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 86300.000000
! from proton shift 7.549000
! to proton shift 4.592000
! from heavyatom shift 121.819000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 255
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn gln and name hn) (resid 42 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN258
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 140000.000000
! from proton shift 7.936000
! to proton shift 1.435000
! from heavyatom shift 119.037000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 258
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 29 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 33 and resn asp and name hn) (resid 32 and resn LEU and name hb*) 
 
! 
! peak name 3dN26
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 245000.000000
! from proton shift 7.766000
! to proton shift 8.392000
! from heavyatom shift 118.871000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 26
! note degeneracy 40, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn glu and name hn) (resid 10 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN260
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 106000.000000
! from proton shift 8.095000
! to proton shift 3.795000
! from heavyatom shift 118.864000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 260
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn ser and name hn) (resid 43 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN262
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 271000.000000
! from proton shift 8.116000
! to proton shift 4.391000
! from heavyatom shift 118.334000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 262
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn asn and name hn) (resid 51 and resn asn and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN263
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 280000.000000
! from proton shift 8.118000
! to proton shift 2.414000
! from heavyatom shift 118.308000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 263
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn asn and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN266
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 51700.000000
! from proton shift 8.214000
! to proton shift 0.742000
! from heavyatom shift 118.465000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 266
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn lys and name hn) (resid 54 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN268
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 95900.000000
! from proton shift 8.655000
! to proton shift 4.035000
! from heavyatom shift 119.259000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 268
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hn) (resid 76 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 77 and resn val and name hn) (resid 79 and resn SER and name hb*) 
 
! 
! peak name 3dN269
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 197000.000000
! from proton shift 8.653000
! to proton shift 2.705000
! from heavyatom shift 119.323000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 269
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hn) (resid 76 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN27
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 295000.000000
! from proton shift 8.130000
! to proton shift 8.351000
! from heavyatom shift 116.037000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 27
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 79 and resn ser and name hn) (resid 80 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN270
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 208000.000000
! from proton shift 8.652000
! to proton shift 0.944000
! from heavyatom shift 119.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 270
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hn) (resid 77 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN271
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 83900.000000
! from proton shift 8.652000
! to proton shift 0.658000
! from heavyatom shift 119.262000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 271
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hn) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN272
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 73400.000000
! from proton shift 8.225000
! to proton shift 3.926000
! from heavyatom shift 118.417000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 272
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn lys and name hn) (resid 50 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN273
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42900.000000
! from proton shift 8.218000
! to proton shift 3.051000
! from heavyatom shift 118.464000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 273
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn lys and name hn) (resid 53 and resn LYS and name he*) 3.400000 1.600000 1.600000 
    or (resid 53 and resn lys and name hn) (resid 55 and resn ASN and name hb*) 
 
! 
! peak name 3dN274
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 187000.000000
! from proton shift 7.706000
! to proton shift 0.681000
! from heavyatom shift 120.133000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 274
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 29 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN275
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 441000.000000
! from proton shift 7.704000
! to proton shift 1.445000
! from heavyatom shift 120.145000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 275
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 29 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN276
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 58300.000000
! from proton shift 7.699000
! to proton shift 1.018000
! from heavyatom shift 120.144000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 276
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 7 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN277
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61300.000000
! from proton shift 7.952000
! to proton shift 3.482000
! from heavyatom shift 121.593000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 277
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn gln and name hn) (resid 28 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN28
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 655000.000000
! from proton shift 7.670000
! to proton shift 7.842000
! from heavyatom shift 115.750000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 28
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn glu and name hn) (resid 59 and resn ala and name hn) 3.400000 1.600000 1.600000 
    or (resid 60 and resn glu and name hn) (resid 61 and resn his and name hn) 
 
! 
! peak name 3dN280
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 132000.000000
! from proton shift 7.604000
! to proton shift 4.132000
! from heavyatom shift 122.281000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 280
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 41 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN281
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 178000.000000
! from proton shift 7.603000
! to proton shift 2.295000
! from heavyatom shift 122.204000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 281
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 43 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN282
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 419000.000000
! from proton shift 7.603000
! to proton shift 1.598000
! from heavyatom shift 122.289000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 282
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 43 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN283
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 233000.000000
! from proton shift 7.603000
! to proton shift 1.250000
! from heavyatom shift 122.309000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 283
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 44 and resn ile and name hg12) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN284
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56800.000000
! from proton shift 7.905000
! to proton shift 3.904000
! from heavyatom shift 122.595000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 284
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn gln and name hn) (resid 71 and resn thr and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN285
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 249000.000000
! from proton shift 8.224000
! to proton shift 2.838000
! from heavyatom shift 122.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 285
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn tyr and name hn) (resid 55 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 57 and resn tyr and name hn) (resid 56 and resn ASP and name hb*) 
 
! 
! peak name 3dN286
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 304000.000000
! from proton shift 8.224000
! to proton shift 3.357000
! from heavyatom shift 122.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 286
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn tyr and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN287
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 95000.000000
! from proton shift 8.224000
! to proton shift 3.680000
! from heavyatom shift 122.330000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 287
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn tyr and name hn) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN288
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 255000.000000
! from proton shift 8.224000
! to proton shift 4.266000
! from heavyatom shift 122.359000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 288
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn tyr and name hn) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN29
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 214000.000000
! from proton shift 8.563000
! to proton shift 7.895000
! from heavyatom shift 116.926000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 29
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn leu and name hn) (resid 72 and resn gln and name hn) 3.400000 1.600000 1.600000 
    or (resid 71 and resn thr and name hn) (resid 72 and resn gln and name hn) 
 
! 
! peak name 3dN290
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 149000.000000
! from proton shift 8.661000
! to proton shift 5.071000
! from heavyatom shift 126.241000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 290
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 5 and resn phe and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN291
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 149000.000000
! from proton shift 8.663000
! to proton shift 3.599000
! from heavyatom shift 126.273000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 291
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 5 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN292
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 203000.000000
! from proton shift 8.663000
! to proton shift 2.909000
! from heavyatom shift 126.241000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 292
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 5 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN293
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 267000.000000
! from proton shift 8.663000
! to proton shift 0.935000
! from heavyatom shift 126.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 293
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 77 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN294
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 86700.000000
! from proton shift 8.662000
! to proton shift 0.643000
! from heavyatom shift 126.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 294
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 5 and resn phe and name hn) (resid 4 and resn ile and name hd*) 
 
! 
! peak name 3dN296
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 92400.000000
! from proton shift 8.853000
! to proton shift 3.603000
! from heavyatom shift 110.914000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 296
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn thr and name hn) (resid 5 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN297
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63800.000000
! from proton shift 8.846000
! to proton shift 2.917000
! from heavyatom shift 110.908000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 297
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn thr and name hn) (resid 5 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN298
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 239000.000000
! from proton shift 8.855000
! to proton shift 2.354000
! from heavyatom shift 110.925000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 298
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn thr and name hn) (resid 9 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN3
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 241000.000000
! from proton shift 7.367000
! to proton shift 8.164000
! from heavyatom shift 117.872000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 3
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn leu and name hn) (resid 35 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN30
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 153000.000000
! from proton shift 8.363000
! to proton shift 7.752000
! from heavyatom shift 117.430000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 30
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 9 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN300
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 284000.000000
! from proton shift 8.965000
! to proton shift 4.633000
! from heavyatom shift 120.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 300
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name hn) (resid 6 and resn thr and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN301
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 261000.000000
! from proton shift 8.965000
! to proton shift 4.228000
! from heavyatom shift 120.951000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 301
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn val and name hn) (resid 6 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN302
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 139000.000000
! from proton shift 8.366000
! to proton shift 2.469000
! from heavyatom shift 117.448000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 302
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 8 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN303
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61700.000000
! from proton shift 8.364000
! to proton shift 3.589000
! from heavyatom shift 117.396000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 303
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 7 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN304
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 8.365000
! to proton shift 4.624000
! from heavyatom shift 117.386000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 304
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 6 and resn thr and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN305
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 486000.000000
! from proton shift 7.765000
! to proton shift 2.348000
! from heavyatom shift 118.874000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 305
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn glu and name hn) (resid 9 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN307
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 227000.000000
! from proton shift 8.411000
! to proton shift 8.083000
! from heavyatom shift 121.252000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 307
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn gln and name hn) (resid 75 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN308
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 248000.000000
! from proton shift 8.411000
! to proton shift 4.040000
! from heavyatom shift 121.222000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 308
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn gln and name hn) (resid 76 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 76 and resn gln and name hn) (resid 79 and resn SER and name hb*) 
 
! 
! peak name 3dN31
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 166000.000000
! from proton shift 8.365000
! to proton shift 8.963000
! from heavyatom shift 117.409000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 31
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 7 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN311
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 358000.000000
! from proton shift 8.410000
! to proton shift 2.605000
! from heavyatom shift 121.252000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 311
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn gln and name hn) (resid 76 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN312
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 453000.000000
! from proton shift 8.390000
! to proton shift 2.445000
! from heavyatom shift 121.616000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 312
! note degeneracy 51, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name hn) (resid 72 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 73 and resn leu and name hn) (resid 72 and resn GLN and name hg*) 
    or (resid 73 and resn leu and name hn) (resid 73 and resn LEU and name hb*) 
    or (resid 73 and resn leu and name hn) (resid 74 and resn LYS and name hb*) 
 
! 
! peak name 3dN313
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 477000.000000
! from proton shift 8.408000
! to proton shift 2.282000
! from heavyatom shift 121.275000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 313
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn gln and name hn) (resid 72 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 76 and resn gln and name hn) (resid 75 and resn GLU and name hg*) 
 
! 
! peak name 3dN318
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 250000.000000
! from proton shift 8.669000
! to proton shift 3.941000
! from heavyatom shift 118.381000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 318
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name hn) (resid 9 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 11 and resn lys and name hn) (resid 11 and resn lys and name ha) 
    or (resid 11 and resn lys and name hn) (resid 8 and resn gln and name ha) 
 
! 
! peak name 3dN319
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49300.000000
! from proton shift 8.672000
! to proton shift 3.708000
! from heavyatom shift 118.387000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 319
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name hn) (resid 10 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN32
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 148000.000000
! from proton shift 7.738000
! to proton shift 8.660000
! from heavyatom shift 117.040000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 32
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn glu and name hn) (resid 11 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN320
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 495000.000000
! from proton shift 8.667000
! to proton shift 1.902000
! from heavyatom shift 118.390000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 320
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name hn) (resid 10 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 11 and resn lys and name hn) (resid 11 and resn LYS and name hb*) 
 
! 
! peak name 3dN321
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 166000.000000
! from proton shift 8.667000
! to proton shift 1.356000
! from heavyatom shift 118.389000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 321
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name hn) (resid 10 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 11 and resn lys and name hn) (resid 11 and resn LYS and name hg*) 
 
! 
! peak name 3dN324
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 238000.000000
! from proton shift 7.739000
! to proton shift 4.066000
! from heavyatom shift 117.040000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 324
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn glu and name hn) (resid 12 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN325
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 164000.000000
! from proton shift 7.741000
! to proton shift 3.939000
! from heavyatom shift 117.032000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 325
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn glu and name hn) (resid 9 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 12 and resn glu and name hn) (resid 11 and resn lys and name ha) 
    or (resid 12 and resn glu and name hn) (resid 8 and resn gln and name ha) 
 
! 
! peak name 3dN326
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 214000.000000
! from proton shift 7.741000
! to proton shift 2.382000
! from heavyatom shift 117.038000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 326
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn glu and name hn) (resid 12 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
    or (resid 12 and resn glu and name hn) (resid 12 and resn GLU and name hg*) 
 
! 
! peak name 3dN327
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 509000.000000
! from proton shift 7.740000
! to proton shift 2.111000
! from heavyatom shift 117.032000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 327
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn glu and name hn) (resid 12 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN328
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 242000.000000
! from proton shift 7.740000
! to proton shift 1.912000
! from heavyatom shift 117.035000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 328
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn glu and name hn) (resid 10 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 12 and resn glu and name hn) (resid 11 and resn LYS and name hb*) 
 
! 
! peak name 3dN33
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 212000.000000
! from proton shift 8.220000
! to proton shift 8.720000
! from heavyatom shift 118.435000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 33
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn lys and name hn) (resid 54 and resn ile and name hn) 3.400000 1.600000 1.600000 
    or (resid 53 and resn lys and name hn) (resid 56 and resn asp and name hn) 
 
! 
! peak name 3dN331
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 88400.000000
! from proton shift 7.709000
! to proton shift 3.717000
! from heavyatom shift 118.381000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 331
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name hn) (resid 10 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN332
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 225000.000000
! from proton shift 7.713000
! to proton shift 2.108000
! from heavyatom shift 118.443000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 332
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name hn) (resid 12 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN333
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 207000.000000
! from proton shift 7.710000
! to proton shift 1.886000
! from heavyatom shift 118.416000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 333
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name hn) (resid 10 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 13 and resn arg and name hn) (resid 13 and resn ARG and name hb*) 
 
! 
! peak name 3dN334
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 464000.000000
! from proton shift 7.709000
! to proton shift 1.673000
! from heavyatom shift 118.382000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 334
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name hn) (resid 13 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
    or (resid 13 and resn arg and name hn) (resid 13 and resn ARG and name hg*) 
 
! 
! peak name 3dN335
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 86800.000000
! from proton shift 7.708000
! to proton shift 1.435000
! from heavyatom shift 118.481000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 335
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name hn) (resid 13 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
    or (resid 13 and resn arg and name hn) (resid 14 and resn ala and name hb#) 
 
! 
! peak name 3dN336
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 53400.000000
! from proton shift 7.715000
! to proton shift 0.879000
! from heavyatom shift 118.375000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 336
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name hn) (resid 10 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN337
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 78300.000000
! from proton shift 8.526000
! to proton shift 4.139000
! from heavyatom shift 121.668000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 337
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name hn) (resid 13 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN338
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 58900.000000
! from proton shift 8.523000
! to proton shift 3.938000
! from heavyatom shift 121.748000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 338
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name hn) (resid 11 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN339
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 8.529000
! to proton shift 1.885000
! from heavyatom shift 121.695000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 339
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name hn) (resid 10 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 14 and resn ala and name hn) (resid 13 and resn ARG and name hb*) 
 
! 
! peak name 3dN34
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 291000.000000
! from proton shift 8.219000
! to proton shift 7.775000
! from heavyatom shift 118.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 34
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn lys and name hn) (resid 52 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN340
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 8.530000
! to proton shift 1.685000
! from heavyatom shift 121.678000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 340
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name hn) (resid 13 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN342
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59800.000000
! from proton shift 8.527000
! to proton shift 0.866000
! from heavyatom shift 121.659000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 342
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name hn) (resid 10 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN344
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 229000.000000
! from proton shift 7.547000
! to proton shift 4.118000
! from heavyatom shift 119.620000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 344
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn val and name hn) (resid 15 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN345
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 202000.000000
! from proton shift 7.547000
! to proton shift 1.935000
! from heavyatom shift 119.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 345
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn val and name hn) (resid 16 and resn val and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN346
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 230000.000000
! from proton shift 7.548000
! to proton shift 0.846000
! from heavyatom shift 119.652000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 346
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn val and name hn) (resid 16 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN349
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 228000.000000
! from proton shift 8.760000
! to proton shift 8.507000
! from heavyatom shift 121.349000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 349
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hn) (resid 55 and resn asn and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN35
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 274000.000000
! from proton shift 7.747000
! to proton shift 8.069000
! from heavyatom shift 119.365000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 35
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name hn) (resid 50 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN350
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 295000.000000
! from proton shift 8.758000
! to proton shift 8.216000
! from heavyatom shift 121.359000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 350
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hn) (resid 53 and resn lys and name hn) 3.400000 1.600000 1.600000 
    or (resid 54 and resn ile and name hn) (resid 57 and resn tyr and name hn) 
 
! 
! peak name 3dN352
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 228000.000000
! from proton shift 8.763000
! to proton shift 3.055000
! from heavyatom shift 121.295000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 352
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hn) (resid 55 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN353
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 625000.000000
! from proton shift 8.763000
! to proton shift 2.854000
! from heavyatom shift 121.307000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 353
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hn) (resid 55 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 54 and resn ile and name hn) (resid 56 and resn ASP and name hb*) 
 
! 
! peak name 3dN354
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45600.000000
! from proton shift 8.354000
! to proton shift 4.407000
! from heavyatom shift 116.414000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 354
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 22 and resn gly and name hn) (resid 22 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN355
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 74100.000000
! from proton shift 8.349000
! to proton shift 4.201000
! from heavyatom shift 116.537000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 355
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 22 and resn gly and name hn) (resid 22 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN357
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 367000.000000
! from proton shift 8.555000
! to proton shift 4.488000
! from heavyatom shift 116.953000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 357
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn leu and name hn) (resid 71 and resn thr and name ha) 3.400000 1.600000 1.600000 
    or (resid 71 and resn thr and name hn) (resid 71 and resn thr and name ha) 
 
! 
! peak name 3dN358
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 165000.000000
! from proton shift 8.565000
! to proton shift 3.902000
! from heavyatom shift 116.892000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 358
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hn) (resid 71 and resn thr and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN359
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 235000.000000
! from proton shift 8.553000
! to proton shift 1.341000
! from heavyatom shift 117.004000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 359
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn leu and name hn) (resid 71 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 71 and resn thr and name hn) (resid 71 and resn thr and name hg2#) 
 
! 
! peak name 3dN36
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 254000.000000
! from proton shift 7.937000
! to proton shift 7.360000
! from heavyatom shift 119.001000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 36
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 34 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN361
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 81800.000000
! from proton shift 8.503000
! to proton shift 2.822000
! from heavyatom shift 117.033000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 361
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn lys and name hn) (resid 42 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN363
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 72700.000000
! from proton shift 8.231000
! to proton shift 1.356000
! from heavyatom shift 121.466000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 363
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 23 and resn ala and name hn) (resid 23 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN365
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 8.226000
! to proton shift 4.514000
! from heavyatom shift 122.286000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 365
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn tyr and name hn) (resid 56 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN366
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54400.000000
! from proton shift 8.231000
! to proton shift 1.005000
! from heavyatom shift 122.419000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 366
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn tyr and name hn) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 57 and resn tyr and name hn) (resid 58 and resn ile and name hg2#) 
 
! 
! peak name 3dN367
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 8.013000
! to proton shift 4.597000
! from heavyatom shift 121.912000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 367
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hn) (resid 42 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN368
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 89300.000000
! from proton shift 8.009000
! to proton shift 4.142000
! from heavyatom shift 122.008000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 368
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hn) (resid 41 and resn arg and name ha) 3.400000 1.600000 1.600000 
    or (resid 45 and resn ala and name hn) (resid 46 and resn ala and name ha) 
 
! 
! peak name 3dN369
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 77300.000000
! from proton shift 8.013000
! to proton shift 3.552000
! from heavyatom shift 121.929000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 369
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hn) (resid 44 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN37
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 221000.000000
! from proton shift 7.936000
! to proton shift 8.890000
! from heavyatom shift 118.963000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 37
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 32 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN372
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 60500.000000
! from proton shift 8.369000
! to proton shift 0.646000
! from heavyatom shift 124.029000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 372
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name hn) (resid 81 and resn leu and name hg) 3.650000 1.850000 1.850000 
    or (resid 80 and resn ala and name hn) (resid 4 and resn ile and name hd*) 
 
! 
! peak name 3dN373
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 214000.000000
! from proton shift 8.374000
! to proton shift 7.774000
! from heavyatom shift 124.081000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 373
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name hn) (resid 81 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN374
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 210000.000000
! from proton shift 8.250000
! to proton shift 8.104000
! from heavyatom shift 123.017000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 374
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 48 and resn phe and name hn) (resid 47 and resn ser and name hn) 3.400000 1.600000 1.600000 
    or (resid 48 and resn phe and name hn) (resid 51 and resn asn and name hn) 
 
! 
! peak name 3dN375
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 53900.000000
! from proton shift 8.737000
! to proton shift 3.205000
! from heavyatom shift 119.625000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 375
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn gln and name hn) (resid 25 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN376
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 208000.000000
! from proton shift 8.736000
! to proton shift 2.132000
! from heavyatom shift 119.684000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 376
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn gln and name hn) (resid 26 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN377
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 51700.000000
! from proton shift 8.160000
! to proton shift 1.955000
! from heavyatom shift 104.676000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 377
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn gly and name hn) (resid 28 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN378
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 51100.000000
! from proton shift 7.491000
! to proton shift 1.431000
! from heavyatom shift 123.895000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 378
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hn) (resid 29 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN379
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 51400.000000
! from proton shift 7.698000
! to proton shift 7.937000
! from heavyatom shift 120.207000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 379
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 31 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN38
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 8.667000
! to proton shift 7.733000
! from heavyatom shift 118.387000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 38
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name hn) (resid 9 and resn glu and name hn) 3.400000 1.600000 1.600000 
    or (resid 11 and resn lys and name hn) (resid 12 and resn glu and name hn) 
 
! 
! peak name 3dN381
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 223000.000000
! from proton shift 8.854000
! to proton shift 1.437000
! from heavyatom shift 118.864000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 381
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 29 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 30 and resn asp and name hn) (resid 32 and resn LEU and name hb*) 
 
! 
! peak name 3dN384
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 58700.000000
! from proton shift 8.895000
! to proton shift 2.844000
! from heavyatom shift 122.729000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 384
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hn) (resid 33 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN385
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68000.000000
! from proton shift 8.901000
! to proton shift 1.758000
! from heavyatom shift 122.828000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 385
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hn) (resid 32 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 32 and resn leu and name hn) (resid 34 and resn LEU and name hd*) 
    or (resid 32 and resn leu and name hn) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dN386
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 119000.000000
! from proton shift 7.935000
! to proton shift 4.141000
! from heavyatom shift 119.041000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 386
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 32 and resn leu and name ha) 3.400000 1.600000 1.600000 
    or (resid 33 and resn asp and name hn) (resid 34 and resn leu and name ha) 
 
! 
! peak name 3dN387
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47900.000000
! from proton shift 7.935000
! to proton shift 3.863000
! from heavyatom shift 119.048000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 387
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 29 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN388
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 178000.000000
! from proton shift 8.171000
! to proton shift 1.446000
! from heavyatom shift 120.294000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 388
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 46 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN389
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 293000.000000
! from proton shift 8.171000
! to proton shift 4.133000
! from heavyatom shift 120.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 389
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 32 and resn leu and name ha) 3.400000 1.600000 1.600000 
    or (resid 35 and resn val and name hn) (resid 34 and resn leu and name ha) 
 
! 
! peak name 3dN39
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 214000.000000
! from proton shift 8.650000
! to proton shift 8.367000
! from heavyatom shift 119.275000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 39
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn val and name hn) (resid 74 and resn lys and name hn) 3.400000 1.600000 1.600000 
    or (resid 77 and resn val and name hn) (resid 80 and resn ala and name hn) 
 
! 
! peak name 3dN390
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 307000.000000
! from proton shift 7.771000
! to proton shift 4.399000
! from heavyatom shift 115.205000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 390
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name hn) (resid 36 and resn his and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN391
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 239000.000000
! from proton shift 7.773000
! to proton shift 0.664000
! from heavyatom shift 115.195000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 391
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name hn) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 81 and resn leu and name hn) (resid 81 and resn LEU and name hd*) 
    or (resid 81 and resn leu and name hn) (resid 81 and resn leu and name hg) 
 
! 
! peak name 3dN393
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 60600.000000
! from proton shift 7.782000
! to proton shift 3.752000
! from heavyatom shift 115.228000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 393
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name hn) (resid 78 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN396
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 637000.000000
! from proton shift 7.925000
! to proton shift 7.771000
! from heavyatom shift 117.447000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 396
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name hn) (resid 36 and resn his and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN397
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 346000.000000
! from proton shift 7.924000
! to proton shift 4.439000
! from heavyatom shift 117.448000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 397
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name hn) (resid 37 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN4
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 402000.000000
! from proton shift 7.372000
! to proton shift 4.110000
! from heavyatom shift 117.925000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 4
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn lys and name hn) (resid 15 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN40
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 430000.000000
! from proton shift 8.525000
! to proton shift 8.740000
! from heavyatom shift 119.138000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 40
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name hn) (resid 54 and resn ile and name hn) 3.400000 1.600000 1.600000 
    or (resid 55 and resn asn and name hn) (resid 56 and resn asp and name hn) 
 
! 
! peak name 3dN400
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67500.000000
! from proton shift 7.796000
! to proton shift 3.392000
! from heavyatom shift 123.421000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 400
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hn) (resid 35 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN401
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 61700.000000
! from proton shift 7.802000
! to proton shift 2.643000
! from heavyatom shift 123.381000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 401
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hn) (resid 43 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN403
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 414000.000000
! from proton shift 8.088000
! to proton shift 4.133000
! from heavyatom shift 120.805000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 403
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn glu and name hn) (resid 75 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN404
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 252000.000000
! from proton shift 7.783000
! to proton shift 2.771000
! from heavyatom shift 120.832000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 404
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name hn) (resid 51 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 52 and resn lys and name hn) (resid 52 and resn LYS and name he*) 
 
! 
! peak name 3dN407
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 136000.000000
! from proton shift 8.525000
! to proton shift 4.143000
! from heavyatom shift 119.103000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 407
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name hn) (resid 52 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN408
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 77300.000000
! from proton shift 8.520000
! to proton shift 3.693000
! from heavyatom shift 119.013000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 408
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name hn) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN41
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 240000.000000
! from proton shift 8.855000
! to proton shift 7.937000
! from heavyatom shift 118.876000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 41
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 31 and resn gln and name hn) 3.400000 1.600000 1.600000 
    or (resid 30 and resn asp and name hn) (resid 33 and resn asp and name hn) 
 
! 
! peak name 3dN410
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 350000.000000
! from proton shift 8.526000
! to proton shift 2.051000
! from heavyatom shift 119.119000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 410
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name hn) (resid 54 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN411
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 239000.000000
! from proton shift 8.525000
! to proton shift 1.004000
! from heavyatom shift 119.120000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 411
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asn and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 55 and resn asn and name hn) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dN414
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 123000.000000
! from proton shift 8.708000
! to proton shift 4.486000
! from heavyatom shift 120.755000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 414
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn asp and name hn) (resid 55 and resn asn and name ha) 3.400000 1.600000 1.600000 
    or (resid 58 and resn ile and name hn) (resid 55 and resn asn and name ha) 
 
! 
! peak name 3dN415
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68000.000000
! from proton shift 8.712000
! to proton shift 4.267000
! from heavyatom shift 120.719000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 415
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn asp and name hn) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000 
    or (resid 58 and resn ile and name hn) (resid 57 and resn tyr and name ha) 
 
! 
! peak name 3dN416
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 151000.000000
! from proton shift 8.705000
! to proton shift 3.746000
! from heavyatom shift 120.669000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 416
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hn) (resid 58 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN417
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 149000.000000
! from proton shift 8.708000
! to proton shift 3.362000
! from heavyatom shift 120.671000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 417
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn asp and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
    or (resid 58 and resn ile and name hn) (resid 57 and resn TYR and name hb*) 
 
! 
! peak name 3dN418
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49400.000000
! from proton shift 8.704000
! to proton shift 2.859000
! from heavyatom shift 120.802000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 418
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn asp and name hn) (resid 55 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 58 and resn ile and name hn) (resid 55 and resn ASN and name hb*) 
 
! 
! peak name 3dN419
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 153000.000000
! from proton shift 7.847000
! to proton shift 4.506000
! from heavyatom shift 119.999000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 419
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hn) (resid 56 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN42
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 174000.000000
! from proton shift 8.854000
! to proton shift 7.696000
! from heavyatom shift 118.879000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 42
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 29 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN420
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 99500.000000
! from proton shift 7.850000
! to proton shift 3.747000
! from heavyatom shift 120.047000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 420
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hn) (resid 58 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN421
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 339000.000000
! from proton shift 7.845000
! to proton shift 1.928000
! from heavyatom shift 120.089000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 421
! note degeneracy 69, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hn) (resid 58 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN422
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 916000.000000
! from proton shift 7.848000
! to proton shift 1.574000
! from heavyatom shift 119.977000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 422
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hn) (resid 59 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN423
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 146000.000000
! from proton shift 7.849000
! to proton shift 1.004000
! from heavyatom shift 119.962000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 423
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn ala and name hn) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 59 and resn ala and name hn) (resid 58 and resn ile and name hg2#) 
    or (resid 4 and resn ile and name hn) (resid 4 and resn ile and name hg2#) 
 
! 
! peak name 3dN425
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 144000.000000
! from proton shift 7.669000
! to proton shift 2.221000
! from heavyatom shift 115.739000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 425
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn glu and name hn) (resid 60 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN426
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 545000.000000
! from proton shift 7.670000
! to proton shift 1.599000
! from heavyatom shift 115.732000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 426
! note degeneracy 13, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn glu and name hn) (resid 60 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN427
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 49400.000000
! from proton shift 7.855000
! to proton shift 4.277000
! from heavyatom shift 116.577000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 427
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN428
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 98500.000000
! from proton shift 7.856000
! to proton shift 3.391000
! from heavyatom shift 116.656000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 428
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 62 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN429
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 73300.000000
! from proton shift 7.857000
! to proton shift 3.652000
! from heavyatom shift 116.606000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 429
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 62 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN43
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 193000.000000
! from proton shift 8.703000
! to proton shift 7.838000
! from heavyatom shift 120.654000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 43
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn asp and name hn) (resid 59 and resn ala and name hn) 3.400000 1.600000 1.600000 
    or (resid 58 and resn ile and name hn) (resid 59 and resn ala and name hn) 
    or (resid 58 and resn ile and name hn) (resid 61 and resn his and name hn) 
 
! 
! peak name 3dN430
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 78500.000000
! from proton shift 7.855000
! to proton shift 3.755000
! from heavyatom shift 116.657000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 430
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 58 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN431
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 8.668000
! to proton shift 2.251000
! from heavyatom shift 122.900000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 431
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name hn) (resid 68 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN434
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 73100.000000
! from proton shift 8.132000
! to proton shift 3.752000
! from heavyatom shift 116.014000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 434
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 79 and resn ser and name hn) (resid 78 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN435
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 74300.000000
! from proton shift 7.699000
! to proton shift 1.794000
! from heavyatom shift 108.042000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 435
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 82 and resn gly and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN437
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 123000.000000
! from proton shift 7.699000
! to proton shift 4.372000
! from heavyatom shift 108.046000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 437
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 82 and resn gly and name hn) (resid 81 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN44
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 161000.000000
! from proton shift 8.705000
! to proton shift 8.218000
! from heavyatom shift 120.698000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 44
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn asp and name hn) (resid 53 and resn lys and name hn) 3.400000 1.600000 1.600000 
    or (resid 56 and resn asp and name hn) (resid 57 and resn tyr and name hn) 
    or (resid 58 and resn ile and name hn) (resid 57 and resn tyr and name hn) 
 
! 
! peak name 3dN440
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 166000.000000
! from proton shift 7.867000
! to proton shift 4.206000
! from heavyatom shift 117.731000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 440
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 83 and resn leu and name hn) (resid 83 and resn leu and name ha) 3.400000 1.600000 1.600000 
    or (resid 83 and resn leu and name hn) (resid 84 and resn glu and name ha) 
 
! 
! peak name 3dN441
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 74600.000000
! from proton shift 7.870000
! to proton shift 3.752000
! from heavyatom shift 117.751000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 441
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 83 and resn leu and name hn) (resid 78 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN442
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 73600.000000
! from proton shift 7.871000
! to proton shift 1.273000
! from heavyatom shift 117.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 442
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 83 and resn leu and name hn) (resid 78 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN443
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 7.866000
! to proton shift 0.717000
! from heavyatom shift 117.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 443
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 83 and resn leu and name hn) (resid 83 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 83 and resn leu and name hn) (resid 83 and resn leu and name hg) 
 
! 
! peak name 3dN444
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 485000.000000
! from proton shift 8.068000
! to proton shift 2.414000
! from heavyatom shift 120.615000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 444
! note degeneracy 38, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 75 and resn glu and name hn) (resid 76 and resn GLN and name hb*) 
 
! 
! peak name 3dN445
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 308000.000000
! from proton shift 8.071000
! to proton shift 1.033000
! from heavyatom shift 120.621000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 445
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hn) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 50 and resn leu and name hn) (resid 50 and resn leu and name hg) 
 
! 
! peak name 3dN46
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 452000.000000
! from proton shift 8.092000
! to proton shift 8.374000
! from heavyatom shift 120.845000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 46
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn glu and name hn) (resid 73 and resn leu and name hn) 3.400000 1.600000 1.600000 
    or (resid 75 and resn glu and name hn) (resid 74 and resn lys and name hn) 
 
! 
! peak name 3dN47
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 257000.000000
! from proton shift 7.782000
! to proton shift 8.207000
! from heavyatom shift 120.822000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 47
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name hn) (resid 53 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN479
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 332000.000000
! from proton shift 7.759000
! to proton shift 7.917000
! from heavyatom shift 115.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 479
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name hn) (resid 33 and resn asp and name hn) 3.400000 1.600000 1.600000 
    or (resid 36 and resn his and name hn) (resid 37 and resn gln and name hn) 
 
! 
! peak name 3dN48
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 310000.000000
! from proton shift 8.012000
! to proton shift 7.600000
! from heavyatom shift 121.939000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 48
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn ala and name hn) (resid 44 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN480
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 213000.000000
! from proton shift 7.759000
! to proton shift 8.159000
! from heavyatom shift 115.315000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 480
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name hn) (resid 35 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN487
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 121000.000000
! from proton shift 7.373000
! to proton shift 7.529000
! from heavyatom shift 117.948000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 487
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn lys and name hn) (resid 16 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN489
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 59500.000000
! from proton shift 7.370000
! to proton shift 7.736000
! from heavyatom shift 118.069000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 489
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn lys and name hn) (resid 12 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN49
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 224000.000000
! from proton shift 8.390000
! to proton shift 7.903000
! from heavyatom shift 121.620000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 49
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name hn) (resid 72 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN490
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 97900.000000
! from proton shift 7.388000
! to proton shift 8.520000
! from heavyatom shift 118.071000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 490
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn lys and name hn) (resid 14 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN491
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 84800.000000
! from proton shift 7.936000
! to proton shift 8.182000
! from heavyatom shift 119.040000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 491
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 35 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN493
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 60800.000000
! from proton shift 7.948000
! to proton shift 1.713000
! from heavyatom shift 121.616000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 493
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn gln and name hn) (resid 34 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN495
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 74600.000000
! from proton shift 8.229000
! to proton shift 1.924000
! from heavyatom shift 122.158000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 495
! note degeneracy 44, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 57 and resn tyr and name hn) (resid 58 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN5
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 357000.000000
! from proton shift 7.366000
! to proton shift 2.863000
! from heavyatom shift 117.891000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 5
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn leu and name hn) (resid 33 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN50
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 201000.000000
! from proton shift 8.528000
! to proton shift 7.710000
! from heavyatom shift 121.718000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 50
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name hn) (resid 13 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN500
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65500.000000
! from proton shift 8.668000
! to proton shift 2.026000
! from heavyatom shift 126.361000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 500
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN501
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 8.661000
! to proton shift 1.301000
! from heavyatom shift 126.221000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 501
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN502
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 59100.000000
! from proton shift 8.660000
! to proton shift 1.100000
! from heavyatom shift 126.283000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 502
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 73 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN51
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 102000.000000
! from proton shift 8.530000
! to proton shift 7.385000
! from heavyatom shift 121.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 51
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 14 and resn ala and name hn) (resid 15 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN511
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 200000.000000
! from proton shift 8.359000
! to proton shift 8.081000
! from heavyatom shift 119.355000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 511
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name hn) (resid 75 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN514
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 544000.000000
! from proton shift 8.088000
! to proton shift 2.271000
! from heavyatom shift 120.820000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 514
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn glu and name hn) (resid 72 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 75 and resn glu and name hn) (resid 75 and resn GLU and name hg*) 
 
! 
! peak name 3dN515
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 249000.000000
! from proton shift 8.092000
! to proton shift 2.534000
! from heavyatom shift 120.826000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 515
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn glu and name hn) (resid 75 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN516
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 206000.000000
! from proton shift 8.411000
! to proton shift 2.021000
! from heavyatom shift 121.233000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 516
! note degeneracy 75, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn gln and name hn) (resid 74 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 76 and resn gln and name hn) (resid 76 and resn GLN and name hb*) 
 
! 
! peak name 3dN517
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 324000.000000
! from proton shift 8.390000
! to proton shift 1.752000
! from heavyatom shift 121.586000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 517
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn leu and name hn) (resid 32 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 73 and resn leu and name hn) (resid 73 and resn LEU and name hb*) 
 
! 
! peak name 3dN518
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 147000.000000
! from proton shift 8.705000
! to proton shift 1.173000
! from heavyatom shift 120.672000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 518
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hn) (resid 58 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN519
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 231000.000000
! from proton shift 8.711000
! to proton shift 1.009000
! from heavyatom shift 120.839000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 519
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hn) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 58 and resn ile and name hn) (resid 58 and resn ile and name hg2#) 
    or (resid 56 and resn asp and name hn) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dN52
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 8.376000
! to proton shift 8.115000
! from heavyatom shift 124.065000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 52
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 80 and resn ala and name hn) (resid 79 and resn ser and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN522
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 83900.000000
! from proton shift 7.596000
! to proton shift 3.796000
! from heavyatom shift 122.160000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 522
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 43 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN524
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 107000.000000
! from proton shift 7.785000
! to proton shift 1.477000
! from heavyatom shift 120.784000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 524
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn lys and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN53
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 57700.000000
! from proton shift 8.849000
! to proton shift 7.745000
! from heavyatom shift 110.863000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 53
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn thr and name hn) (resid 9 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN531
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 58400.000000
! from proton shift 8.849000
! to proton shift 3.699000
! from heavyatom shift 118.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 531
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 26 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN532
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 76600.000000
! from proton shift 8.653000
! to proton shift 1.477000
! from heavyatom shift 119.233000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 532
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn glu and name hn) (resid 81 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 77 and resn val and name hn) (resid 80 and resn ala and name hb#) 
 
! 
! peak name 3dN533
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 103000.000000
! from proton shift 8.643000
! to proton shift 1.638000
! from heavyatom shift 119.142000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 533
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn glu and name hn) (resid 83 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 84 and resn glu and name hn) (resid 83 and resn LEU and name hd*) 
 
! 
! peak name 3dN534
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 175000.000000
! from proton shift 8.651000
! to proton shift 2.001000
! from heavyatom shift 119.246000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 534
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn glu and name hn) (resid 84 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN535
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 48400.000000
! from proton shift 8.641000
! to proton shift 7.837000
! from heavyatom shift 119.284000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 535
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn glu and name hn) (resid 83 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN538
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 265000.000000
! from proton shift 8.360000
! to proton shift 1.022000
! from heavyatom shift 119.286000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 538
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 74 and resn lys and name hn) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dN539
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 81500.000000
! from proton shift 8.362000
! to proton shift 0.891000
! from heavyatom shift 119.250000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 539
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name hn) (resid 70 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN54
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 154000.000000
! from proton shift 7.708000
! to proton shift 8.522000
! from heavyatom shift 118.424000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 54
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name hn) (resid 14 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN540
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 75800.000000
! from proton shift 8.358000
! to proton shift 1.328000
! from heavyatom shift 119.368000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 540
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn ala and name hn) (resid 18 and resn ala and name hb#) 3.650000 1.850000 1.850000 
    or (resid 74 and resn lys and name hn) (resid 71 and resn thr and name hg2#) 
 
! 
! peak name 3dN542
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 162000.000000
! from proton shift 8.359000
! to proton shift 1.743000
! from heavyatom shift 119.279000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 542
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name hn) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 74 and resn lys and name hn) (resid 73 and resn LEU and name hb*) 
 
! 
! peak name 3dN543
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 372000.000000
! from proton shift 8.360000
! to proton shift 1.982000
! from heavyatom shift 119.307000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 543
! note degeneracy 69, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name hn) (resid 74 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN544
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 380000.000000
! from proton shift 8.361000
! to proton shift 2.133000
! from heavyatom shift 119.293000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 544
! note degeneracy 72, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name hn) (resid 74 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN546
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 223000.000000
! from proton shift 8.359000
! to proton shift 2.445000
! from heavyatom shift 119.317000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 546
! note degeneracy 51, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name hn) (resid 73 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 74 and resn lys and name hn) (resid 74 and resn LYS and name hb*) 
    or (resid 74 and resn lys and name hn) (resid 72 and resn GLN and name hb*) 
 
! 
! peak name 3dN548
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 372000.000000
! from proton shift 8.361000
! to proton shift 4.187000
! from heavyatom shift 119.324000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 548
! note degeneracy 78, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn lys and name hn) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000 
    or (resid 74 and resn lys and name hn) (resid 74 and resn lys and name ha) 
    or (resid 74 and resn lys and name hn) (resid 72 and resn gln and name ha) 
 
! 
! peak name 3dN549
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 302000.000000
! from proton shift 8.126000
! to proton shift 1.040000
! from heavyatom shift 118.300000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 549
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn asn and name hn) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 51 and resn asn and name hn) (resid 50 and resn leu and name hg) 
 
! 
! peak name 3dN55
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 299000.000000
! from proton shift 8.120000
! to proton shift 7.763000
! from heavyatom shift 118.328000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 55
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn asn and name hn) (resid 52 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN550
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 127000.000000
! from proton shift 8.124000
! to proton shift 2.031000
! from heavyatom shift 118.345000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 550
! note degeneracy 90, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn asn and name hn) (resid 49 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 51 and resn asn and name hn) (resid 52 and resn LYS and name hb*) 
    or (resid 51 and resn asn and name hn) (resid 74 and resn LYS and name hb*) 
    or (resid 46 and resn ala and name hn) (resid 49 and resn GLU and name hb*) 
 
! 
! peak name 3dN551
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 8.124000
! to proton shift 3.939000
! from heavyatom shift 118.352000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 551
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn asn and name hn) (resid 50 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN556
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66400.000000
! from proton shift 7.767000
! to proton shift 1.218000
! from heavyatom shift 118.942000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 556
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn glu and name hn) (resid 6 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 9 and resn glu and name hn) (resid 7 and resn VAL and name hg*) 
 
! 
! peak name 3dN557
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 57100.000000
! from proton shift 7.758000
! to proton shift 1.030000
! from heavyatom shift 119.213000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 557
! note degeneracy 39, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name hn) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN565
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43100.000000
! from proton shift 7.605000
! to proton shift 2.648000
! from heavyatom shift 122.216000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 565
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 43 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN566
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 117000.000000
! from proton shift 8.392000
! to proton shift 0.885000
! from heavyatom shift 121.555000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 566
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name hn) (resid 10 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 73 and resn leu and name hn) (resid 70 and resn LEU and name hd*) 
    or (resid 10 and resn leu and name hn) (resid 10 and resn LEU and name hd*) 
    or (resid 10 and resn leu and name hn) (resid 10 and resn leu and name hg) 
 
! 
! peak name 3dN567
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 134000.000000
! from proton shift 8.394000
! to proton shift 1.084000
! from heavyatom shift 121.489000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 567
! note degeneracy 33, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name hn) (resid 73 and resn leu and name hg) 3.650000 1.850000 1.850000 
    or (resid 73 and resn leu and name hn) (resid 77 and resn VAL and name hg*) 
 
! 
! peak name 3dN568
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 127000.000000
! from proton shift 7.924000
! to proton shift 3.326000
! from heavyatom shift 117.435000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 568
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name hn) (resid 36 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN569
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 100000.000000
! from proton shift 7.922000
! to proton shift 3.197000
! from heavyatom shift 117.437000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 569
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn gln and name hn) (resid 36 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN57
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 256000.000000
! from proton shift 7.747000
! to proton shift 8.239000
! from heavyatom shift 119.409000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 57
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name hn) (resid 48 and resn phe and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN570
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 439000.000000
! from proton shift 7.865000
! to proton shift 1.654000
! from heavyatom shift 117.731000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 570
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 83 and resn leu and name hn) (resid 83 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 83 and resn leu and name hn) (resid 83 and resn LEU and name hd*) 
 
! 
! peak name 3dN571
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 7.740000
! to proton shift 1.711000
! from heavyatom shift 116.965000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 571
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn glu and name hn) (resid 11 and resn LYS and name hd*) 3.400000 1.600000 1.600000 
    or (resid 12 and resn glu and name hn) (resid 11 and resn LYS and name hg*) 
 
! 
! peak name 3dN572
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 7.856000
! to proton shift 1.879000
! from heavyatom shift 116.653000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 572
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 60 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 61 and resn his and name hn) (resid 60 and resn GLU and name hg*) 
 
! 
! peak name 3dN573
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 478000.000000
! from proton shift 7.669000
! to proton shift 1.877000
! from heavyatom shift 115.731000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 573
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn glu and name hn) (resid 60 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 60 and resn glu and name hn) (resid 60 and resn GLU and name hg*) 
 
! 
! peak name 3dN574
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52200.000000
! from proton shift 8.316000
! to proton shift 1.644000
! from heavyatom shift 115.355000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 574
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 83 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 78 and resn thr and name hn) (resid 83 and resn LEU and name hd*) 
 
! 
! peak name 3dN575
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67800.000000
! from proton shift 8.317000
! to proton shift 3.557000
! from heavyatom shift 115.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 575
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 47 and resn SER and name hb*) 3.400000 1.600000 1.600000 
    or (resid 78 and resn thr and name hn) (resid 77 and resn val and name ha) 
 
! 
! peak name 3dN577
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 309000.000000
! from proton shift 7.756000
! to proton shift 3.327000
! from heavyatom shift 115.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 577
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name hn) (resid 36 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN578
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 215000.000000
! from proton shift 7.757000
! to proton shift 3.195000
! from heavyatom shift 115.295000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 578
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name hn) (resid 36 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN579
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 94400.000000
! from proton shift 7.758000
! to proton shift 4.666000
! from heavyatom shift 115.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 579
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name hn) (resid 33 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN58
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 106000.000000
! from proton shift 8.739000
! to proton shift 8.150000
! from heavyatom shift 119.810000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 58
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn gln and name hn) (resid 27 and resn gly and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN59
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 103000.000000
! from proton shift 8.158000
! to proton shift 8.725000
! from heavyatom shift 104.552000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 59
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn gly and name hn) (resid 26 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN597
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 59100.000000
! from proton shift 8.660000
! to proton shift 1.100000
! from heavyatom shift 126.283000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 597
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn phe and name hn) (resid 73 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN6
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 468000.000000
! from proton shift 7.371000
! to proton shift 2.014000
! from heavyatom shift 117.925000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 6
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn lys and name hn) (resid 15 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 34 and resn leu and name hn) (resid 34 and resn LEU and name hb*) 
 
! 
! peak name 3dN60
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 95000.000000
! from proton shift 8.157000
! to proton shift 7.475000
! from heavyatom shift 104.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 60
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn gly and name hn) (resid 28 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN608
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 57200.000000
! from proton shift 7.796000
! to proton shift 1.459000
! from heavyatom shift 123.390000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 608
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hn) (resid 46 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN61
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 141000.000000
! from proton shift 7.704000
! to proton shift 8.853000
! from heavyatom shift 120.148000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 61
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 30 and resn asp and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN612
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 109000.000000
! from proton shift 7.796000
! to proton shift 2.335000
! from heavyatom shift 123.335000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 612
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hn) (resid 37 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN618
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 230000.000000
! from proton shift 7.757000
! to proton shift 2.459000
! from heavyatom shift 115.313000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 618
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name hn) (resid 35 and resn val and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN619
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68000.000000
! from proton shift 8.159000
! to proton shift 2.420000
! from heavyatom shift 104.532000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 619
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn gly and name hn) (resid 26 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN62
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 148000.000000
! from proton shift 7.704000
! to proton shift 7.473000
! from heavyatom shift 120.144000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 62
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 28 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN621
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 8.159000
! to proton shift 2.128000
! from heavyatom shift 104.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 621
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn gly and name hn) (resid 26 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN624
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39200.000000
! from proton shift 8.320000
! to proton shift 0.669000
! from heavyatom shift 115.197000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 624
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn thr and name hn) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN625
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 81300.000000
! from proton shift 7.750000
! to proton shift 2.084000
! from heavyatom shift 115.387000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 625
! note degeneracy 56, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name hn) (resid 37 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN626
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 123000.000000
! from proton shift 7.759000
! to proton shift 1.051000
! from heavyatom shift 115.305000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 626
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn his and name hn) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN628
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 81300.000000
! from proton shift 8.348000
! to proton shift 4.005000
! from heavyatom shift 116.551000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 628
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 22 and resn gly and name hn) (resid 21 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN629
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56400.000000
! from proton shift 7.849000
! to proton shift 2.091000
! from heavyatom shift 116.599000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 629
! note degeneracy 29, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
    or (resid 61 and resn his and name hn) (resid 62 and resn PRO and name hg*) 
 
! 
! peak name 3dN63
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67200.000000
! from proton shift 8.508000
! to proton shift 7.797000
! from heavyatom shift 116.962000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 63
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn lys and name hn) (resid 38 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN630
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 126000.000000
! from proton shift 8.563000
! to proton shift 2.078000
! from heavyatom shift 116.916000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 630
! note degeneracy 87, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hn) (resid 58 and resn ile and name hg12) 3.400000 1.600000 1.600000 
    or (resid 71 and resn thr and name hn) (resid 70 and resn LEU and name hb*) 
    or (resid 70 and resn leu and name hn) (resid 70 and resn LEU and name hb*) 
 
! 
! peak name 3dN631
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52700.000000
! from proton shift 8.565000
! to proton shift 2.260000
! from heavyatom shift 116.944000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 631
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn leu and name hn) (resid 68 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 70 and resn leu and name hn) (resid 72 and resn GLN and name hb*) 
    or (resid 71 and resn thr and name hn) (resid 68 and resn GLN and name hb*) 
    or (resid 71 and resn thr and name hn) (resid 72 and resn GLN and name hb*) 
 
! 
! peak name 3dN632
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47500.000000
! from proton shift 8.553000
! to proton shift 2.446000
! from heavyatom shift 116.864000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 632
! note degeneracy 51, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hn) (resid 73 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 70 and resn leu and name hn) (resid 72 and resn GLN and name hb*) 
    or (resid 71 and resn thr and name hn) (resid 72 and resn GLN and name hb*) 
 
! 
! peak name 3dN633
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 885000.000000
! from proton shift 8.509000
! to proton shift 4.509000
! from heavyatom shift 117.004000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 633
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn lys and name hn) (resid 38 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN634
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62200.000000
! from proton shift 8.558000
! to proton shift 1.003000
! from heavyatom shift 116.910000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 634
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 71 and resn thr and name hn) (resid 54 and resn ile and name hg2#) 
    or (resid 71 and resn thr and name hn) (resid 58 and resn ile and name hg2#) 
    or (resid 70 and resn leu and name hn) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dN635
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68700.000000
! from proton shift 8.570000
! to proton shift 0.892000
! from heavyatom shift 116.966000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 635
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn leu and name hn) (resid 10 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 70 and resn leu and name hn) (resid 70 and resn LEU and name hd*) 
    or (resid 71 and resn thr and name hn) (resid 10 and resn LEU and name hd*) 
    or (resid 71 and resn thr and name hn) (resid 70 and resn LEU and name hd*) 
 
! 
! peak name 3dN636
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 264000.000000
! from proton shift 8.668000
! to proton shift 1.713000
! from heavyatom shift 118.386000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 636
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn lys and name hn) (resid 11 and resn LYS and name hd*) 3.400000 1.600000 1.600000 
    or (resid 11 and resn lys and name hn) (resid 11 and resn LYS and name hg*) 
 
! 
! peak name 3dN637
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 7.707000
! to proton shift 4.144000
! from heavyatom shift 118.397000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 637
! note degeneracy 42, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn arg and name hn) (resid 13 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN638
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 96400.000000
! from proton shift 8.220000
! to proton shift 1.020000
! from heavyatom shift 118.415000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 638
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn lys and name hn) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 53 and resn lys and name hn) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dN639
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 61300.000000
! from proton shift 8.222000
! to proton shift 2.789000
! from heavyatom shift 118.255000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 639
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn lys and name hn) (resid 52 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN64
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 220000.000000
! from proton shift 7.604000
! to proton shift 8.003000
! from heavyatom shift 122.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 64
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 45 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN641
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 148000.000000
! from proton shift 7.385000
! to proton shift 1.434000
! from heavyatom shift 118.037000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 641
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn lys and name hn) (resid 13 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
    or (resid 15 and resn lys and name hn) (resid 14 and resn ala and name hb#) 
    or (resid 34 and resn leu and name hn) (resid 32 and resn LEU and name hb*) 
    or (resid 34 and resn leu and name hn) (resid 46 and resn ala and name hb#) 
    or (resid 15 and resn lys and name hn) (resid 15 and resn LYS and name hg*) 
 
! 
! peak name 3dN642
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65400.000000
! from proton shift 7.390000
! to proton shift 4.305000
! from heavyatom shift 118.077000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 642
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn lys and name hn) (resid 14 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN644
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 252000.000000
! from proton shift 8.645000
! to proton shift 4.214000
! from heavyatom shift 119.237000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 644
! note degeneracy 46, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 84 and resn glu and name hn) (resid 83 and resn leu and name ha) 3.400000 1.600000 1.600000 
    or (resid 84 and resn glu and name hn) (resid 84 and resn glu and name ha) 
    or (resid 77 and resn val and name hn) (resid 74 and resn lys and name ha) 
 
! 
! peak name 3dN646
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69400.000000
! from proton shift 8.735000
! to proton shift 3.066000
! from heavyatom shift 119.739000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 646
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn gln and name hn) (resid 25 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN647
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 8.734000
! to proton shift 3.710000
! from heavyatom shift 119.740000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 647
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn gln and name hn) (resid 26 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN648
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68300.000000
! from proton shift 8.740000
! to proton shift 4.218000
! from heavyatom shift 119.646000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 648
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn gln and name hn) (resid 25 and resn tyr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN65
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 376000.000000
! from proton shift 7.856000
! to proton shift 7.669000
! from heavyatom shift 116.644000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 65
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn his and name hn) (resid 60 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN650
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 120000.000000
! from proton shift 8.735000
! to proton shift 2.409000
! from heavyatom shift 119.708000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 650
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn gln and name hn) (resid 26 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN652
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 95900.000000
! from proton shift 7.703000
! to proton shift 3.709000
! from heavyatom shift 120.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 652
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 26 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN654
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 267000.000000
! from proton shift 8.706000
! to proton shift 2.077000
! from heavyatom shift 120.733000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 654
! note degeneracy 58, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn ile and name hn) (resid 58 and resn ile and name hg12) 3.400000 1.600000 1.600000 
    or (resid 58 and resn ile and name hn) (resid 70 and resn LEU and name hb*) 
 
! 
! peak name 3dN655
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 346000.000000
! from proton shift 8.706000
! to proton shift 1.938000
! from heavyatom shift 120.675000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 655
! note degeneracy 50, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn asp and name hn) (resid 58 and resn ile and name hb) 3.400000 1.600000 1.600000 
    or (resid 58 and resn ile and name hn) (resid 58 and resn ile and name hb) 
 
! 
! peak name 3dN656
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65900.000000
! from proton shift 8.709000
! to proton shift 1.577000
! from heavyatom shift 120.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 656
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn asp and name hn) (resid 59 and resn ala and name hb#) 3.650000 1.850000 1.850000 
    or (resid 58 and resn ile and name hn) (resid 59 and resn ala and name hb#) 
 
! 
! peak name 3dN659
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42300.000000
! from proton shift 8.670000
! to proton shift 4.208000
! from heavyatom shift 122.975000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 659
! note degeneracy 26, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name hn) (resid 68 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 69 and resn ala and name hn) (resid 70 and resn leu and name ha) 
 
! 
! peak name 3dN66
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 361000.000000
! from proton shift 8.852000
! to proton shift 5.072000
! from heavyatom shift 110.951000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 66
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn thr and name hn) (resid 5 and resn phe and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN660
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54100.000000
! from proton shift 7.594000
! to proton shift 4.599000
! from heavyatom shift 122.112000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 660
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 42 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN665
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 222000.000000
! from proton shift 7.605000
! to proton shift 0.849000
! from heavyatom shift 122.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 665
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 44 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 44 and resn ile and name hn) (resid 44 and resn ile and name hg2#) 
 
! 
! peak name 3dN666
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 51500.000000
! from proton shift 7.609000
! to proton shift 0.655000
! from heavyatom shift 122.254000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 666
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn ile and name hn) (resid 35 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN67
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 367000.000000
! from proton shift 8.158000
! to proton shift 4.039000
! from heavyatom shift 104.569000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 67
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn gly and name hn) (resid 27 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN671
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44400.000000
! from proton shift 7.746000
! to proton shift 1.432000
! from heavyatom shift 116.844000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 671
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn glu and name hn) (resid 13 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
    or (resid 12 and resn glu and name hn) (resid 14 and resn ala and name hb#) 
 
! 
! peak name 3dN673
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65500.000000
! from proton shift 8.372000
! to proton shift 4.223000
! from heavyatom shift 117.504000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 673
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn gln and name hn) (resid 6 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN68
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 131000.000000
! from proton shift 7.484000
! to proton shift 4.038000
! from heavyatom shift 123.816000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 68
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hn) (resid 27 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN681
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44800.000000
! from proton shift 8.159000
! to proton shift 2.845000
! from heavyatom shift 120.221000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 681
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 33 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN682
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 49900.000000
! from proton shift 8.184000
! to proton shift 2.635000
! from heavyatom shift 120.299000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 682
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 31 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN683
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 77100.000000
! from proton shift 8.170000
! to proton shift 2.296000
! from heavyatom shift 120.349000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 683
! note degeneracy 22, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 31 and resn GLN and name hg*) 3.400000 1.600000 1.600000 

! 
! peak name 3dN69
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 472000.000000
! from proton shift 7.486000
! to proton shift 1.951000
! from heavyatom shift 123.841000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 69
! note degeneracy 25, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hn) (resid 28 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN696
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 60200.000000
! from proton shift 8.337000
! to proton shift 7.532000
! from heavyatom shift 119.781000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 696
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn asp and name hn) (resid 43 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN7
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 310000.000000
! from proton shift 7.369000
! to proton shift 1.757000
! from heavyatom shift 117.903000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 7
! note degeneracy 36, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn lys and name hn) (resid 15 and resn LYS and name hd*) 3.650000 1.850000 1.850000 
    or (resid 34 and resn leu and name hn) (resid 32 and resn LEU and name hd*) 
    or (resid 34 and resn leu and name hn) (resid 34 and resn LEU and name hd*) 
 
! 
! peak name 3dN70
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 7.485000
! to proton shift 3.476000
! from heavyatom shift 123.846000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 70
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hn) (resid 28 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN701
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 158000.000000
! from proton shift 7.864000
! to proton shift 7.693000
! from heavyatom shift 117.991000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 701
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 83 and resn leu and name hn) (resid 82 and resn gly and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN702
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 99200.000000
! from proton shift 7.931000
! to proton shift 2.070000
! from heavyatom shift 119.137000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 702
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 29 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 33 and resn asp and name hn) (resid 31 and resn GLN and name hb*) 
 
! 
! peak name 3dN704
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45800.000000
! from proton shift 8.163000
! to proton shift 3.728000
! from heavyatom shift 104.536000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 704
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn gly and name hn) (resid 26 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN71
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 130000.000000
! from proton shift 7.705000
! to proton shift 3.856000
! from heavyatom shift 120.195000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 71
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 29 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN72
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 223000.000000
! from proton shift 7.487000
! to proton shift 0.737000
! from heavyatom shift 123.845000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 72
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn ile and name hn) (resid 28 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN73
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 141000.000000
! from proton shift 7.702000
! to proton shift 0.819000
! from heavyatom shift 120.169000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 73
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 29 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN74
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 234000.000000
! from proton shift 8.855000
! to proton shift 4.411000
! from heavyatom shift 118.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 74
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 30 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN743
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 146000.000000
! from proton shift 8.564000
! to proton shift 4.205000
! from heavyatom shift 116.887000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 743
! note degeneracy 78, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn thr and name hn) (resid 68 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 71 and resn thr and name hn) (resid 70 and resn leu and name ha) 
    or (resid 71 and resn thr and name hn) (resid 72 and resn gln and name ha) 
    or (resid 70 and resn leu and name hn) (resid 68 and resn gln and name ha) 
    or (resid 70 and resn leu and name hn) (resid 70 and resn leu and name ha) 
 
! 
! peak name 3dN744
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 149000.000000
! from proton shift 8.760000
! to proton shift 4.237000
! from heavyatom shift 121.337000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 744
! note degeneracy 57, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hn) (resid 53 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN745
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 438000.000000
! from proton shift 8.394000
! to proton shift 4.207000
! from heavyatom shift 121.537000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 745
! note degeneracy 78, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name hn) (resid 70 and resn leu and name ha) 3.400000 1.600000 1.600000 
    or (resid 73 and resn leu and name hn) (resid 72 and resn gln and name ha) 
    or (resid 73 and resn leu and name hn) (resid 73 and resn leu and name ha) 
    or (resid 73 and resn leu and name hn) (resid 74 and resn lys and name ha) 
 
! 
! peak name 3dN747
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 166000.000000
! from proton shift 7.366000
! to proton shift 0.981000
! from heavyatom shift 117.884000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 747
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn leu and name hn) (resid 34 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 34 and resn leu and name hn) (resid 34 and resn leu and name hg) 
 
! 
! peak name 3dN749
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 246000.000000
! from proton shift 8.855000
! to proton shift 2.081000
! from heavyatom shift 118.843000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 749
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 29 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 30 and resn asp and name hn) (resid 31 and resn GLN and name hb*) 
 
! 
! peak name 3dN750
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 72700.000000
! from proton shift 8.860000
! to proton shift 2.417000
! from heavyatom shift 118.911000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 750
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 26 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN751
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 168000.000000
! from proton shift 7.798000
! to proton shift 2.080000
! from heavyatom shift 123.381000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 751
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 38 and resn ala and name hn) (resid 37 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 38 and resn ala and name hn) (resid 43 and resn GLN and name hg*) 
 
! 
! peak name 3dN753
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 422000.000000
! from proton shift 7.783000
! to proton shift 1.486000
! from heavyatom shift 115.112000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 753
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name hn) (resid 80 and resn ala and name hb#) 3.650000 1.850000 1.850000 
    or (resid 81 and resn leu and name hn) (resid 81 and resn LEU and name hb*) 
 
! 
! peak name 3dN757
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 238000.000000
! from proton shift 7.785000
! to proton shift 8.368000
! from heavyatom shift 115.102000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 757
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 81 and resn leu and name hn) (resid 80 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN76
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65900.000000
! from proton shift 8.854000
! to proton shift 3.849000
! from heavyatom shift 118.911000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 76
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 29 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN762
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 234000.000000
! from proton shift 7.695000
! to proton shift 7.819000
! from heavyatom shift 108.054000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 762
! note degeneracy 11, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 82 and resn gly and name hn) (resid 83 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN763
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42500.000000
! from proton shift 7.696000
! to proton shift 8.360000
! from heavyatom shift 108.054000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 763
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 82 and resn gly and name hn) (resid 80 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN77
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 48900.000000
! from proton shift 7.705000
! to proton shift 3.475000
! from heavyatom shift 120.138000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 77
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn leu and name hn) (resid 28 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN78
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 241000.000000
! from proton shift 7.949000
! to proton shift 4.041000
! from heavyatom shift 121.539000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 78
! note degeneracy 20, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn gln and name hn) (resid 27 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
    or (resid 31 and resn gln and name hn) (resid 31 and resn gln and name ha) 
 
! 
! peak name 3dN79
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 291000.000000
! from proton shift 7.949000
! to proton shift 2.796000
! from heavyatom shift 121.584000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 79
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn gln and name hn) (resid 30 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN8
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 603000.000000
! from proton shift 8.117000
! to proton shift 2.769000
! from heavyatom shift 118.320000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 8
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn asn and name hn) (resid 51 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN80
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 533000.000000
! from proton shift 8.856000
! to proton shift 2.794000
! from heavyatom shift 118.890000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 80
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 30 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN82
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 76900.000000
! from proton shift 8.859000
! to proton shift 0.692000
! from heavyatom shift 118.836000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 82
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn asp and name hn) (resid 29 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN84
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 127000.000000
! from proton shift 7.950000
! to proton shift 1.014000
! from heavyatom shift 121.582000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 84
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn gln and name hn) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 31 and resn gln and name hn) (resid 7 and resn VAL and name hg*) 
 
! 
! peak name 3dN85
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 305000.000000
! from proton shift 8.898000
! to proton shift 2.379000
! from heavyatom shift 122.853000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 85
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hn) (resid 32 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN86
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 257000.000000
! from proton shift 8.897000
! to proton shift 1.426000
! from heavyatom shift 122.840000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 86
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hn) (resid 29 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 32 and resn leu and name hn) (resid 32 and resn LEU and name hb*) 
 
! 
! peak name 3dN87
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 260000.000000
! from proton shift 8.898000
! to proton shift 1.016000
! from heavyatom shift 122.852000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 87
! note degeneracy 14, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hn) (resid 32 and resn leu and name hg) 3.650000 1.850000 1.850000 
    or (resid 32 and resn leu and name hn) (resid 50 and resn LEU and name hd*) 
    or (resid 32 and resn leu and name hn) (resid 7 and resn VAL and name hg*) 
 
! 
! peak name 3dN88
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 165000.000000
! from proton shift 8.895000
! to proton shift 4.140000
! from heavyatom shift 122.839000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 88
! note degeneracy 21, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 32 and resn leu and name hn) (resid 32 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN89
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 90600.000000
! from proton shift 7.949000
! to proton shift 4.407000
! from heavyatom shift 121.553000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 89
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn gln and name hn) (resid 30 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN9
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 321000.000000
! from proton shift 8.170000
! to proton shift 7.363000
! from heavyatom shift 120.261000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 9
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 34 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN90
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 74600.000000
! from proton shift 7.953000
! to proton shift 1.433000
! from heavyatom shift 121.551000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 90
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn gln and name hn) (resid 29 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 31 and resn gln and name hn) (resid 32 and resn LEU and name hb*) 
 
! 
! peak name 3dN91
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 206000.000000
! from proton shift 7.936000
! to proton shift 4.653000
! from heavyatom shift 118.963000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 91
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 33 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN92
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 835000.000000
! from proton shift 7.935000
! to proton shift 2.862000
! from heavyatom shift 118.984000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 92
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 33 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN93
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 201000.000000
! from proton shift 7.937000
! to proton shift 2.370000
! from heavyatom shift 118.992000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 93
! note degeneracy 16, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 32 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN94
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 91600.000000
! from proton shift 7.936000
! to proton shift 1.740000
! from heavyatom shift 118.996000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 94
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 32 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 33 and resn asp and name hn) (resid 34 and resn LEU and name hd*) 
 
! 
! peak name 3dN95
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 158000.000000
! from proton shift 7.936000
! to proton shift 1.014000
! from heavyatom shift 119.042000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 95
! note degeneracy 15, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 32 and resn leu and name hg) 3.650000 1.850000 1.850000 
    or (resid 33 and resn asp and name hn) (resid 7 and resn VAL and name hg*) 
 
! 
! peak name 3dN96
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 220000.000000
! from proton shift 7.936000
! to proton shift 1.200000
! from heavyatom shift 119.009000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 96
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn asp and name hn) (resid 7 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN97
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 562000.000000
! from proton shift 8.171000
! to proton shift 2.459000
! from heavyatom shift 120.270000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 97
! note degeneracy 30, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 35 and resn val and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN99
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 210000.000000
! from proton shift 8.169000
! to proton shift 2.023000
! from heavyatom shift 120.295000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDVvDUF5_15N_PEAKS.xeasy, peak 99
! note degeneracy 54, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn val and name hn) (resid 34 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 

!    4 ILE -108.012  135.121   14.319   12.246    0.454 0.731 25 16 Good
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -108.0   28.6 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  135.1   24.5 2

!    5 PHE  -83.474  141.850   12.301   12.640    0.261 0.792 25 18 Good
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -83.5   24.6 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  141.8   25.3 2

!    6 THR  -80.517  166.027    6.289    4.990    0.147 0.842 25 18 Good
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -80.5   20.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  166.0   20.0 2

!    7 VAL  -56.649  -42.334    3.384    4.305    0.098 0.886 25 18 Good
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -56.6   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -42.3   20.0 2

!    8 GLN  -65.053  -41.596    2.673    4.427    0.053 0.908 25 18 Good
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -65.1   20.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -41.6   20.0 2

!    9 GLU  -66.188  -42.763    2.658    4.025    0.037 0.915 25 18 Good
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -66.2   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -42.8   20.0 2

!   10 LEU  -65.718  -41.297    2.885    4.757    0.036 0.912 25 18 Good
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -65.7   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -41.3   20.0 2

!   11 LYS  -62.550  -42.594    3.921    5.100    0.043 0.908 25 18 Good
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -62.5   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -42.6   20.0 2

!   12 GLU  -65.976  -40.786    3.657    4.512    0.053 0.889 25 18 Good
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -66.0   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -40.8   20.0 2

!   13 ARG  -68.870  -35.468    4.944    6.238    0.091 0.838 25 18 Good
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -68.9   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -35.5   20.0 2

!   14 ALA  -65.579  -30.657    4.894    6.637    0.178 0.725 25 18 Good
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -65.6   20.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -30.7   20.0 2

!   15 LYS  -71.496  -25.245    6.725    9.212    0.271 0.694 25 18 Good
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -71.5   20.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -25.2   20.0 2

!   17 PHE -109.722  144.109   20.175   12.958    0.522 0.771 25 16 Good
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0 -109.7   40.4 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  144.1   25.9 2

!   19 LYS -103.945  143.474   28.778   13.482    0.640 0.708 25 16 Good
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0 -103.9   57.6 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  143.5   27.0 2

!   20 PRO  -64.591  148.173    6.326    8.787    0.550 0.696 25 16 Good
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -64.6   20.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  148.2   20.0 2

!   21 ILE  -70.685  135.119    9.304    6.483    0.508 0.713 25 15 Good
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -70.7   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  135.1   20.0 2

!   24 SER  -61.788  -36.191    6.992    8.105    0.379 0.874 25 18 Good
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -61.8   20.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  -36.2   20.0 2

!   25 TYR  -64.817  -39.747    4.069    5.787    0.273 0.875 25 18 Good
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -64.8   20.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  -39.7   20.0 2

!   26 GLN  -65.371  -37.069    4.624    5.705    0.168 0.887 25 17 Good
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -65.4   20.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  -37.1   20.0 2

!   27 GLY  -64.762  -39.979    4.397    4.364    0.117 0.890 25 17 Good
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -64.8   20.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  -40.0   20.0 2

!   28 ILE  -65.311  -44.294    2.934    2.643    0.099 0.909 25 17 Good
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -65.3   20.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  -44.3   20.0 2

!   29 LEU  -64.992  -38.903    3.786    4.225    0.088 0.910 25 18 Good
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -65.0   20.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  -38.9   20.0 2

!   30 ASP  -66.291  -39.361    3.502    4.316    0.087 0.893 25 18 Good
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -66.3   20.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -39.4   20.0 2

!   31 GLN  -68.221  -38.992    3.438    4.197    0.098 0.871 25 18 Good
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -68.2   20.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  -39.0   20.0 2

!   32 LEU  -63.317  -42.282    3.496    3.898    0.087 0.868 25 18 Good
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -63.3   20.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  -42.3   20.0 2

!   33 ASN  -65.070  -42.735    3.657    5.218    0.087 0.888 25 18 Good
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0  -65.1   20.0 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  -42.7   20.0 2

!   34 LEU  -65.176  -40.382    3.622    4.719    0.104 0.913 25 18 Good
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0  -65.2   20.0 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  -40.4   20.0 2

!   35 VAL  -64.451  -43.176    3.078    4.166    0.108 0.918 25 18 Good
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -64.5   20.0 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  -43.2   20.0 2

!   36 HIS  -68.965  -32.063    7.259    7.188    0.156 0.905 25 18 Good
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0  -69.0   20.0 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0  -32.1   20.0 2

!   37 GLN  -90.293  -12.945    6.860    9.824    0.234 0.871 25 18 Good
assign (resid   36 and name C    ) (resid   37 and name N    )
       (resid   37 and name CA   ) (resid   37 and name C    )    1.0  -90.3   20.0 2
assign (resid   37 and name N    ) (resid   37 and name CA   )
       (resid   37 and name C    ) (resid   38 and name N    )    1.0  -12.9   20.0 2

!   38 ALA  -72.145  139.714    8.855   13.588    0.267 0.854 25 18 Good
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0  -72.1   20.0 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0  139.7   27.2 2

!   39 LYS -108.135  164.527   30.188   12.174    0.271 0.851 25 17 Good
assign (resid   38 and name C    ) (resid   39 and name N    )
       (resid   39 and name CA   ) (resid   39 and name C    )    1.0 -108.1   60.4 2
assign (resid   39 and name N    ) (resid   39 and name CA   )
       (resid   39 and name C    ) (resid   40 and name N    )    1.0  164.5   24.3 2

!   41 ARG  -65.838  -39.976    3.656    5.313    0.144 0.880 25 15 Good
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0  -65.8   20.0 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  -40.0   20.0 2

!   42 ASP  -67.952  -38.183    4.474    4.906    0.099 0.893 25 16 Good
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0  -68.0   20.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  -38.2   20.0 2

!   43 GLN  -66.077  -40.518    3.447    3.613    0.081 0.905 25 18 Good
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -66.1   20.0 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  -40.5   20.0 2

!   44 ILE  -65.042  -44.085    3.384    4.034    0.069 0.908 25 18 Good
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0  -65.0   20.0 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  -44.1   20.0 2

!   45 ALA  -63.383  -41.713    3.178    5.162    0.074 0.906 25 18 Good
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0  -63.4   20.0 2
assign (resid   45 and name N    ) (resid   45 and name CA   )
       (resid   45 and name C    ) (resid   46 and name N    )    1.0  -41.7   20.0 2

!   46 ALA  -66.281  -39.422    3.124    4.983    0.077 0.902 25 18 Good
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0  -66.3   20.0 2
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  -39.4   20.0 2

!   47 SER  -65.813  -43.572    3.075    2.920    0.083 0.901 25 18 Good
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0  -65.8   20.0 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0  -43.6   20.0 2

!   48 PHE  -65.597  -39.471    4.852    5.114    0.098 0.895 25 18 Good
assign (resid   47 and name C    ) (resid   48 and name N    )
       (resid   48 and name CA   ) (resid   48 and name C    )    1.0  -65.6   20.0 2
assign (resid   48 and name N    ) (resid   48 and name CA   )
       (resid   48 and name C    ) (resid   49 and name N    )    1.0  -39.5   20.0 2

!   49 GLU  -66.146  -41.441    3.746    3.960    0.084 0.887 25 18 Good
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0  -66.1   20.0 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  -41.4   20.0 2

!   50 LEU  -65.052  -42.487    3.801    4.019    0.081 0.877 25 18 Good
assign (resid   49 and name C    ) (resid   50 and name N    )
       (resid   50 and name CA   ) (resid   50 and name C    )    1.0  -65.1   20.0 2
assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )    1.0  -42.5   20.0 2

!   51 ASN  -63.480  -40.454    4.653    5.514    0.082 0.879 25 18 Good
assign (resid   50 and name C    ) (resid   51 and name N    )
       (resid   51 and name CA   ) (resid   51 and name C    )    1.0  -63.5   20.0 2
assign (resid   51 and name N    ) (resid   51 and name CA   )
       (resid   51 and name C    ) (resid   52 and name N    )    1.0  -40.5   20.0 2

!   52 LYS  -65.009  -41.517    3.844    4.210    0.077 0.885 25 18 Good
assign (resid   51 and name C    ) (resid   52 and name N    )
       (resid   52 and name CA   ) (resid   52 and name C    )    1.0  -65.0   20.0 2
assign (resid   52 and name N    ) (resid   52 and name CA   )
       (resid   52 and name C    ) (resid   53 and name N    )    1.0  -41.5   20.0 2

!   53 LYS  -65.376  -40.313    3.059    3.786    0.087 0.900 25 18 Good
assign (resid   52 and name C    ) (resid   53 and name N    )
       (resid   53 and name CA   ) (resid   53 and name C    )    1.0  -65.4   20.0 2
assign (resid   53 and name N    ) (resid   53 and name CA   )
       (resid   53 and name C    ) (resid   54 and name N    )    1.0  -40.3   20.0 2

!   54 ILE  -64.907  -43.876    4.596    3.843    0.089 0.908 25 18 Good
assign (resid   53 and name C    ) (resid   54 and name N    )
       (resid   54 and name CA   ) (resid   54 and name C    )    1.0  -64.9   20.0 2
assign (resid   54 and name N    ) (resid   54 and name CA   )
       (resid   54 and name C    ) (resid   55 and name N    )    1.0  -43.9   20.0 2

!   55 ASN  -63.916  -40.656    2.469    2.860    0.083 0.917 25 18 Good
assign (resid   54 and name C    ) (resid   55 and name N    )
       (resid   55 and name CA   ) (resid   55 and name C    )    1.0  -63.9   20.0 2
assign (resid   55 and name N    ) (resid   55 and name CA   )
       (resid   55 and name C    ) (resid   56 and name N    )    1.0  -40.7   20.0 2

!   56 ASP  -66.562  -37.864    3.855    5.025    0.081 0.916 25 18 Good
assign (resid   55 and name C    ) (resid   56 and name N    )
       (resid   56 and name CA   ) (resid   56 and name C    )    1.0  -66.6   20.0 2
assign (resid   56 and name N    ) (resid   56 and name CA   )
       (resid   56 and name C    ) (resid   57 and name N    )    1.0  -37.9   20.0 2

!   57 TYR  -64.325  -44.134    3.373    2.877    0.080 0.913 25 18 Good
assign (resid   56 and name C    ) (resid   57 and name N    )
       (resid   57 and name CA   ) (resid   57 and name C    )    1.0  -64.3   20.0 2
assign (resid   57 and name N    ) (resid   57 and name CA   )
       (resid   57 and name C    ) (resid   58 and name N    )    1.0  -44.1   20.0 2

!   58 ILE  -63.371  -39.124    5.035    6.725    0.079 0.897 25 18 Good
assign (resid   57 and name C    ) (resid   58 and name N    )
       (resid   58 and name CA   ) (resid   58 and name C    )    1.0  -63.4   20.0 2
assign (resid   58 and name N    ) (resid   58 and name CA   )
       (resid   58 and name C    ) (resid   59 and name N    )    1.0  -39.1   20.0 2

!   59 ALA  -68.157  -32.508    5.683    4.798    0.084 0.865 25 18 Good
assign (resid   58 and name C    ) (resid   59 and name N    )
       (resid   59 and name CA   ) (resid   59 and name C    )    1.0  -68.2   20.0 2
assign (resid   59 and name N    ) (resid   59 and name CA   )
       (resid   59 and name C    ) (resid   60 and name N    )    1.0  -32.5   20.0 2

!   60 GLU  -85.594  -21.325    7.658    8.913    0.105 0.809 25 18 Good
assign (resid   59 and name C    ) (resid   60 and name N    )
       (resid   60 and name CA   ) (resid   60 and name C    )    1.0  -85.6   20.0 2
assign (resid   60 and name N    ) (resid   60 and name CA   )
       (resid   60 and name C    ) (resid   61 and name N    )    1.0  -21.3   20.0 2

!   61 HIS -134.620   69.546    4.908    7.184    0.154 0.764 25 15 Good
assign (resid   60 and name C    ) (resid   61 and name N    )
       (resid   61 and name CA   ) (resid   61 and name C    )    1.0 -134.6   20.0 2
assign (resid   61 and name N    ) (resid   61 and name CA   )
       (resid   61 and name C    ) (resid   62 and name N    )    1.0   69.5   20.0 2

!   62 PRO  -63.560  -24.172    4.513    5.465    0.264 0.738 25 13 Good
assign (resid   61 and name C    ) (resid   62 and name N    )
       (resid   62 and name CA   ) (resid   62 and name C    )    1.0  -63.6   20.0 2
assign (resid   62 and name N    ) (resid   62 and name CA   )
       (resid   62 and name C    ) (resid   63 and name N    )    1.0  -24.2   20.0 2

!   63 THR  -93.280    2.702   11.664   13.455    0.556 0.719 25 13 Good
assign (resid   62 and name C    ) (resid   63 and name N    )
       (resid   63 and name CA   ) (resid   63 and name C    )    1.0  -93.3   23.3 2
assign (resid   63 and name N    ) (resid   63 and name CA   )
       (resid   63 and name C    ) (resid   64 and name N    )    1.0    2.7   26.9 2

!   66 ARG  -62.929  -34.154    7.005   11.603    0.287 0.814 25 11 Good
assign (resid   65 and name C    ) (resid   66 and name N    )
       (resid   66 and name CA   ) (resid   66 and name C    )    1.0  -62.9   20.0 2
assign (resid   66 and name N    ) (resid   66 and name CA   )
       (resid   66 and name C    ) (resid   67 and name N    )    1.0  -34.2   23.2 2

!   67 ASN  -63.887  -38.041    6.298    7.074    0.178 0.839 25 14 Good
assign (resid   66 and name C    ) (resid   67 and name N    )
       (resid   67 and name CA   ) (resid   67 and name C    )    1.0  -63.9   20.0 2
assign (resid   67 and name N    ) (resid   67 and name CA   )
       (resid   67 and name C    ) (resid   68 and name N    )    1.0  -38.0   20.0 2

!   68 GLN  -65.488  -39.061    3.312    4.984    0.124 0.879 25 16 Good
assign (resid   67 and name C    ) (resid   68 and name N    )
       (resid   68 and name CA   ) (resid   68 and name C    )    1.0  -65.5   20.0 2
assign (resid   68 and name N    ) (resid   68 and name CA   )
       (resid   68 and name C    ) (resid   69 and name N    )    1.0  -39.1   20.0 2

!   69 ALA  -64.352  -40.537    2.730    3.917    0.091 0.887 25 16 Good
assign (resid   68 and name C    ) (resid   69 and name N    )
       (resid   69 and name CA   ) (resid   69 and name C    )    1.0  -64.4   20.0 2
assign (resid   69 and name N    ) (resid   69 and name CA   )
       (resid   69 and name C    ) (resid   70 and name N    )    1.0  -40.5   20.0 2

!   70 LEU  -66.014  -40.301    3.150    4.819    0.083 0.885 25 18 Good
assign (resid   69 and name C    ) (resid   70 and name N    )
       (resid   70 and name CA   ) (resid   70 and name C    )    1.0  -66.0   20.0 2
assign (resid   70 and name N    ) (resid   70 and name CA   )
       (resid   70 and name C    ) (resid   71 and name N    )    1.0  -40.3   20.0 2

!   71 THR  -65.169  -41.332    2.586    3.050    0.088 0.883 25 18 Good
assign (resid   70 and name C    ) (resid   71 and name N    )
       (resid   71 and name CA   ) (resid   71 and name C    )    1.0  -65.2   20.0 2
assign (resid   71 and name N    ) (resid   71 and name CA   )
       (resid   71 and name C    ) (resid   72 and name N    )    1.0  -41.3   20.0 2

!   72 GLN  -66.729  -42.813    3.704    4.362    0.084 0.872 25 18 Good
assign (resid   71 and name C    ) (resid   72 and name N    )
       (resid   72 and name CA   ) (resid   72 and name C    )    1.0  -66.7   20.0 2
assign (resid   72 and name N    ) (resid   72 and name CA   )
       (resid   72 and name C    ) (resid   73 and name N    )    1.0  -42.8   20.0 2

!   73 LEU  -64.558  -43.855    4.416    3.986    0.073 0.866 25 18 Good
assign (resid   72 and name C    ) (resid   73 and name N    )
       (resid   73 and name CA   ) (resid   73 and name C    )    1.0  -64.6   20.0 2
assign (resid   73 and name N    ) (resid   73 and name CA   )
       (resid   73 and name C    ) (resid   74 and name N    )    1.0  -43.9   20.0 2

!   74 LYS  -62.725  -41.762    4.408    5.194    0.066 0.877 25 18 Good
assign (resid   73 and name C    ) (resid   74 and name N    )
       (resid   74 and name CA   ) (resid   74 and name C    )    1.0  -62.7   20.0 2
assign (resid   74 and name N    ) (resid   74 and name CA   )
       (resid   74 and name C    ) (resid   75 and name N    )    1.0  -41.8   20.0 2

!   75 GLU  -65.927  -40.309    3.542    4.627    0.056 0.895 25 18 Good
assign (resid   74 and name C    ) (resid   75 and name N    )
       (resid   75 and name CA   ) (resid   75 and name C    )    1.0  -65.9   20.0 2
assign (resid   75 and name N    ) (resid   75 and name CA   )
       (resid   75 and name C    ) (resid   76 and name N    )    1.0  -40.3   20.0 2

!   76 GLN  -65.636  -41.150    3.138    4.110    0.056 0.911 25 18 Good
assign (resid   75 and name C    ) (resid   76 and name N    )
       (resid   76 and name CA   ) (resid   76 and name C    )    1.0  -65.6   20.0 2
assign (resid   76 and name N    ) (resid   76 and name CA   )
       (resid   76 and name C    ) (resid   77 and name N    )    1.0  -41.1   20.0 2

!   77 VAL  -65.079  -43.745    2.728    2.884    0.050 0.913 25 18 Good
assign (resid   76 and name C    ) (resid   77 and name N    )
       (resid   77 and name CA   ) (resid   77 and name C    )    1.0  -65.1   20.0 2
assign (resid   77 and name N    ) (resid   77 and name CA   )
       (resid   77 and name C    ) (resid   78 and name N    )    1.0  -43.7   20.0 2

!   78 THR  -61.544  -41.861    3.270    3.792    0.056 0.908 25 18 Good
assign (resid   77 and name C    ) (resid   78 and name N    )
       (resid   78 and name CA   ) (resid   78 and name C    )    1.0  -61.5   20.0 2
assign (resid   78 and name N    ) (resid   78 and name CA   )
       (resid   78 and name C    ) (resid   79 and name N    )    1.0  -41.9   20.0 2

!   79 SER  -65.581  -42.624    4.725    5.662    0.051 0.876 25 18 Good
assign (resid   78 and name C    ) (resid   79 and name N    )
       (resid   79 and name CA   ) (resid   79 and name C    )    1.0  -65.6   20.0 2
assign (resid   79 and name N    ) (resid   79 and name CA   )
       (resid   79 and name C    ) (resid   80 and name N    )    1.0  -42.6   20.0 2

!   80 ALA -66.711  -30.433    4.750    5.409    0.074 0.834 25 18 Good
assign (resid   79 and name C    ) (resid   80 and name N    )
       (resid   80 and name CA   ) (resid   80 and name C    )    1.0  -66.7   20.0 2
assign (resid   80 and name N    ) (resid   80 and name CA   )
       (resid   80 and name C    ) (resid   81 and name N    )    1.0  -30.4   20.0 2

!   81 LEU  -87.285   -7.005    9.782    8.225    0.100 0.777 25 17 Good
assign (resid   80 and name C    ) (resid   81 and name N    )
       (resid   81 and name CA   ) (resid   81 and name C    )    1.0  -87.3   20.0 2
assign (resid   81 and name N    ) (resid   81 and name CA   )
       (resid   81 and name C    ) (resid   82 and name N    )    1.0   -7.0   20.0 2

!   82 GLY   69.579   33.648    6.734    9.529    0.130 0.732 25 17 Good
assign (resid   81 and name C    ) (resid   82 and name N    )
       (resid   82 and name CA   ) (resid   82 and name C    )    1.0   69.6   20.0 2
assign (resid   82 and name N    ) (resid   82 and name CA   )
       (resid   82 and name C    ) (resid   83 and name N    )    1.0   33.6   20.0 2

!   83 LEU  -69.551  -22.674    8.516   10.333    0.301 0.690 25 17 Good
assign (resid   82 and name C    ) (resid   83 and name N    )
       (resid   83 and name CA   ) (resid   83 and name C    )    1.0  -69.6   20.0 2
assign (resid   83 and name N    ) (resid   83 and name CA   )
       (resid   83 and name C    ) (resid   84 and name N    )    1.0  -22.7   20.7 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  -8.814   4.803  12.610
    2    H2   MET   1           HT2      MET   1  -8.207   3.918  13.928
    3    H3   MET   1           HT3      MET   1  -8.673   3.116  12.505
    4    HA   MET   1           HA       MET   1  -6.395   3.156  12.288
    5    HB2  MET   1           HB2      MET   1  -7.557   4.167  10.324
    6    HB3  MET   1           HB1      MET   1  -7.317   5.762  11.039
    7    HG2  MET   1           HG2      MET   1  -4.892   5.470  10.968
    8    HG3  MET   1           HG1      MET   1  -5.084   3.827  10.356
    9    HE1  MET   1           HE1      MET   1  -5.656   7.451  10.006
   10    HE2  MET   1           HE2      MET   1  -7.187   7.176   9.179
   11    HE3  MET   1           HE3      MET   1  -5.811   7.812   8.282
   12    H    GLY   2           HN       GLY   2  -7.690   6.045  13.795
   13    HA2  GLY   2           HA2      GLY   2  -5.264   7.380  14.349
   14    HA3  GLY   2           HA1      GLY   2  -6.770   7.580  15.242
   15    H    GLN   3           HN       GLN   3  -7.071   4.898  16.128
   16    HA   GLN   3           HA       GLN   3  -4.672   4.132  17.563
   17    HB2  GLN   3           HB2      GLN   3  -5.565   6.012  18.932
   18    HB3  GLN   3           HB1      GLN   3  -7.073   5.116  19.122
   19    HG2  GLN   3           HG2      GLN   3  -5.898   3.286  20.221
   20    HG3  GLN   3           HG1      GLN   3  -4.347   4.076  19.941
   21   HE21  GLN   3          HE21      GLN   3  -5.153   3.457  22.590
   22   HE22  GLN   3          HE22      GLN   3  -5.486   4.903  23.414
   23    H    ILE   4           HN       ILE   4  -8.212   3.820  17.966
   24    HA   ILE   4           HA       ILE   4  -7.929   0.925  18.231
   25    HB   ILE   4           HB       ILE   4 -10.332   2.668  18.499
   26   HG12  ILE   4          HG12      ILE   4  -8.366   2.884  20.209
   27   HG13  ILE   4          HG11      ILE   4 -10.005   2.702  20.823
   28   HG21  ILE   4          HG21      ILE   4 -11.168   0.553  19.730
   29   HG22  ILE   4          HG22      ILE   4  -9.859  -0.278  18.886
   30   HG23  ILE   4          HG23      ILE   4 -11.134   0.526  17.968
   31   HD11  ILE   4          HD11      ILE   4  -8.121   1.219  21.848
   32   HD12  ILE   4          HD12      ILE   4  -8.280   0.266  20.375
   33   HD13  ILE   4          HD13      ILE   4  -9.662   0.461  21.449
   34    H    PHE   5           HN       PHE   5  -8.572  -0.540  16.743
   35    HA   PHE   5           HA       PHE   5  -8.957   0.271  14.075
   36    HB2  PHE   5           HB2      PHE   5  -8.535  -2.177  15.456
   37    HB3  PHE   5           HB1      PHE   5 -10.042  -2.411  14.591
   38    HD1  PHE   5           HD1      PHE   5  -6.830  -0.570  13.765
   39    HD2  PHE   5           HD2      PHE   5  -9.716  -3.524  12.570
   40    HE1  PHE   5           HE1      PHE   5  -5.613  -0.902  11.637
   41    HE2  PHE   5           HE2      PHE   5  -8.490  -3.848  10.439
   42    HZ   PHE   5           HZ       PHE   5  -6.443  -2.539   9.975
   43    H    THR   6           HN       THR   6 -10.661   0.835  12.935
   44    HA   THR   6           HA       THR   6 -13.226   1.132  14.240
   45    HB   THR   6           HB       THR   6 -12.603   1.630  11.330
   46    HG1  THR   6           HG1      THR   6 -11.910   3.643  11.943
   47   HG21  THR   6          HG21      THR   6 -14.497   3.053  13.209
   48   HG22  THR   6          HG22      THR   6 -14.984   1.676  12.221
   49   HG23  THR   6          HG23      THR   6 -14.436   3.165  11.451
   50    H    VAL   7           HN       VAL   7 -15.123   0.080  13.697
   51    HA   VAL   7           HA       VAL   7 -14.920  -2.616  12.922
   52    HB   VAL   7           HB       VAL   7 -17.283  -0.741  13.124
   53   HG11  VAL   7          HG11      VAL   7 -17.135  -3.672  12.421
   54   HG12  VAL   7          HG12      VAL   7 -18.066  -2.397  11.637
   55   HG13  VAL   7          HG13      VAL   7 -18.561  -3.002  13.217
   56   HG21  VAL   7          HG21      VAL   7 -16.246  -1.188  15.257
   57   HG22  VAL   7          HG22      VAL   7 -16.116  -2.910  14.898
   58   HG23  VAL   7          HG23      VAL   7 -17.699  -2.183  15.170
   59    H    GLN   8           HN       GLN   8 -16.083   0.237  11.140
   60    HA   GLN   8           HA       GLN   8 -16.797  -1.107   8.775
   61    HB2  GLN   8           HB2      GLN   8 -17.392   1.265   9.398
   62    HB3  GLN   8           HB1      GLN   8 -15.748   1.722   8.953
   63    HG2  GLN   8           HG2      GLN   8 -17.135   2.103   7.022
   64    HG3  GLN   8           HG1      GLN   8 -16.166   0.668   6.692
   65   HE21  GLN   8          HE21      GLN   8 -17.404  -0.942   5.739
   66   HE22  GLN   8          HE22      GLN   8 -19.036  -1.253   6.088
   67    H    GLU   9           HN       GLU   9 -13.726   0.330   9.808
   68    HA   GLU   9           HA       GLU   9 -12.364  -0.034   7.347
   69    HB2  GLU   9           HB2      GLU   9 -11.626   1.486   9.198
   70    HB3  GLU   9           HB1      GLU   9 -11.164   0.058  10.123
   71    HG2  GLU   9           HG2      GLU   9  -9.181   0.854   9.018
   72    HG3  GLU   9           HG1      GLU   9  -9.685  -0.608   8.174
   73    H    LEU  10           HN       LEU  10 -12.807  -2.080  10.187
   74    HA   LEU  10           HA       LEU  10 -10.926  -4.065   9.487
   75    HB2  LEU  10           HB2      LEU  10 -11.856  -3.902  11.748
   76    HB3  LEU  10           HB1      LEU  10 -13.457  -4.295  11.133
   77    HG   LEU  10           HG       LEU  10 -12.691  -6.515  10.440
   78   HD11  LEU  10          HD11      LEU  10 -10.444  -6.298   9.789
   79   HD12  LEU  10          HD12      LEU  10 -10.303  -7.155  11.322
   80   HD13  LEU  10          HD13      LEU  10 -10.002  -5.420  11.254
   81   HD21  LEU  10          HD21      LEU  10 -13.330  -5.923  12.904
   82   HD22  LEU  10          HD22      LEU  10 -11.612  -6.138  13.236
   83   HD23  LEU  10          HD23      LEU  10 -12.561  -7.478  12.589
   84    H    LYS  11           HN       LYS  11 -14.342  -3.630   8.702
   85    HA   LYS  11           HA       LYS  11 -14.838  -6.123   7.525
   86    HB2  LYS  11           HB2      LYS  11 -16.003  -3.394   6.951
   87    HB3  LYS  11           HB1      LYS  11 -16.596  -4.875   6.201
   88    HG2  LYS  11           HG2      LYS  11 -17.032  -5.830   8.439
   89    HG3  LYS  11           HG1      LYS  11 -16.457  -4.336   9.179
   90    HD2  LYS  11           HD2      LYS  11 -18.242  -3.068   8.100
   91    HD3  LYS  11           HD1      LYS  11 -18.792  -4.515   7.255
   92    HE2  LYS  11           HE2      LYS  11 -19.292  -5.597   9.410
   93    HE3  LYS  11           HE1      LYS  11 -18.729  -4.162  10.266
   94    HZ1  LYS  11           HZ1      LYS  11 -20.980  -3.803  10.156
   95    HZ2  LYS  11           HZ2      LYS  11 -21.141  -4.519   8.624
   96    HZ3  LYS  11           HZ3      LYS  11 -20.454  -2.973   8.773
   97    H    GLU  12           HN       GLU  12 -13.361  -3.197   6.202
   98    HA   GLU  12           HA       GLU  12 -13.352  -3.925   3.490
   99    HB2  GLU  12           HB2      GLU  12 -12.758  -1.669   4.448
  100    HB3  GLU  12           HB1      GLU  12 -11.200  -2.349   4.913
  101    HG2  GLU  12           HG2      GLU  12 -10.876  -1.287   2.787
  102    HG3  GLU  12           HG1      GLU  12 -10.889  -3.023   2.484
  103    H    ARG  13           HN       ARG  13 -10.721  -4.288   5.896
  104    HA   ARG  13           HA       ARG  13  -9.111  -5.883   4.155
  105    HB2  ARG  13           HB2      ARG  13  -9.010  -5.397   7.135
  106    HB3  ARG  13           HB1      ARG  13  -7.826  -6.381   6.273
  107    HG2  ARG  13           HG2      ARG  13  -7.270  -4.474   4.826
  108    HG3  ARG  13           HG1      ARG  13  -8.474  -3.484   5.650
  109    HD2  ARG  13           HD2      ARG  13  -6.287  -2.988   6.587
  110    HD3  ARG  13           HD1      ARG  13  -7.239  -3.850   7.793
  111    HE   ARG  13           HE       ARG  13  -5.728  -5.705   6.270
  112   HH11  ARG  13          HH21      ARG  13  -5.426  -3.213   8.650
  113   HH12  ARG  13          HH22      ARG  13  -4.009  -3.890   9.380
  114   HH21  ARG  13          HH11      ARG  13  -3.868  -6.594   7.214
  115   HH22  ARG  13          HH12      ARG  13  -3.125  -5.805   8.566
  116    H    ALA  14           HN       ALA  14 -11.433  -6.585   6.709
  117    HA   ALA  14           HA       ALA  14 -10.922  -9.398   6.781
  118    HB1  ALA  14           HB1      ALA  14 -11.992  -8.015   8.623
  119    HB2  ALA  14           HB2      ALA  14 -12.800  -9.535   8.242
  120    HB3  ALA  14           HB3      ALA  14 -13.460  -8.013   7.647
  121    H    LYS  15           HN       LYS  15 -12.430  -7.425   4.516
  122    HA   LYS  15           HA       LYS  15 -14.629  -8.946   3.674
  123    HB2  LYS  15           HB2      LYS  15 -14.097  -6.653   2.866
  124    HB3  LYS  15           HB1      LYS  15 -12.755  -7.320   1.939
  125    HG2  LYS  15           HG2      LYS  15 -14.303  -8.725   0.667
  126    HG3  LYS  15           HG1      LYS  15 -15.657  -8.125   1.627
  127    HD2  LYS  15           HD2      LYS  15 -15.199  -5.830   0.833
  128    HD3  LYS  15           HD1      LYS  15 -13.859  -6.439  -0.140
  129    HE2  LYS  15           HE2      LYS  15 -15.406  -7.868  -1.399
  130    HE3  LYS  15           HE1      LYS  15 -16.750  -7.287  -0.418
  131    HZ1  LYS  15           HZ1      LYS  15 -15.523  -6.075  -2.673
  132    HZ2  LYS  15           HZ2      LYS  15 -15.470  -5.031  -1.333
  133    HZ3  LYS  15           HZ3      LYS  15 -16.958  -5.647  -1.875
  134    H    VAL  16           HN       VAL  16 -11.213  -9.097   2.696
  135    HA   VAL  16           HA       VAL  16 -10.061 -10.641   1.426
  136    HB   VAL  16           HB       VAL  16 -11.867 -12.466   3.032
  137   HG11  VAL  16          HG11      VAL  16 -10.921 -13.767   1.261
  138   HG12  VAL  16          HG12      VAL  16  -9.907 -14.065   2.673
  139   HG13  VAL  16          HG13      VAL  16  -9.359 -12.962   1.411
  140   HG21  VAL  16          HG21      VAL  16 -10.431 -10.839   4.313
  141   HG22  VAL  16          HG22      VAL  16  -9.018 -11.557   3.540
  142   HG23  VAL  16          HG23      VAL  16 -10.025 -12.529   4.612
  143    H    PHE  17           HN       PHE  17 -12.920 -12.681   1.573
  144    HA   PHE  17           HA       PHE  17 -13.464 -12.180  -1.297
  145    HB2  PHE  17           HB2      PHE  17 -12.071 -14.234  -1.045
  146    HB3  PHE  17           HB1      PHE  17 -13.320 -14.916  -0.002
  147    HD1  PHE  17           HD1      PHE  17 -12.747 -13.494  -3.406
  148    HD2  PHE  17           HD2      PHE  17 -15.211 -15.999  -0.935
  149    HE1  PHE  17           HE1      PHE  17 -14.003 -14.234  -5.411
  150    HE2  PHE  17           HE2      PHE  17 -16.467 -16.739  -2.943
  151    HZ   PHE  17           HZ       PHE  17 -15.863 -15.857  -5.180
  152    H    ALA  18           HN       ALA  18 -15.616 -12.254  -1.861
  153    HA   ALA  18           HA       ALA  18 -17.614 -11.668  -0.078
  154    HB1  ALA  18           HB1      ALA  18 -17.771 -11.617  -2.599
  155    HB2  ALA  18           HB2      ALA  18 -19.196 -12.273  -1.792
  156    HB3  ALA  18           HB3      ALA  18 -18.033 -13.360  -2.552
  157    H    LYS  19           HN       LYS  19 -18.189 -12.777   1.714
  158    HA   LYS  19           HA       LYS  19 -18.664 -15.681   1.469
  159    HB2  LYS  19           HB2      LYS  19 -17.076 -14.221   3.571
  160    HB3  LYS  19           HB1      LYS  19 -17.792 -15.801   3.898
  161    HG2  LYS  19           HG2      LYS  19 -16.137 -15.420   1.405
  162    HG3  LYS  19           HG1      LYS  19 -15.322 -15.631   2.953
  163    HD2  LYS  19           HD2      LYS  19 -17.516 -17.556   2.207
  164    HD3  LYS  19           HD1      LYS  19 -15.929 -17.743   1.461
  165    HE2  LYS  19           HE2      LYS  19 -14.866 -18.111   3.537
  166    HE3  LYS  19           HE1      LYS  19 -16.223 -17.449   4.449
  167    HZ1  LYS  19           HZ1      LYS  19 -17.401 -19.441   3.116
  168    HZ2  LYS  19           HZ2      LYS  19 -16.768 -19.593   4.685
  169    HZ3  LYS  19           HZ3      LYS  19 -15.854 -20.098   3.345
  170    HA   PRO  20           HA       PRO  20 -22.626 -14.930   3.347
  171    HB2  PRO  20           HB2      PRO  20 -22.045 -17.111   5.315
  172    HB3  PRO  20           HB1      PRO  20 -23.425 -16.924   4.215
  173    HG2  PRO  20           HG2      PRO  20 -21.473 -18.692   3.743
  174    HG3  PRO  20           HG1      PRO  20 -22.293 -17.827   2.430
  175    HD2  PRO  20           HD2      PRO  20 -19.541 -17.399   3.535
  176    HD3  PRO  20           HD1      PRO  20 -20.158 -17.168   1.885
  177    H    ILE  21           HN       ILE  21 -23.530 -13.810   5.070
  178    HA   ILE  21           HA       ILE  21 -21.682 -12.564   6.906
  179    HB   ILE  21           HB       ILE  21 -24.685 -12.319   6.611
  180   HG12  ILE  21          HG12      ILE  21 -22.493 -10.394   5.786
  181   HG13  ILE  21          HG11      ILE  21 -23.206 -11.574   4.679
  182   HG21  ILE  21          HG21      ILE  21 -24.264 -10.172   7.908
  183   HG22  ILE  21          HG22      ILE  21 -22.661 -10.805   8.279
  184   HG23  ILE  21          HG23      ILE  21 -24.097 -11.657   8.843
  185   HD11  ILE  21          HD11      ILE  21 -24.706  -9.401   6.176
  186   HD12  ILE  21          HD12      ILE  21 -25.448 -10.609   5.126
  187   HD13  ILE  21          HD13      ILE  21 -24.344  -9.411   4.449
  188    H    GLY  22           HN       GLY  22 -21.303 -13.122   8.963
  189    HA2  GLY  22           HA2      GLY  22 -22.360 -15.548  10.036
  190    HA3  GLY  22           HA1      GLY  22 -21.312 -14.410  10.873
  191    H    ALA  23           HN       ALA  23 -22.951 -12.111  10.662
  192    HA   ALA  23           HA       ALA  23 -24.787 -11.067  11.576
  193    HB1  ALA  23           HB1      ALA  23 -26.824 -12.173  11.726
  194    HB2  ALA  23           HB2      ALA  23 -26.093 -13.678  12.283
  195    HB3  ALA  23           HB3      ALA  23 -25.971 -13.214  10.588
  196    H    SER  24           HN       SER  24 -24.490 -14.111  13.426
  197    HA   SER  24           HA       SER  24 -24.601 -12.695  15.938
  198    HB2  SER  24           HB2      SER  24 -25.574 -14.958  15.642
  199    HB3  SER  24           HB1      SER  24 -23.954 -15.599  15.381
  200    HG   SER  24           HG       SER  24 -23.534 -14.476  17.512
  201    H    TYR  25           HN       TYR  25 -22.139 -13.705  13.772
  202    HA   TYR  25           HA       TYR  25 -19.997 -13.872  15.677
  203    HB2  TYR  25           HB2      TYR  25 -20.038 -13.624  12.666
  204    HB3  TYR  25           HB1      TYR  25 -18.558 -13.791  13.611
  205    HD1  TYR  25           HD2      TYR  25 -21.843 -15.428  12.902
  206    HD2  TYR  25           HD1      TYR  25 -17.840 -15.914  14.386
  207    HE1  TYR  25           HE2      TYR  25 -22.175 -17.883  12.998
  208    HE2  TYR  25           HE1      TYR  25 -18.176 -18.370  14.485
  209    HH   TYR  25           HH       TYR  25 -20.838 -19.855  14.621
  210    H    GLN  26           HN       GLN  26 -21.671 -11.320  14.156
  211    HA   GLN  26           HA       GLN  26 -19.724  -9.354  13.833
  212    HB2  GLN  26           HB2      GLN  26 -21.512  -7.767  13.902
  213    HB3  GLN  26           HB1      GLN  26 -22.178  -9.237  13.188
  214    HG2  GLN  26           HG2      GLN  26 -22.913  -9.874  15.563
  215    HG3  GLN  26           HG1      GLN  26 -22.541  -8.210  16.008
  216   HE21  GLN  26          HE21      GLN  26 -23.431  -7.603  13.009
  217   HE22  GLN  26          HE22      GLN  26 -25.117  -7.490  13.164
  218    H    GLY  27           HN       GLY  27 -20.829 -10.842  16.701
  219    HA2  GLY  27           HA2      GLY  27 -20.610  -8.846  18.627
  220    HA3  GLY  27           HA1      GLY  27 -20.241 -10.545  18.909
  221    H    ILE  28           HN       ILE  28 -18.140 -10.397  16.747
  222    HA   ILE  28           HA       ILE  28 -15.918  -9.807  18.439
  223    HB   ILE  28           HB       ILE  28 -15.893 -11.524  16.621
  224   HG12  ILE  28          HG12      ILE  28 -13.789  -9.383  16.213
  225   HG13  ILE  28          HG11      ILE  28 -13.817 -10.447  17.619
  226   HG21  ILE  28          HG21      ILE  28 -15.545  -9.182  14.746
  227   HG22  ILE  28          HG22      ILE  28 -17.101  -9.975  14.987
  228   HG23  ILE  28          HG23      ILE  28 -15.740 -10.884  14.331
  229   HD11  ILE  28          HD11      ILE  28 -13.538 -11.263  14.714
  230   HD12  ILE  28          HD12      ILE  28 -13.809 -12.410  16.026
  231   HD13  ILE  28          HD13      ILE  28 -12.336 -11.441  15.992
  232    H    LEU  29           HN       LEU  29 -17.800  -7.962  16.210
  233    HA   LEU  29           HA       LEU  29 -15.788  -5.853  15.902
  234    HB2  LEU  29           HB2      LEU  29 -18.685  -5.893  15.015
  235    HB3  LEU  29           HB1      LEU  29 -17.414  -4.818  14.440
  236    HG   LEU  29           HG       LEU  29 -17.356  -7.829  14.115
  237   HD11  LEU  29          HD11      LEU  29 -17.914  -5.806  11.944
  238   HD12  LEU  29          HD12      LEU  29 -19.210  -6.578  12.855
  239   HD13  LEU  29          HD13      LEU  29 -18.113  -7.555  11.880
  240   HD21  LEU  29          HD21      LEU  29 -15.638  -7.116  12.325
  241   HD22  LEU  29          HD22      LEU  29 -15.131  -6.999  14.007
  242   HD23  LEU  29          HD23      LEU  29 -15.629  -5.550  13.136
  243    H    ASP  30           HN       ASP  30 -18.721  -6.538  17.712
  244    HA   ASP  30           HA       ASP  30 -19.277  -3.911  18.595
  245    HB2  ASP  30           HB2      ASP  30 -19.867  -6.613  19.815
  246    HB3  ASP  30           HB1      ASP  30 -20.459  -5.095  20.489
  247    H    GLN  31           HN       GLN  31 -16.909  -6.263  19.548
  248    HA   GLN  31           HA       GLN  31 -16.303  -5.324  22.143
  249    HB2  GLN  31           HB2      GLN  31 -14.566  -6.728  20.110
  250    HB3  GLN  31           HB1      GLN  31 -14.131  -6.490  21.811
  251    HG2  GLN  31           HG2      GLN  31 -15.954  -7.780  22.565
  252    HG3  GLN  31           HG1      GLN  31 -16.732  -7.781  20.986
  253   HE21  GLN  31          HE21      GLN  31 -16.564 -10.291  21.575
  254   HE22  GLN  31          HE22      GLN  31 -15.165 -11.070  21.011
  255    H    LEU  32           HN       LEU  32 -15.159  -4.394  18.946
  256    HA   LEU  32           HA       LEU  32 -13.065  -2.719  19.799
  257    HB2  LEU  32           HB2      LEU  32 -14.782  -2.878  17.322
  258    HB3  LEU  32           HB1      LEU  32 -13.618  -1.568  17.510
  259    HG   LEU  32           HG       LEU  32 -11.796  -3.135  17.726
  260   HD11  LEU  32          HD11      LEU  32 -12.292  -5.627  17.431
  261   HD12  LEU  32          HD12      LEU  32 -13.976  -5.222  17.771
  262   HD13  LEU  32          HD13      LEU  32 -12.735  -4.929  18.989
  263   HD21  LEU  32          HD21      LEU  32 -13.494  -4.203  15.475
  264   HD22  LEU  32          HD22      LEU  32 -11.735  -4.045  15.525
  265   HD23  LEU  32          HD23      LEU  32 -12.752  -2.604  15.417
  266    H    ASP  33           HN       ASP  33 -16.470  -1.987  19.021
  267    HA   ASP  33           HA       ASP  33 -16.267   0.748  19.875
  268    HB2  ASP  33           HB2      ASP  33 -18.632  -1.014  19.228
  269    HB3  ASP  33           HB1      ASP  33 -18.783   0.677  19.705
  270    H    LEU  34           HN       LEU  34 -17.421  -2.246  21.378
  271    HA   LEU  34           HA       LEU  34 -18.627  -1.090  23.636
  272    HB2  LEU  34           HB2      LEU  34 -18.937  -3.461  22.921
  273    HB3  LEU  34           HB1      LEU  34 -17.306  -3.800  23.487
  274    HG   LEU  34           HG       LEU  34 -17.961  -3.066  25.770
  275   HD11  LEU  34          HD11      LEU  34 -20.540  -2.487  24.337
  276   HD12  LEU  34          HD12      LEU  34 -19.735  -1.572  25.612
  277   HD13  LEU  34          HD13      LEU  34 -20.622  -3.040  26.011
  278   HD21  LEU  34          HD21      LEU  34 -19.068  -5.089  26.330
  279   HD22  LEU  34          HD22      LEU  34 -18.233  -5.478  24.827
  280   HD23  LEU  34          HD23      LEU  34 -19.960  -5.123  24.810
  281    H    VAL  35           HN       VAL  35 -15.263  -2.155  23.090
  282    HA   VAL  35           HA       VAL  35 -14.175  -1.995  25.574
  283    HB   VAL  35           HB       VAL  35 -13.013  -2.325  23.277
  284   HG11  VAL  35          HG11      VAL  35 -12.059  -0.451  22.239
  285   HG12  VAL  35          HG12      VAL  35 -12.237   0.564  23.669
  286   HG13  VAL  35          HG13      VAL  35 -13.648   0.157  22.696
  287   HG21  VAL  35          HG21      VAL  35 -11.846  -0.945  25.711
  288   HG22  VAL  35          HG22      VAL  35 -10.835  -1.482  24.379
  289   HG23  VAL  35          HG23      VAL  35 -11.788  -2.659  25.303
  290    H    HIS  36           HN       HIS  36 -15.696   0.584  23.920
  291    HA   HIS  36           HA       HIS  36 -14.381   2.723  25.311
  292    HB2  HIS  36           HB2      HIS  36 -16.955   2.578  23.730
  293    HB3  HIS  36           HB1      HIS  36 -16.308   4.074  24.406
  294    HD2  HIS  36           HD2      HIS  36 -14.098   5.144  23.009
  295    HE1  HIS  36           HE1      HIS  36 -13.857   2.107  20.087
  296    HE2  HIS  36           HE2      HIS  36 -12.973   4.385  20.778
  297    H    GLN  37           HN       GLN  37 -16.693   0.429  26.225
  298    HA   GLN  37           HA       GLN  37 -18.102   2.104  28.133
  299    HB2  GLN  37           HB2      GLN  37 -19.300   0.285  27.000
  300    HB3  GLN  37           HB1      GLN  37 -18.179  -0.889  27.686
  301    HG2  GLN  37           HG2      GLN  37 -18.902  -0.335  29.945
  302    HG3  GLN  37           HG1      GLN  37 -19.931   0.959  29.332
  303   HE21  GLN  37          HE21      GLN  37 -22.037   0.184  29.694
  304   HE22  GLN  37          HE22      GLN  37 -22.599  -1.330  29.172
  305    H    ALA  38           HN       ALA  38 -15.527  -0.381  28.167
  306    HA   ALA  38           HA       ALA  38 -15.415  -0.431  31.048
  307    HB1  ALA  38           HB1      ALA  38 -13.640  -1.516  28.863
  308    HB2  ALA  38           HB2      ALA  38 -14.683  -2.413  29.964
  309    HB3  ALA  38           HB3      ALA  38 -13.219  -1.643  30.570
  310    H    LYS  39           HN       LYS  39 -13.692   0.432  32.326
  311    HA   LYS  39           HA       LYS  39 -11.921   2.415  31.097
  312    HB2  LYS  39           HB2      LYS  39 -13.941   3.105  33.245
  313    HB3  LYS  39           HB1      LYS  39 -12.576   4.126  32.812
  314    HG2  LYS  39           HG2      LYS  39 -14.742   3.265  30.866
  315    HG3  LYS  39           HG1      LYS  39 -14.722   4.806  31.716
  316    HD2  LYS  39           HD2      LYS  39 -12.344   5.096  30.696
  317    HD3  LYS  39           HD1      LYS  39 -12.824   3.816  29.583
  318    HE2  LYS  39           HE2      LYS  39 -14.384   6.379  30.021
  319    HE3  LYS  39           HE1      LYS  39 -13.288   6.087  28.672
  320    HZ1  LYS  39           HZ1      LYS  39 -15.784   5.618  28.374
  321    HZ2  LYS  39           HZ2      LYS  39 -15.471   4.195  29.249
  322    HZ3  LYS  39           HZ3      LYS  39 -14.667   4.489  27.782
  323    H    GLY  40           HN       GLY  40 -10.245   3.133  32.503
  324    HA2  GLY  40           HA2      GLY  40  -8.828   2.978  34.363
  325    HA3  GLY  40           HA1      GLY  40  -9.875   1.732  35.040
  326    H    ARG  41           HN       ARG  41  -7.679   0.731  35.424
  327    HA   ARG  41           HA       ARG  41  -6.119  -0.236  33.258
  328    HB2  ARG  41           HB2      ARG  41  -5.078  -1.690  34.936
  329    HB3  ARG  41           HB1      ARG  41  -5.264  -0.051  35.564
  330    HG2  ARG  41           HG2      ARG  41  -7.400  -0.770  36.659
  331    HG3  ARG  41           HG1      ARG  41  -7.068  -2.421  36.139
  332    HD2  ARG  41           HD2      ARG  41  -5.194  -0.766  37.843
  333    HD3  ARG  41           HD1      ARG  41  -6.328  -1.953  38.484
  334    HE   ARG  41           HE       ARG  41  -3.852  -2.507  37.063
  335   HH11  ARG  41          HH21      ARG  41  -6.947  -3.643  38.119
  336   HH12  ARG  41          HH22      ARG  41  -6.504  -5.317  38.066
  337   HH21  ARG  41          HH11      ARG  41  -3.264  -4.700  36.994
  338   HH22  ARG  41          HH12      ARG  41  -4.419  -5.915  37.429
  339    H    ASP  42           HN       ASP  42  -9.068  -1.305  34.698
  340    HA   ASP  42           HA       ASP  42  -8.984  -4.050  34.033
  341    HB2  ASP  42           HB2      ASP  42 -10.626  -2.935  35.578
  342    HB3  ASP  42           HB1      ASP  42 -11.439  -2.297  34.150
  343    H    GLN  43           HN       GLN  43  -9.922  -1.186  32.208
  344    HA   GLN  43           HA       GLN  43 -11.136  -2.516  30.014
  345    HB2  GLN  43           HB2      GLN  43 -11.459  -0.123  30.385
  346    HB3  GLN  43           HB1      GLN  43  -9.732   0.159  30.179
  347    HG2  GLN  43           HG2      GLN  43  -9.840  -0.549  27.849
  348    HG3  GLN  43           HG1      GLN  43 -11.532  -1.006  28.032
  349   HE21  GLN  43          HE21      GLN  43 -11.362   0.746  26.074
  350   HE22  GLN  43          HE22      GLN  43 -11.703   2.337  26.554
  351    H    ILE  44           HN       ILE  44  -7.902  -1.114  30.346
  352    HA   ILE  44           HA       ILE  44  -7.042  -2.234  27.879
  353    HB   ILE  44           HB       ILE  44  -5.380  -1.242  30.188
  354   HG12  ILE  44          HG12      ILE  44  -6.193   0.326  27.728
  355   HG13  ILE  44          HG11      ILE  44  -7.149   0.369  29.213
  356   HG21  ILE  44          HG21      ILE  44  -3.794  -0.741  28.235
  357   HG22  ILE  44          HG22      ILE  44  -4.840  -1.778  27.263
  358   HG23  ILE  44          HG23      ILE  44  -3.995  -2.439  28.664
  359   HD11  ILE  44          HD11      ILE  44  -5.486   2.225  29.084
  360   HD12  ILE  44          HD12      ILE  44  -4.195   1.024  29.061
  361   HD13  ILE  44          HD13      ILE  44  -5.235   1.174  30.478
  362    H    ALA  45           HN       ALA  45  -6.621  -3.153  31.298
  363    HA   ALA  45           HA       ALA  45  -4.779  -5.198  31.044
  364    HB1  ALA  45           HB1      ALA  45  -5.539  -4.532  33.236
  365    HB2  ALA  45           HB2      ALA  45  -5.931  -6.239  33.030
  366    HB3  ALA  45           HB3      ALA  45  -7.193  -5.017  32.862
  367    H    ALA  46           HN       ALA  46  -8.170  -5.124  30.224
  368    HA   ALA  46           HA       ALA  46  -8.598  -7.874  29.792
  369    HB1  ALA  46           HB1      ALA  46 -10.601  -6.722  29.802
  370    HB2  ALA  46           HB2      ALA  46 -10.310  -6.853  28.085
  371    HB3  ALA  46           HB3      ALA  46  -9.926  -5.366  28.922
  372    H    SER  47           HN       SER  47  -7.053  -5.378  27.948
  373    HA   SER  47           HA       SER  47  -6.999  -6.544  25.440
  374    HB2  SER  47           HB2      SER  47  -5.199  -5.146  24.873
  375    HB3  SER  47           HB1      SER  47  -6.258  -4.257  25.964
  376    HG   SER  47           HG       SER  47  -4.479  -4.008  27.079
  377    H    PHE  48           HN       PHE  48  -4.990  -7.285  28.219
  378    HA   PHE  48           HA       PHE  48  -3.215  -9.036  26.740
  379    HB2  PHE  48           HB2      PHE  48  -3.578  -8.481  29.688
  380    HB3  PHE  48           HB1      PHE  48  -2.408  -9.645  29.060
  381    HD1  PHE  48           HD1      PHE  48  -0.560  -8.901  27.572
  382    HD2  PHE  48           HD2      PHE  48  -3.240  -6.111  29.438
  383    HE1  PHE  48           HE1      PHE  48   1.003  -7.049  27.045
  384    HE2  PHE  48           HE2      PHE  48  -1.675  -4.259  28.915
  385    HZ   PHE  48           HZ       PHE  48   0.444  -4.728  27.718
  386    H    GLU  49           HN       GLU  49  -6.313  -9.416  28.225
  387    HA   GLU  49           HA       GLU  49  -6.123 -12.119  29.045
  388    HB2  GLU  49           HB2      GLU  49  -7.886 -10.486  29.722
  389    HB3  GLU  49           HB1      GLU  49  -8.578 -10.635  28.109
  390    HG2  GLU  49           HG2      GLU  49  -9.788 -12.138  29.549
  391    HG3  GLU  49           HG1      GLU  49  -8.763 -13.128  28.516
  392    H    LEU  50           HN       LEU  50  -7.971 -10.925  26.224
  393    HA   LEU  50           HA       LEU  50  -8.152 -13.510  25.089
  394    HB2  LEU  50           HB2      LEU  50  -9.609 -11.341  24.741
  395    HB3  LEU  50           HB1      LEU  50  -8.496 -11.087  23.409
  396    HG   LEU  50           HG       LEU  50  -9.066 -13.562  22.782
  397   HD11  LEU  50          HD11      LEU  50 -11.023 -14.490  23.632
  398   HD12  LEU  50          HD12      LEU  50 -11.724 -12.923  24.034
  399   HD13  LEU  50          HD13      LEU  50 -10.464 -13.614  25.058
  400   HD21  LEU  50          HD21      LEU  50 -10.858 -11.142  22.384
  401   HD22  LEU  50          HD22      LEU  50 -11.192 -12.679  21.584
  402   HD23  LEU  50          HD23      LEU  50  -9.688 -11.828  21.261
  403    H    ASN  51           HN       ASN  51  -5.748 -11.083  24.970
  404    HA   ASN  51           HA       ASN  51  -4.508 -11.195  22.577
  405    HB2  ASN  51           HB2      ASN  51  -3.594  -9.940  24.458
  406    HB3  ASN  51           HB1      ASN  51  -3.193 -11.438  25.292
  407   HD21  ASN  51          HD21      ASN  51  -1.032  -9.846  24.950
  408   HD22  ASN  51          HD22      ASN  51  -0.052 -10.371  23.668
  409    H    LYS  52           HN       LYS  52  -3.778 -13.532  25.166
  410    HA   LYS  52           HA       LYS  52  -2.232 -15.237  23.507
  411    HB2  LYS  52           HB2      LYS  52  -3.621 -15.697  26.142
  412    HB3  LYS  52           HB1      LYS  52  -2.560 -16.885  25.384
  413    HG2  LYS  52           HG2      LYS  52  -0.719 -15.252  25.359
  414    HG3  LYS  52           HG1      LYS  52  -1.767 -14.043  26.098
  415    HD2  LYS  52           HD2      LYS  52  -1.233 -16.715  27.409
  416    HD3  LYS  52           HD1      LYS  52  -0.185 -15.323  27.671
  417    HE2  LYS  52           HE2      LYS  52  -2.276 -14.026  28.353
  418    HE3  LYS  52           HE1      LYS  52  -3.124 -15.574  28.359
  419    HZ1  LYS  52           HZ1      LYS  52  -1.120 -14.557  30.189
  420    HZ2  LYS  52           HZ2      LYS  52  -0.976 -16.199  29.775
  421    HZ3  LYS  52           HZ3      LYS  52  -2.413 -15.617  30.470
  422    H    LYS  53           HN       LYS  53  -5.622 -15.315  24.518
  423    HA   LYS  53           HA       LYS  53  -6.295 -17.811  23.397
  424    HB2  LYS  53           HB2      LYS  53  -8.048 -15.393  23.849
  425    HB3  LYS  53           HB1      LYS  53  -8.620 -17.033  23.570
  426    HG2  LYS  53           HG2      LYS  53  -7.486 -17.807  25.594
  427    HG3  LYS  53           HG1      LYS  53  -6.844 -16.189  25.874
  428    HD2  LYS  53           HD2      LYS  53  -9.190 -15.335  25.993
  429    HD3  LYS  53           HD1      LYS  53  -9.767 -16.995  25.868
  430    HE2  LYS  53           HE2      LYS  53  -8.608 -17.593  27.914
  431    HE3  LYS  53           HE1      LYS  53  -7.883 -15.989  28.006
  432    HZ1  LYS  53           HZ1      LYS  53 -10.409 -16.835  28.932
  433    HZ2  LYS  53           HZ2      LYS  53 -10.620 -15.627  27.756
  434    HZ3  LYS  53           HZ3      LYS  53  -9.658 -15.326  29.122
  435    H    ILE  54           HN       ILE  54  -6.058 -14.596  21.967
  436    HA   ILE  54           HA       ILE  54  -7.518 -15.132  19.603
  437    HB   ILE  54           HB       ILE  54  -5.377 -13.119  20.317
  438   HG12  ILE  54          HG12      ILE  54  -8.357 -13.024  19.756
  439   HG13  ILE  54          HG11      ILE  54  -7.523 -12.618  21.248
  440   HG21  ILE  54          HG21      ILE  54  -6.769 -13.332  17.617
  441   HG22  ILE  54          HG22      ILE  54  -5.054 -13.636  17.901
  442   HG23  ILE  54          HG23      ILE  54  -5.705 -12.025  18.133
  443   HD11  ILE  54          HD11      ILE  54  -8.027 -10.977  18.867
  444   HD12  ILE  54          HD12      ILE  54  -6.372 -10.856  19.443
  445   HD13  ILE  54          HD13      ILE  54  -7.714 -10.464  20.519
  446    H    ASN  55           HN       ASN  55  -4.338 -16.011  20.647
  447    HA   ASN  55           HA       ASN  55  -2.982 -16.382  18.276
  448    HB2  ASN  55           HB2      ASN  55  -1.957 -16.800  20.460
  449    HB3  ASN  55           HB1      ASN  55  -3.001 -18.201  20.701
  450   HD21  ASN  55          HD21      ASN  55  -0.701 -16.963  18.203
  451   HD22  ASN  55          HD22      ASN  55  -0.026 -18.485  17.874
  452    H    ASP  56           HN       ASP  56  -5.813 -17.971  19.392
  453    HA   ASP  56           HA       ASP  56  -5.620 -20.423  17.999
  454    HB2  ASP  56           HB2      ASP  56  -7.984 -18.784  18.918
  455    HB3  ASP  56           HB1      ASP  56  -8.161 -20.349  18.127
  456    H    TYR  57           HN       TYR  57  -6.760 -17.209  17.022
  457    HA   TYR  57           HA       TYR  57  -7.965 -17.884  14.591
  458    HB2  TYR  57           HB2      TYR  57  -6.527 -15.394  15.518
  459    HB3  TYR  57           HB1      TYR  57  -7.202 -15.504  13.893
  460    HD1  TYR  57           HD1      TYR  57  -8.101 -15.928  17.498
  461    HD2  TYR  57           HD2      TYR  57  -9.493 -15.093  13.524
  462    HE1  TYR  57           HE1      TYR  57 -10.347 -15.384  18.401
  463    HE2  TYR  57           HE2      TYR  57 -11.739 -14.553  14.425
  464    HH   TYR  57           HH       TYR  57 -12.326 -14.014  17.699
  465    H    ILE  58           HN       ILE  58  -4.553 -17.217  15.327
  466    HA   ILE  58           HA       ILE  58  -3.605 -17.410  12.667
  467    HB   ILE  58           HB       ILE  58  -2.236 -17.875  15.328
  468   HG12  ILE  58          HG12      ILE  58  -2.013 -15.594  13.343
  469   HG13  ILE  58          HG11      ILE  58  -3.124 -15.582  14.718
  470   HG21  ILE  58          HG21      ILE  58  -0.921 -19.092  13.750
  471   HG22  ILE  58          HG22      ILE  58  -0.136 -17.519  13.885
  472   HG23  ILE  58          HG23      ILE  58  -1.162 -17.875  12.496
  473   HD11  ILE  58          HD11      ILE  58  -1.382 -15.513  16.287
  474   HD12  ILE  58          HD12      ILE  58  -0.755 -14.499  14.988
  475   HD13  ILE  58          HD13      ILE  58  -0.198 -16.162  15.154
  476    H    ALA  59           HN       ALA  59  -3.953 -19.819  15.251
  477    HA   ALA  59           HA       ALA  59  -2.764 -21.982  13.900
  478    HB1  ALA  59           HB1      ALA  59  -3.818 -23.388  15.537
  479    HB2  ALA  59           HB2      ALA  59  -5.028 -22.157  15.896
  480    HB3  ALA  59           HB3      ALA  59  -3.342 -21.896  16.348
  481    H    GLU  60           HN       GLU  60  -6.021 -20.657  13.802
  482    HA   GLU  60           HA       GLU  60  -7.196 -22.831  12.366
  483    HB2  GLU  60           HB2      GLU  60  -8.025 -19.950  12.745
  484    HB3  GLU  60           HB1      GLU  60  -9.001 -21.135  11.878
  485    HG2  GLU  60           HG2      GLU  60  -9.119 -22.552  13.860
  486    HG3  GLU  60           HG1      GLU  60  -8.045 -21.465  14.735
  487    H    HIS  61           HN       HIS  61  -5.759 -19.730  11.404
  488    HA   HIS  61           HA       HIS  61  -5.533 -20.739   8.631
  489    HB2  HIS  61           HB2      HIS  61  -6.361 -17.911   9.283
  490    HB3  HIS  61           HB1      HIS  61  -6.336 -18.695   7.704
  491    HD2  HIS  61           HD2      HIS  61  -8.803 -18.126  10.573
  492    HE1  HIS  61           HE1      HIS  61 -10.400 -21.292   8.282
  493    HE2  HIS  61           HE2      HIS  61 -10.891 -19.634  10.143
  494    HA   PRO  62           HA       PRO  62  -1.676 -18.717  10.345
  495    HB2  PRO  62           HB2      PRO  62  -0.000 -20.870  10.169
  496    HB3  PRO  62           HB1      PRO  62  -1.033 -20.566  11.580
  497    HG2  PRO  62           HG2      PRO  62  -1.431 -22.472   9.324
  498    HG3  PRO  62           HG1      PRO  62  -1.789 -22.674  11.047
  499    HD2  PRO  62           HD2      PRO  62  -3.698 -22.057   9.137
  500    HD3  PRO  62           HD1      PRO  62  -3.865 -21.663  10.859
  501    H    THR  63           HN       THR  63  -2.511 -20.525   7.520
  502    HA   THR  63           HA       THR  63  -0.145 -19.980   5.999
  503    HB   THR  63           HB       THR  63  -1.485 -20.763   4.085
  504    HG1  THR  63           HG1      THR  63  -3.669 -21.440   4.644
  505   HG21  THR  63          HG21      THR  63  -0.469 -22.456   5.495
  506   HG22  THR  63          HG22      THR  63  -2.079 -23.008   5.033
  507   HG23  THR  63          HG23      THR  63  -1.801 -22.350   6.646
  508    H    SER  64           HN       SER  64  -3.080 -18.257   6.701
  509    HA   SER  64           HA       SER  64  -2.771 -16.367   4.516
  510    HB2  SER  64           HB2      SER  64  -5.016 -16.947   5.312
  511    HB3  SER  64           HB1      SER  64  -4.615 -16.348   6.920
  512    HG   SER  64           HG       SER  64  -4.640 -14.324   6.184
  513    H    GLY  65           HN       GLY  65  -1.918 -14.338   4.629
  514    HA2  GLY  65           HA2      GLY  65  -0.206 -13.741   6.902
  515    HA3  GLY  65           HA1      GLY  65  -0.315 -12.826   5.401
  516    H    ARG  66           HN       ARG  66  -3.386 -13.026   5.931
  517    HA   ARG  66           HA       ARG  66  -3.700 -10.411   6.973
  518    HB2  ARG  66           HB2      ARG  66  -5.731 -12.638   6.661
  519    HB3  ARG  66           HB1      ARG  66  -6.120 -10.948   6.978
  520    HG2  ARG  66           HG2      ARG  66  -4.444 -11.735   4.594
  521    HG3  ARG  66           HG1      ARG  66  -6.203 -11.770   4.519
  522    HD2  ARG  66           HD2      ARG  66  -6.226  -9.369   5.246
  523    HD3  ARG  66           HD1      ARG  66  -4.470  -9.358   5.140
  524    HE   ARG  66           HE       ARG  66  -5.766 -10.240   2.714
  525   HH11  ARG  66          HH21      ARG  66  -4.639  -7.567   4.605
  526   HH12  ARG  66          HH22      ARG  66  -4.457  -6.506   3.246
  527   HH21  ARG  66          HH11      ARG  66  -5.525  -8.852   0.930
  528   HH22  ARG  66          HH12      ARG  66  -4.958  -7.234   1.170
  529    H    ASN  67           HN       ASN  67  -3.878 -13.609   8.419
  530    HA   ASN  67           HA       ASN  67  -5.100 -13.016  10.847
  531    HB2  ASN  67           HB2      ASN  67  -2.979 -15.012  10.065
  532    HB3  ASN  67           HB1      ASN  67  -3.562 -14.908  11.725
  533   HD21  ASN  67          HD21      ASN  67  -5.697 -15.694  12.183
  534   HD22  ASN  67          HD22      ASN  67  -6.654 -16.465  11.013
  535    H    GLN  68           HN       GLN  68  -1.786 -12.450   9.790
  536    HA   GLN  68           HA       GLN  68  -0.595 -11.868  12.247
  537    HB2  GLN  68           HB2      GLN  68  -0.100 -10.681   9.509
  538    HB3  GLN  68           HB1      GLN  68   0.943 -10.407  10.905
  539    HG2  GLN  68           HG2      GLN  68   1.363 -12.808  11.105
  540    HG3  GLN  68           HG1      GLN  68   0.259 -13.132   9.769
  541   HE21  GLN  68          HE21      GLN  68   2.589 -14.139   9.117
  542   HE22  GLN  68          HE22      GLN  68   3.531 -13.117   8.143
  543    H    ALA  69           HN       ALA  69  -2.503  -9.789  10.088
  544    HA   ALA  69           HA       ALA  69  -2.161  -7.441  11.709
  545    HB1  ALA  69           HB1      ALA  69  -4.339  -7.924   9.675
  546    HB2  ALA  69           HB2      ALA  69  -2.695  -7.467   9.228
  547    HB3  ALA  69           HB3      ALA  69  -3.678  -6.379  10.209
  548    H    LEU  70           HN       LEU  70  -4.857  -9.719  11.177
  549    HA   LEU  70           HA       LEU  70  -6.663  -8.517  13.001
  550    HB2  LEU  70           HB2      LEU  70  -6.383 -11.255  11.770
  551    HB3  LEU  70           HB1      LEU  70  -7.555 -11.017  13.062
  552    HG   LEU  70           HG       LEU  70  -8.668  -9.279  11.810
  553   HD11  LEU  70          HD11      LEU  70  -6.879  -8.161  10.692
  554   HD12  LEU  70          HD12      LEU  70  -7.861  -8.866   9.406
  555   HD13  LEU  70          HD13      LEU  70  -6.358  -9.646   9.897
  556   HD21  LEU  70          HD21      LEU  70  -9.382 -10.599   9.808
  557   HD22  LEU  70          HD22      LEU  70  -9.359 -11.554  11.291
  558   HD23  LEU  70          HD23      LEU  70  -8.051 -11.714  10.117
  559    H    THR  71           HN       THR  71  -4.278 -11.132  13.418
  560    HA   THR  71           HA       THR  71  -4.972 -11.769  16.045
  561    HB   THR  71           HB       THR  71  -2.197 -11.902  14.866
  562    HG1  THR  71           HG1      THR  71  -4.094 -13.971  14.849
  563   HG21  THR  71          HG21      THR  71  -3.157 -14.058  16.631
  564   HG22  THR  71          HG22      THR  71  -3.052 -12.503  17.453
  565   HG23  THR  71          HG23      THR  71  -1.628 -13.185  16.675
  566    H    GLN  72           HN       GLN  72  -2.393  -9.641  14.864
  567    HA   GLN  72           HA       GLN  72  -1.654  -8.715  17.444
  568    HB2  GLN  72           HB2      GLN  72  -0.144  -8.658  15.515
  569    HB3  GLN  72           HB1      GLN  72  -1.189  -7.471  14.736
  570    HG2  GLN  72           HG2      GLN  72  -0.790  -5.865  16.519
  571    HG3  GLN  72           HG1      GLN  72   0.119  -7.063  17.438
  572   HE21  GLN  72          HE21      GLN  72   1.329  -4.599  16.714
  573   HE22  GLN  72          HE22      GLN  72   2.538  -4.902  15.563
  574    H    LEU  73           HN       LEU  73  -3.752  -7.384  14.902
  575    HA   LEU  73           HA       LEU  73  -4.176  -4.929  16.188
  576    HB2  LEU  73           HB2      LEU  73  -4.664  -5.225  13.803
  577    HB3  LEU  73           HB1      LEU  73  -5.940  -6.373  14.185
  578    HG   LEU  73           HG       LEU  73  -6.663  -3.969  13.634
  579   HD11  LEU  73          HD11      LEU  73  -7.793  -4.476  16.329
  580   HD12  LEU  73          HD12      LEU  73  -7.838  -5.872  15.251
  581   HD13  LEU  73          HD13      LEU  73  -8.598  -4.365  14.765
  582   HD21  LEU  73          HD21      LEU  73  -4.786  -3.021  15.137
  583   HD22  LEU  73          HD22      LEU  73  -5.845  -3.393  16.495
  584   HD23  LEU  73          HD23      LEU  73  -6.354  -2.256  15.263
  585    H    LYS  74           HN       LYS  74  -6.344  -7.746  15.992
  586    HA   LYS  74           HA       LYS  74  -8.310  -6.723  17.733
  587    HB2  LYS  74           HB2      LYS  74  -7.527  -9.584  17.090
  588    HB3  LYS  74           HB1      LYS  74  -8.983  -9.143  17.955
  589    HG2  LYS  74           HG2      LYS  74  -9.567  -7.666  15.956
  590    HG3  LYS  74           HG1      LYS  74  -8.267  -8.499  15.100
  591    HD2  LYS  74           HD2      LYS  74 -10.744  -9.751  16.321
  592    HD3  LYS  74           HD1      LYS  74 -10.332  -9.665  14.610
  593    HE2  LYS  74           HE2      LYS  74  -8.193 -10.978  15.275
  594    HE3  LYS  74           HE1      LYS  74  -9.053 -11.337  16.769
  595    HZ1  LYS  74           HZ1      LYS  74 -10.396 -12.762  15.740
  596    HZ2  LYS  74           HZ2      LYS  74  -9.271 -12.736  14.466
  597    HZ3  LYS  74           HZ3      LYS  74 -10.644 -11.736  14.413
  598    H    GLU  75           HN       GLU  75  -5.382  -8.599  18.292
  599    HA   GLU  75           HA       GLU  75  -5.748  -9.254  20.953
  600    HB2  GLU  75           HB2      GLU  75  -3.851 -10.198  19.944
  601    HB3  GLU  75           HB1      GLU  75  -3.297  -8.649  19.318
  602    HG2  GLU  75           HG2      GLU  75  -3.457  -9.114  22.293
  603    HG3  GLU  75           HG1      GLU  75  -2.066  -9.687  21.374
  604    H    GLN  76           HN       GLN  76  -5.063  -6.177  19.493
  605    HA   GLN  76           HA       GLN  76  -4.186  -4.916  21.908
  606    HB2  GLN  76           HB2      GLN  76  -3.689  -4.082  19.603
  607    HB3  GLN  76           HB1      GLN  76  -5.390  -3.646  19.441
  608    HG2  GLN  76           HG2      GLN  76  -5.209  -2.158  21.394
  609    HG3  GLN  76           HG1      GLN  76  -3.509  -2.594  21.575
  610   HE21  GLN  76          HE21      GLN  76  -2.444  -0.670  20.956
  611   HE22  GLN  76          HE22      GLN  76  -2.683   0.101  19.463
  612    H    VAL  77           HN       VAL  77  -7.143  -4.258  20.012
  613    HA   VAL  77           HA       VAL  77  -8.456  -3.300  22.398
  614    HB   VAL  77           HB       VAL  77  -8.620  -2.076  20.318
  615   HG11  VAL  77          HG11      VAL  77 -10.454  -4.209  19.276
  616   HG12  VAL  77          HG12      VAL  77  -8.716  -4.330  18.999
  617   HG13  VAL  77          HG13      VAL  77  -9.610  -2.936  18.395
  618   HG21  VAL  77          HG21      VAL  77 -10.979  -1.618  20.562
  619   HG22  VAL  77          HG22      VAL  77 -10.373  -2.080  22.164
  620   HG23  VAL  77          HG23      VAL  77 -11.284  -3.236  21.192
  621    H    THR  78           HN       THR  78  -9.399  -5.744  19.945
  622    HA   THR  78           HA       THR  78 -11.793  -6.526  21.032
  623    HB   THR  78           HB       THR  78  -9.713  -7.737  19.372
  624    HG1  THR  78           HG1      THR  78 -11.276  -6.934  18.227
  625   HG21  THR  78          HG21      THR  78  -9.902  -9.624  20.774
  626   HG22  THR  78          HG22      THR  78 -10.925  -9.969  19.377
  627   HG23  THR  78          HG23      THR  78 -11.649  -9.450  20.900
  628    H    SER  79           HN       SER  79  -8.577  -7.499  21.962
  629    HA   SER  79           HA       SER  79  -9.469  -9.212  24.039
  630    HB2  SER  79           HB2      SER  79  -6.815  -7.830  23.734
  631    HB3  SER  79           HB1      SER  79  -7.143  -9.249  24.720
  632    HG   SER  79           HG       SER  79  -7.788  -9.292  22.003
  633    H    ALA  80           HN       ALA  80  -8.821  -5.791  23.707
  634    HA   ALA  80           HA       ALA  80  -8.502  -5.008  26.304
  635    HB1  ALA  80           HB1      ALA  80  -9.587  -2.865  25.771
  636    HB2  ALA  80           HB2      ALA  80 -10.007  -3.521  24.197
  637    HB3  ALA  80           HB3      ALA  80  -8.323  -3.338  24.651
  638    H    LEU  81           HN       LEU  81 -11.051  -6.831  25.269
  639    HA   LEU  81           HA       LEU  81 -12.588  -6.039  27.644
  640    HB2  LEU  81           HB2      LEU  81 -13.684  -7.118  25.069
  641    HB3  LEU  81           HB1      LEU  81 -14.629  -6.819  26.528
  642    HG   LEU  81           HG       LEU  81 -12.947  -4.759  25.097
  643   HD11  LEU  81          HD11      LEU  81 -15.957  -4.989  25.103
  644   HD12  LEU  81          HD12      LEU  81 -14.924  -5.635  23.827
  645   HD13  LEU  81          HD13      LEU  81 -14.944  -3.914  24.145
  646   HD21  LEU  81          HD21      LEU  81 -13.185  -3.622  27.061
  647   HD22  LEU  81          HD22      LEU  81 -14.315  -4.820  27.710
  648   HD23  LEU  81          HD23      LEU  81 -14.921  -3.524  26.716
  649    H    GLY  82           HN       GLY  82 -10.875  -8.566  26.143
  650    HA2  GLY  82           HA2      GLY  82 -10.496 -10.747  26.799
  651    HA3  GLY  82           HA1      GLY  82 -10.924 -10.193  28.415
  652    H    LEU  83           HN       LEU  83 -12.674 -10.753  25.338
  653    HA   LEU  83           HA       LEU  83 -15.031 -11.609  26.743
  654    HB2  LEU  83           HB2      LEU  83 -14.462 -12.049  23.812
  655    HB3  LEU  83           HB1      LEU  83 -16.024 -11.944  24.612
  656    HG   LEU  83           HG       LEU  83 -15.741  -9.848  23.561
  657   HD11  LEU  83          HD11      LEU  83 -14.762  -9.211  26.332
  658   HD12  LEU  83          HD12      LEU  83 -16.375  -9.872  26.053
  659   HD13  LEU  83          HD13      LEU  83 -15.918  -8.330  25.330
  660   HD21  LEU  83          HD21      LEU  83 -13.114  -9.192  24.854
  661   HD22  LEU  83          HD22      LEU  83 -13.774  -8.645  23.325
  662   HD23  LEU  83          HD23      LEU  83 -13.093 -10.260  23.454
  663    H    GLU  84           HN       GLU  84 -12.143 -13.160  26.115
  664    HA   GLU  84           HA       GLU  84 -11.487 -15.362  26.207
  665    HB2  GLU  84           HB2      GLU  84 -12.664 -15.284  28.361
  666    HB3  GLU  84           HB1      GLU  84 -14.174 -15.702  27.554
  667    HG2  GLU  84           HG2      GLU  84 -13.268 -17.851  26.862
  668    HG3  GLU  84           HG1      GLU  84 -11.684 -17.433  27.513
  669    H    HIS  85           HN       HIS  85 -11.306 -16.444  24.374
  670    HA   HIS  85           HA       HIS  85 -13.299 -16.665  22.403
  671    HB2  HIS  85           HB2      HIS  85 -10.841 -16.950  22.024
  672    HB3  HIS  85           HB1      HIS  85 -10.943 -18.519  22.825
  673    HD2  HIS  85           HD2      HIS  85 -11.939 -16.876  19.414
  674    HE1  HIS  85           HE1      HIS  85 -12.985 -20.963  19.239
  675    HE2  HIS  85           HE2      HIS  85 -12.784 -18.821  17.890
  676    H    HIS  86           HN       HIS  86 -15.052 -17.897  22.302
  677    HA   HIS  86           HA       HIS  86 -15.510 -19.956  24.305
  678    HB2  HIS  86           HB2      HIS  86 -17.253 -18.919  22.057
  679    HB3  HIS  86           HB1      HIS  86 -17.766 -20.069  23.292
  680    HD2  HIS  86           HD2      HIS  86 -17.379 -16.252  22.859
  681    HE1  HIS  86           HE1      HIS  86 -18.119 -16.939  26.959
  682    HE2  HIS  86           HE2      HIS  86 -17.949 -15.156  25.160
  683    H    HIS  87           HN       HIS  87 -15.716 -22.130  23.932
  684    HA   HIS  87           HA       HIS  87 -15.523 -23.190  21.220
  685    HB2  HIS  87           HB2      HIS  87 -13.564 -24.608  21.796
  686    HB3  HIS  87           HB1      HIS  87 -13.172 -22.889  21.775
  687    HD2  HIS  87           HD2      HIS  87 -13.746 -25.739  24.462
  688    HE1  HIS  87           HE1      HIS  87 -11.891 -22.452  26.352
  689    HE2  HIS  87           HE2      HIS  87 -12.666 -24.849  26.665
  690    H    HIS  88           HN       HIS  88 -15.813 -25.538  21.173
  691    HA   HIS  88           HA       HIS  88 -16.772 -26.832  23.599
  692    HB2  HIS  88           HB2      HIS  88 -18.983 -27.360  22.632
  693    HB3  HIS  88           HB1      HIS  88 -18.772 -25.624  22.863
  694    HD2  HIS  88           HD2      HIS  88 -19.576 -28.076  20.015
  695    HE1  HIS  88           HE1      HIS  88 -18.591 -24.404  18.181
  696    HE2  HIS  88           HE2      HIS  88 -19.568 -26.713  17.787
  697    H    HIS  89           HN       HIS  89 -17.280 -29.122  23.226
  698    HA   HIS  89           HA       HIS  89 -15.381 -30.295  21.407
  699    HB2  HIS  89           HB2      HIS  89 -15.708 -31.338  23.564
  700    HB3  HIS  89           HB1      HIS  89 -17.437 -31.516  23.265
  701    HD2  HIS  89           HD2      HIS  89 -18.094 -33.923  22.064
  702    HE1  HIS  89           HE1      HIS  89 -14.240 -34.970  20.696
  703    HE2  HIS  89           HE2      HIS  89 -16.650 -35.751  20.885
  704    H    HIS  90           HN       HIS  90 -15.735 -31.016  19.402
  705    HA   HIS  90           HA       HIS  90 -18.287 -32.010  18.529
  706    HB2  HIS  90           HB2      HIS  90 -18.585 -29.505  18.434
  707    HB3  HIS  90           HB1      HIS  90 -17.308 -29.468  17.219
  708    HD2  HIS  90           HD2      HIS  90 -21.076 -30.420  17.497
  709    HE1  HIS  90           HE1      HIS  90 -19.839 -31.288  13.554
  710    HE2  HIS  90           HE2      HIS  90 -21.847 -31.109  15.099
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  -8.169  -9.359  30.314
    2    H2   MET   1           HT2      MET   1  -9.845  -9.387  30.585
    3    H3   MET   1           HT3      MET   1  -9.071  -7.930  30.185
    4    HA   MET   1           HA       MET   1  -8.665  -8.604  27.988
    5    HB2  MET   1           HB2      MET   1  -9.248 -10.938  27.271
    6    HB3  MET   1           HB1      MET   1  -7.944 -10.887  28.455
    7    HG2  MET   1           HG2      MET   1  -9.915 -11.155  30.203
    8    HG3  MET   1           HG1      MET   1 -10.793 -11.774  28.807
    9    HE1  MET   1           HE1      MET   1  -9.149 -13.419  27.032
   10    HE2  MET   1           HE2      MET   1 -10.649 -13.885  27.832
   11    HE3  MET   1           HE3      MET   1  -9.274 -14.986  27.844
   12    H    GLY   2           HN       GLY   2 -10.212  -7.391  27.103
   13    HA2  GLY   2           HA2      GLY   2 -12.870  -8.411  26.743
   14    HA3  GLY   2           HA1      GLY   2 -12.818  -7.055  27.860
   15    H    GLN   3           HN       GLN   3 -11.435  -5.155  27.000
   16    HA   GLN   3           HA       GLN   3 -12.692  -4.211  24.644
   17    HB2  GLN   3           HB2      GLN   3 -11.867  -2.761  26.509
   18    HB3  GLN   3           HB1      GLN   3 -10.223  -3.097  25.981
   19    HG2  GLN   3           HG2      GLN   3 -10.630  -2.078  23.831
   20    HG3  GLN   3           HG1      GLN   3 -12.348  -1.906  24.188
   21   HE21  GLN   3          HE21      GLN   3 -10.767   0.377  23.525
   22   HE22  GLN   3          HE22      GLN   3 -10.634   1.358  24.903
   23    H    ILE   4           HN       ILE   4 -12.253  -4.892  22.686
   24    HA   ILE   4           HA       ILE   4  -9.608  -5.882  21.952
   25    HB   ILE   4           HB       ILE   4 -10.955  -6.138  19.649
   26   HG12  ILE   4          HG12      ILE   4 -13.340  -6.430  20.015
   27   HG13  ILE   4          HG11      ILE   4 -13.147  -6.116  21.729
   28   HG21  ILE   4          HG21      ILE   4 -11.717  -7.942  21.939
   29   HG22  ILE   4          HG22      ILE   4 -10.096  -7.954  21.240
   30   HG23  ILE   4          HG23      ILE   4 -11.483  -8.358  20.248
   31   HD11  ILE   4          HD11      ILE   4 -13.960  -4.157  20.232
   32   HD12  ILE   4          HD12      ILE   4 -12.291  -4.055  19.701
   33   HD13  ILE   4          HD13      ILE   4 -12.690  -3.813  21.395
   34    H    PHE   5           HN       PHE   5  -8.633  -5.200  19.891
   35    HA   PHE   5           HA       PHE   5  -8.086  -2.450  19.921
   36    HB2  PHE   5           HB2      PHE   5  -6.849  -4.516  18.781
   37    HB3  PHE   5           HB1      PHE   5  -7.781  -4.026  17.368
   38    HD1  PHE   5           HD2      PHE   5  -7.449  -1.807  16.345
   39    HD2  PHE   5           HD1      PHE   5  -5.111  -3.097  19.702
   40    HE1  PHE   5           HE2      PHE   5  -5.847   0.038  15.934
   41    HE2  PHE   5           HE1      PHE   5  -3.505  -1.253  19.294
   42    HZ   PHE   5           HZ       PHE   5  -3.872   0.312  17.407
   43    H    THR   6           HN       THR   6  -8.458  -0.938  18.056
   44    HA   THR   6           HA       THR   6 -11.275  -0.718  17.555
   45    HB   THR   6           HB       THR   6 -10.432   1.270  16.105
   46    HG1  THR   6           HG1      THR   6  -8.152   0.022  16.724
   47   HG21  THR   6          HG21      THR   6  -9.977   2.605  18.134
   48   HG22  THR   6          HG22      THR   6  -9.790   1.116  19.061
   49   HG23  THR   6          HG23      THR   6 -11.356   1.526  18.357
   50    H    VAL   7           HN       VAL   7 -12.274  -0.571  15.487
   51    HA   VAL   7           HA       VAL   7 -11.571  -2.689  13.733
   52    HB   VAL   7           HB       VAL   7 -13.388  -1.729  12.284
   53   HG11  VAL   7          HG11      VAL   7 -14.094  -2.016  15.221
   54   HG12  VAL   7          HG12      VAL   7 -13.795  -3.371  14.135
   55   HG13  VAL   7          HG13      VAL   7 -15.167  -2.301  13.851
   56   HG21  VAL   7          HG21      VAL   7 -12.941   0.647  13.044
   57   HG22  VAL   7          HG22      VAL   7 -13.714   0.229  14.574
   58   HG23  VAL   7          HG23      VAL   7 -14.640   0.171  13.073
   59    H    GLN   8           HN       GLN   8 -10.676   0.634  13.899
   60    HA   GLN   8           HA       GLN   8 -10.176   1.353  11.292
   61    HB2  GLN   8           HB2      GLN   8  -8.486   1.879  13.749
   62    HB3  GLN   8           HB1      GLN   8  -8.281   2.713  12.209
   63    HG2  GLN   8           HG2      GLN   8 -10.616   3.511  12.331
   64    HG3  GLN   8           HG1      GLN   8 -10.815   2.685  13.875
   65   HE21  GLN   8          HE21      GLN   8  -9.785   3.619  15.763
   66   HE22  GLN   8          HE22      GLN   8  -9.093   5.168  15.729
   67    H    GLU   9           HN       GLU   9  -8.070  -0.560  13.432
   68    HA   GLU   9           HA       GLU   9  -6.017  -0.931  11.482
   69    HB2  GLU   9           HB2      GLU   9  -5.664  -1.155  13.935
   70    HB3  GLU   9           HB1      GLU   9  -6.636  -2.625  13.912
   71    HG2  GLU   9           HG2      GLU   9  -5.062  -3.649  12.316
   72    HG3  GLU   9           HG1      GLU   9  -4.095  -2.175  12.320
   73    H    LEU  10           HN       LEU  10  -8.856  -2.785  12.471
   74    HA   LEU  10           HA       LEU  10  -8.283  -5.107  10.981
   75    HB2  LEU  10           HB2      LEU  10  -9.969  -5.007  12.804
   76    HB3  LEU  10           HB1      LEU  10 -10.995  -4.013  11.773
   77    HG   LEU  10           HG       LEU  10 -11.009  -5.865  10.076
   78   HD11  LEU  10          HD11      LEU  10 -10.313  -8.161  11.232
   79   HD12  LEU  10          HD12      LEU  10  -9.230  -7.123  12.156
   80   HD13  LEU  10          HD13      LEU  10  -9.117  -7.177  10.398
   81   HD21  LEU  10          HD21      LEU  10 -11.920  -6.683  12.845
   82   HD22  LEU  10          HD22      LEU  10 -12.536  -7.312  11.317
   83   HD23  LEU  10          HD23      LEU  10 -12.818  -5.626  11.754
   84    H    LYS  11           HN       LYS  11 -10.083  -2.168  10.211
   85    HA   LYS  11           HA       LYS  11 -11.114  -2.969   7.726
   86    HB2  LYS  11           HB2      LYS  11 -10.377  -0.248   8.813
   87    HB3  LYS  11           HB1      LYS  11 -11.168  -0.479   7.254
   88    HG2  LYS  11           HG2      LYS  11 -13.032  -1.646   8.356
   89    HG3  LYS  11           HG1      LYS  11 -12.244  -1.450   9.919
   90    HD2  LYS  11           HD2      LYS  11 -12.360   0.996   9.691
   91    HD3  LYS  11           HD1      LYS  11 -13.123   0.819   8.109
   92    HE2  LYS  11           HE2      LYS  11 -15.007  -0.394   9.170
   93    HE3  LYS  11           HE1      LYS  11 -14.251  -0.169  10.747
   94    HZ1  LYS  11           HZ1      LYS  11 -15.188   1.816  10.865
   95    HZ2  LYS  11           HZ2      LYS  11 -15.889   1.610   9.331
   96    HZ3  LYS  11           HZ3      LYS  11 -14.350   2.314   9.476
   97    H    GLU  12           HN       GLU  12  -8.029  -1.460   8.597
   98    HA   GLU  12           HA       GLU  12  -7.090  -1.003   5.979
   99    HB2  GLU  12           HB2      GLU  12  -5.628  -1.509   8.575
  100    HB3  GLU  12           HB1      GLU  12  -4.815  -1.054   7.077
  101    HG2  GLU  12           HG2      GLU  12  -6.113   1.013   6.960
  102    HG3  GLU  12           HG1      GLU  12  -7.022   0.551   8.398
  103    H    ARG  13           HN       ARG  13  -6.490  -3.736   8.189
  104    HA   ARG  13           HA       ARG  13  -5.023  -5.245   6.255
  105    HB2  ARG  13           HB2      ARG  13  -6.309  -5.980   8.884
  106    HB3  ARG  13           HB1      ARG  13  -5.416  -7.137   7.896
  107    HG2  ARG  13           HG2      ARG  13  -3.429  -5.667   7.977
  108    HG3  ARG  13           HG1      ARG  13  -4.322  -4.526   8.983
  109    HD2  ARG  13           HD2      ARG  13  -4.617  -6.264  10.703
  110    HD3  ARG  13           HD1      ARG  13  -3.733  -7.411   9.702
  111    HE   ARG  13           HE       ARG  13  -2.601  -5.216  11.248
  112   HH11  ARG  13          HH21      ARG  13  -2.221  -7.536   8.709
  113   HH12  ARG  13          HH22      ARG  13  -0.489  -7.517   8.762
  114   HH21  ARG  13          HH11      ARG  13  -0.329  -5.186  11.323
  115   HH22  ARG  13          HH12      ARG  13   0.581  -6.186  10.241
  116    H    ALA  14           HN       ALA  14  -8.384  -5.165   7.305
  117    HA   ALA  14           HA       ALA  14  -9.183  -7.449   5.768
  118    HB1  ALA  14           HB1      ALA  14 -11.472  -6.752   6.345
  119    HB2  ALA  14           HB2      ALA  14 -10.846  -5.235   6.989
  120    HB3  ALA  14           HB3      ALA  14 -10.429  -6.760   7.768
  121    H    LYS  15           HN       LYS  15  -8.377  -4.292   4.947
  122    HA   LYS  15           HA       LYS  15 -10.240  -3.593   2.988
  123    HB2  LYS  15           HB2      LYS  15  -8.425  -2.112   3.828
  124    HB3  LYS  15           HB1      LYS  15  -7.263  -3.084   2.922
  125    HG2  LYS  15           HG2      LYS  15  -8.361  -2.529   0.822
  126    HG3  LYS  15           HG1      LYS  15  -9.636  -1.666   1.678
  127    HD2  LYS  15           HD2      LYS  15  -8.053  -0.024   0.862
  128    HD3  LYS  15           HD1      LYS  15  -7.880  -0.126   2.614
  129    HE2  LYS  15           HE2      LYS  15  -6.141  -1.878   0.882
  130    HE3  LYS  15           HE1      LYS  15  -5.730  -0.176   1.080
  131    HZ1  LYS  15           HZ1      LYS  15  -6.431  -1.355   3.566
  132    HZ2  LYS  15           HZ2      LYS  15  -5.002  -0.553   3.119
  133    HZ3  LYS  15           HZ3      LYS  15  -5.172  -2.217   2.826
  134    H    VAL  16           HN       VAL  16  -7.262  -5.522   2.692
  135    HA   VAL  16           HA       VAL  16  -6.440  -6.722   0.890
  136    HB   VAL  16           HB       VAL  16  -9.317  -7.672   0.855
  137   HG11  VAL  16          HG11      VAL  16  -8.048  -9.865   0.315
  138   HG12  VAL  16          HG12      VAL  16  -6.670  -8.832  -0.049
  139   HG13  VAL  16          HG13      VAL  16  -8.161  -8.670  -0.972
  140   HG21  VAL  16          HG21      VAL  16  -8.377  -9.392   2.486
  141   HG22  VAL  16          HG22      VAL  16  -8.636  -7.769   3.125
  142   HG23  VAL  16          HG23      VAL  16  -7.009  -8.299   2.694
  143    H    PHE  17           HN       PHE  17  -9.387  -7.141  -0.755
  144    HA   PHE  17           HA       PHE  17  -9.026  -4.875  -2.550
  145    HB2  PHE  17           HB2      PHE  17  -8.804  -7.744  -3.486
  146    HB3  PHE  17           HB1      PHE  17  -8.894  -6.330  -4.535
  147    HD1  PHE  17           HD1      PHE  17  -7.145  -4.425  -4.049
  148    HD2  PHE  17           HD2      PHE  17  -6.691  -8.509  -2.795
  149    HE1  PHE  17           HE1      PHE  17  -4.697  -4.088  -3.833
  150    HE2  PHE  17           HE2      PHE  17  -4.246  -8.172  -2.579
  151    HZ   PHE  17           HZ       PHE  17  -3.249  -5.961  -3.097
  152    H    ALA  18           HN       ALA  18 -10.826  -4.517  -3.911
  153    HA   ALA  18           HA       ALA  18 -13.124  -4.273  -4.114
  154    HB1  ALA  18           HB1      ALA  18 -12.993  -7.289  -4.280
  155    HB2  ALA  18           HB2      ALA  18 -12.493  -6.218  -5.588
  156    HB3  ALA  18           HB3      ALA  18 -14.170  -6.223  -5.045
  157    H    LYS  19           HN       LYS  19 -13.518  -3.542  -1.944
  158    HA   LYS  19           HA       LYS  19 -13.835  -4.984   0.296
  159    HB2  LYS  19           HB2      LYS  19 -14.990  -2.496  -0.700
  160    HB3  LYS  19           HB1      LYS  19 -15.962  -3.241   0.559
  161    HG2  LYS  19           HG2      LYS  19 -14.365  -1.789   1.648
  162    HG3  LYS  19           HG1      LYS  19 -13.866  -3.444   1.964
  163    HD2  LYS  19           HD2      LYS  19 -11.833  -2.500   1.294
  164    HD3  LYS  19           HD1      LYS  19 -12.410  -3.126  -0.243
  165    HE2  LYS  19           HE2      LYS  19 -13.338  -0.922  -0.815
  166    HE3  LYS  19           HE1      LYS  19 -12.810  -0.292   0.742
  167    HZ1  LYS  19           HZ1      LYS  19 -10.793   0.022  -0.056
  168    HZ2  LYS  19           HZ2      LYS  19 -11.367  -0.398  -1.598
  169    HZ3  LYS  19           HZ3      LYS  19 -10.679  -1.582  -0.591
  170    HA   PRO  20           HA       PRO  20 -16.986  -7.957  -1.051
  171    HB2  PRO  20           HB2      PRO  20 -16.824  -8.634   1.868
  172    HB3  PRO  20           HB1      PRO  20 -16.715  -9.707   0.458
  173    HG2  PRO  20           HG2      PRO  20 -14.551  -9.044   1.876
  174    HG3  PRO  20           HG1      PRO  20 -14.482  -9.237   0.113
  175    HD2  PRO  20           HD2      PRO  20 -14.479  -6.728   1.735
  176    HD3  PRO  20           HD1      PRO  20 -13.665  -7.114   0.196
  177    H    ILE  21           HN       ILE  21 -19.215  -8.037  -0.853
  178    HA   ILE  21           HA       ILE  21 -20.540  -5.779   0.239
  179    HB   ILE  21           HB       ILE  21 -21.398  -7.041  -1.702
  180   HG12  ILE  21          HG12      ILE  21 -23.356  -7.234   0.601
  181   HG13  ILE  21          HG11      ILE  21 -22.882  -5.687  -0.115
  182   HG21  ILE  21          HG21      ILE  21 -22.190  -9.173   0.294
  183   HG22  ILE  21          HG22      ILE  21 -20.737  -9.292  -0.699
  184   HG23  ILE  21          HG23      ILE  21 -22.326  -9.235  -1.464
  185   HD11  ILE  21          HD11      ILE  21 -24.928  -6.450  -1.189
  186   HD12  ILE  21          HD12      ILE  21 -24.198  -8.015  -1.547
  187   HD13  ILE  21          HD13      ILE  21 -23.604  -6.562  -2.349
  188    H    GLY  22           HN       GLY  22 -21.625  -5.485   2.122
  189    HA2  GLY  22           HA2      GLY  22 -21.035  -7.248   4.316
  190    HA3  GLY  22           HA1      GLY  22 -21.993  -5.774   4.390
  191    H    ALA  23           HN       ALA  23 -22.704  -8.106   5.769
  192    HA   ALA  23           HA       ALA  23 -25.386  -8.469   4.808
  193    HB1  ALA  23           HB1      ALA  23 -25.350 -10.726   4.192
  194    HB2  ALA  23           HB2      ALA  23 -23.804 -11.021   4.978
  195    HB3  ALA  23           HB3      ALA  23 -23.865 -10.111   3.472
  196    H    SER  24           HN       SER  24 -25.182 -11.231   6.228
  197    HA   SER  24           HA       SER  24 -25.906 -10.218   8.836
  198    HB2  SER  24           HB2      SER  24 -27.101 -12.115   7.762
  199    HB3  SER  24           HB1      SER  24 -25.632 -13.079   7.881
  200    HG   SER  24           HG       SER  24 -27.446 -12.322   9.822
  201    H    TYR  25           HN       TYR  25 -23.066 -11.438   7.335
  202    HA   TYR  25           HA       TYR  25 -21.796 -12.416   9.717
  203    HB2  TYR  25           HB2      TYR  25 -19.880 -12.772   8.361
  204    HB3  TYR  25           HB1      TYR  25 -21.261 -13.095   7.313
  205    HD1  TYR  25           HD1      TYR  25 -18.738 -10.529   8.242
  206    HD2  TYR  25           HD2      TYR  25 -21.668 -11.776   5.374
  207    HE1  TYR  25           HE1      TYR  25 -17.961  -8.761   6.690
  208    HE2  TYR  25           HE2      TYR  25 -20.903 -10.004   3.817
  209    HH   TYR  25           HH       TYR  25 -17.993  -8.214   4.376
  210    H    GLN  26           HN       GLN  26 -22.321  -9.325   8.362
  211    HA   GLN  26           HA       GLN  26 -20.041  -7.914   9.151
  212    HB2  GLN  26           HB2      GLN  26 -21.374  -5.935   8.947
  213    HB3  GLN  26           HB1      GLN  26 -21.973  -7.067   7.735
  214    HG2  GLN  26           HG2      GLN  26 -23.675  -7.809   9.526
  215    HG3  GLN  26           HG1      GLN  26 -23.209  -6.353  10.396
  216   HE21  GLN  26          HE21      GLN  26 -25.614  -5.820   9.935
  217   HE22  GLN  26          HE22      GLN  26 -25.960  -5.053   8.461
  218    H    GLY  27           HN       GLY  27 -22.553  -9.327  11.025
  219    HA2  GLY  27           HA2      GLY  27 -22.666  -7.747  13.301
  220    HA3  GLY  27           HA1      GLY  27 -22.844  -9.499  13.306
  221    H    ILE  28           HN       ILE  28 -20.037  -9.615  12.087
  222    HA   ILE  28           HA       ILE  28 -18.634 -10.044  14.526
  223    HB   ILE  28           HB       ILE  28 -18.197 -11.260  12.374
  224   HG12  ILE  28          HG12      ILE  28 -15.751  -9.822  13.439
  225   HG13  ILE  28          HG11      ILE  28 -16.567 -11.114  14.319
  226   HG21  ILE  28          HG21      ILE  28 -18.286  -9.106  11.005
  227   HG22  ILE  28          HG22      ILE  28 -16.961 -10.204  10.619
  228   HG23  ILE  28          HG23      ILE  28 -16.661  -8.770  11.601
  229   HD11  ILE  28          HD11      ILE  28 -15.328 -11.326  11.561
  230   HD12  ILE  28          HD12      ILE  28 -16.242 -12.612  12.351
  231   HD13  ILE  28          HD13      ILE  28 -14.716 -12.060  13.042
  232    H    LEU  29           HN       LEU  29 -19.012  -7.319  12.413
  233    HA   LEU  29           HA       LEU  29 -16.735  -5.904  13.560
  234    HB2  LEU  29           HB2      LEU  29 -17.421  -5.786  11.098
  235    HB3  LEU  29           HB1      LEU  29 -18.779  -4.808  11.641
  236    HG   LEU  29           HG       LEU  29 -16.996  -3.373  12.880
  237   HD11  LEU  29          HD11      LEU  29 -15.292  -5.004  10.974
  238   HD12  LEU  29          HD12      LEU  29 -15.027  -4.701  12.685
  239   HD13  LEU  29          HD13      LEU  29 -14.801  -3.408  11.523
  240   HD21  LEU  29          HD21      LEU  29 -16.481  -2.143  10.703
  241   HD22  LEU  29          HD22      LEU  29 -18.189  -2.427  11.041
  242   HD23  LEU  29          HD23      LEU  29 -17.339  -3.442   9.876
  243    H    ASP  30           HN       ASP  30 -20.194  -6.065  13.827
  244    HA   ASP  30           HA       ASP  30 -20.688  -3.580  15.065
  245    HB2  ASP  30           HB2      ASP  30 -22.090  -6.251  15.258
  246    HB3  ASP  30           HB1      ASP  30 -22.690  -4.792  16.046
  247    H    GLN  31           HN       GLN  31 -19.764  -6.735  16.397
  248    HA   GLN  31           HA       GLN  31 -19.955  -6.012  19.133
  249    HB2  GLN  31           HB2      GLN  31 -18.335  -8.138  17.721
  250    HB3  GLN  31           HB1      GLN  31 -18.415  -7.985  19.483
  251    HG2  GLN  31           HG2      GLN  31 -20.872  -8.210  19.378
  252    HG3  GLN  31           HG1      GLN  31 -20.783  -8.393  17.626
  253   HE21  GLN  31          HE21      GLN  31 -21.242 -10.592  17.269
  254   HE22  GLN  31          HE22      GLN  31 -20.451 -11.872  18.056
  255    H    LEU  32           HN       LEU  32 -17.265  -5.924  16.816
  256    HA   LEU  32           HA       LEU  32 -15.250  -5.212  18.623
  257    HB2  LEU  32           HB2      LEU  32 -15.676  -4.750  15.672
  258    HB3  LEU  32           HB1      LEU  32 -14.254  -4.073  16.475
  259    HG   LEU  32           HG       LEU  32 -14.939  -6.996  16.864
  260   HD11  LEU  32          HD11      LEU  32 -14.907  -6.940  14.502
  261   HD12  LEU  32          HD12      LEU  32 -13.259  -7.376  14.937
  262   HD13  LEU  32          HD13      LEU  32 -13.636  -5.721  14.457
  263   HD21  LEU  32          HD21      LEU  32 -13.026  -5.419  17.991
  264   HD22  LEU  32          HD22      LEU  32 -12.147  -5.948  16.569
  265   HD23  LEU  32          HD23      LEU  32 -12.797  -7.135  17.696
  266    H    ASP  33           HN       ASP  33 -17.460  -3.179  16.741
  267    HA   ASP  33           HA       ASP  33 -16.390  -0.708  17.671
  268    HB2  ASP  33           HB2      ASP  33 -19.038  -1.444  16.421
  269    HB3  ASP  33           HB1      ASP  33 -18.593   0.209  16.838
  270    H    LEU  34           HN       LEU  34 -19.235  -2.628  18.609
  271    HA   LEU  34           HA       LEU  34 -20.097  -0.886  20.661
  272    HB2  LEU  34           HB2      LEU  34 -20.573  -3.834  20.199
  273    HB3  LEU  34           HB1      LEU  34 -21.383  -2.902  21.453
  274    HG   LEU  34           HG       LEU  34 -21.437  -2.131  18.520
  275   HD11  LEU  34          HD11      LEU  34 -23.604  -3.165  18.353
  276   HD12  LEU  34          HD12      LEU  34 -23.620  -3.541  20.074
  277   HD13  LEU  34          HD13      LEU  34 -22.503  -4.382  19.001
  278   HD21  LEU  34          HD21      LEU  34 -22.763  -1.114  21.038
  279   HD22  LEU  34          HD22      LEU  34 -23.620  -0.979  19.507
  280   HD23  LEU  34          HD23      LEU  34 -22.055  -0.210  19.704
  281    H    VAL  35           HN       VAL  35 -18.089  -3.788  20.726
  282    HA   VAL  35           HA       VAL  35 -17.774  -3.965  23.501
  283    HB   VAL  35           HB       VAL  35 -15.986  -4.818  21.220
  284   HG11  VAL  35          HG11      VAL  35 -15.596  -5.053  24.203
  285   HG12  VAL  35          HG12      VAL  35 -14.423  -4.607  22.965
  286   HG13  VAL  35          HG13      VAL  35 -14.944  -6.281  23.118
  287   HG21  VAL  35          HG21      VAL  35 -16.893  -6.997  21.657
  288   HG22  VAL  35          HG22      VAL  35 -18.280  -5.904  21.686
  289   HG23  VAL  35          HG23      VAL  35 -17.581  -6.468  23.186
  290    H    HIS  36           HN       HIS  36 -16.432  -1.759  21.217
  291    HA   HIS  36           HA       HIS  36 -14.135  -0.980  22.733
  292    HB2  HIS  36           HB2      HIS  36 -14.413  -0.571  20.278
  293    HB3  HIS  36           HB1      HIS  36 -15.653   0.622  20.661
  294    HD2  HIS  36           HD2      HIS  36 -14.653   3.136  21.258
  295    HE1  HIS  36           HE1      HIS  36 -10.612   2.029  21.773
  296    HE2  HIS  36           HE2      HIS  36 -12.222   3.991  21.683
  297    H    GLN  37           HN       GLN  37 -17.489   0.106  22.528
  298    HA   GLN  37           HA       GLN  37 -17.017   2.288  24.416
  299    HB2  GLN  37           HB2      GLN  37 -18.565   2.685  22.585
  300    HB3  GLN  37           HB1      GLN  37 -19.538   1.295  23.065
  301    HG2  GLN  37           HG2      GLN  37 -19.000   3.409  25.145
  302    HG3  GLN  37           HG1      GLN  37 -20.160   3.783  23.875
  303   HE21  GLN  37          HE21      GLN  37 -21.575   1.501  23.465
  304   HE22  GLN  37          HE22      GLN  37 -22.294   0.946  24.899
  305    H    ALA  38           HN       ALA  38 -17.707  -1.044  24.536
  306    HA   ALA  38           HA       ALA  38 -19.440  -1.088  26.801
  307    HB1  ALA  38           HB1      ALA  38 -18.802  -3.474  26.921
  308    HB2  ALA  38           HB2      ALA  38 -17.547  -3.187  25.714
  309    HB3  ALA  38           HB3      ALA  38 -19.246  -2.997  25.282
  310    H    LYS  39           HN       LYS  39 -18.929  -1.656  28.959
  311    HA   LYS  39           HA       LYS  39 -16.170  -1.679  29.812
  312    HB2  LYS  39           HB2      LYS  39 -16.567   0.733  29.596
  313    HB3  LYS  39           HB1      LYS  39 -17.994   0.598  30.621
  314    HG2  LYS  39           HG2      LYS  39 -16.092   1.385  31.946
  315    HG3  LYS  39           HG1      LYS  39 -16.546  -0.226  32.484
  316    HD2  LYS  39           HD2      LYS  39 -14.686  -1.246  31.474
  317    HD3  LYS  39           HD1      LYS  39 -14.433   0.092  30.349
  318    HE2  LYS  39           HE2      LYS  39 -14.054   0.265  33.348
  319    HE3  LYS  39           HE1      LYS  39 -12.749   0.002  32.190
  320    HZ1  LYS  39           HZ1      LYS  39 -13.909   2.425  32.952
  321    HZ2  LYS  39           HZ2      LYS  39 -14.298   2.169  31.318
  322    HZ3  LYS  39           HZ3      LYS  39 -12.675   2.168  31.819
  323    H    GLY  40           HN       GLY  40 -15.918  -2.629  31.802
  324    HA2  GLY  40           HA2      GLY  40 -16.728  -3.193  34.013
  325    HA3  GLY  40           HA1      GLY  40 -18.367  -3.239  33.370
  326    H    ARG  41           HN       ARG  41 -18.748  -5.341  34.083
  327    HA   ARG  41           HA       ARG  41 -17.030  -7.538  33.506
  328    HB2  ARG  41           HB2      ARG  41 -18.936  -8.924  34.212
  329    HB3  ARG  41           HB1      ARG  41 -18.650  -7.605  35.347
  330    HG2  ARG  41           HG2      ARG  41 -20.411  -6.275  34.166
  331    HG3  ARG  41           HG1      ARG  41 -20.746  -7.682  33.158
  332    HD2  ARG  41           HD2      ARG  41 -22.334  -7.660  34.991
  333    HD3  ARG  41           HD1      ARG  41 -21.213  -8.996  35.237
  334    HE   ARG  41           HE       ARG  41 -20.207  -6.725  36.573
  335   HH11  ARG  41          HH21      ARG  41 -22.840  -8.967  36.669
  336   HH12  ARG  41          HH22      ARG  41 -23.061  -8.848  38.383
  337   HH21  ARG  41          HH11      ARG  41 -20.489  -6.563  38.821
  338   HH22  ARG  41          HH12      ARG  41 -21.730  -7.486  39.601
  339    H    ASP  42           HN       ASP  42 -19.563  -5.918  31.761
  340    HA   ASP  42           HA       ASP  42 -20.166  -7.978  29.905
  341    HB2  ASP  42           HB2      ASP  42 -21.109  -6.148  28.532
  342    HB3  ASP  42           HB1      ASP  42 -21.651  -6.074  30.208
  343    H    GLN  43           HN       GLN  43 -17.726  -5.439  29.996
  344    HA   GLN  43           HA       GLN  43 -16.830  -5.707  27.314
  345    HB2  GLN  43           HB2      GLN  43 -16.336  -3.810  28.951
  346    HB3  GLN  43           HB1      GLN  43 -15.119  -4.870  29.657
  347    HG2  GLN  43           HG2      GLN  43 -13.982  -5.054  27.506
  348    HG3  GLN  43           HG1      GLN  43 -15.233  -4.083  26.733
  349   HE21  GLN  43          HE21      GLN  43 -13.104  -3.780  29.646
  350   HE22  GLN  43          HE22      GLN  43 -12.700  -2.159  29.346
  351    H    ILE  44           HN       ILE  44 -15.882  -7.288  30.317
  352    HA   ILE  44           HA       ILE  44 -13.655  -8.671  29.298
  353    HB   ILE  44           HB       ILE  44 -15.470  -9.285  31.620
  354   HG12  ILE  44          HG12      ILE  44 -12.631  -8.255  31.606
  355   HG13  ILE  44          HG11      ILE  44 -14.032  -7.175  31.602
  356   HG21  ILE  44          HG21      ILE  44 -13.478 -10.722  32.335
  357   HG22  ILE  44          HG22      ILE  44 -12.937 -10.611  30.661
  358   HG23  ILE  44          HG23      ILE  44 -14.483 -11.371  31.039
  359   HD11  ILE  44          HD11      ILE  44 -13.348  -7.488  33.901
  360   HD12  ILE  44          HD12      ILE  44 -13.323  -9.240  33.705
  361   HD13  ILE  44          HD13      ILE  44 -14.855  -8.370  33.666
  362    H    ALA  45           HN       ALA  45 -17.078  -9.529  29.591
  363    HA   ALA  45           HA       ALA  45 -16.933 -12.189  28.744
  364    HB1  ALA  45           HB1      ALA  45 -19.149 -10.193  28.215
  365    HB2  ALA  45           HB2      ALA  45 -18.969 -11.149  29.686
  366    HB3  ALA  45           HB3      ALA  45 -19.298 -11.948  28.147
  367    H    ALA  46           HN       ALA  46 -16.691  -9.214  26.946
  368    HA   ALA  46           HA       ALA  46 -17.304 -10.138  24.352
  369    HB1  ALA  46           HB1      ALA  46 -17.026  -7.734  25.040
  370    HB2  ALA  46           HB2      ALA  46 -16.175  -8.200  23.565
  371    HB3  ALA  46           HB3      ALA  46 -15.283  -8.016  25.066
  372    H    SER  47           HN       SER  47 -14.322 -10.135  26.252
  373    HA   SER  47           HA       SER  47 -12.602 -11.023  24.196
  374    HB2  SER  47           HB2      SER  47 -11.538 -10.217  26.121
  375    HB3  SER  47           HB1      SER  47 -12.500 -11.235  27.188
  376    HG   SER  47           HG       SER  47 -10.350 -11.910  25.494
  377    H    PHE  48           HN       PHE  48 -14.445 -12.843  26.617
  378    HA   PHE  48           HA       PHE  48 -13.556 -15.415  25.842
  379    HB2  PHE  48           HB2      PHE  48 -16.021 -14.437  27.285
  380    HB3  PHE  48           HB1      PHE  48 -15.740 -16.149  26.972
  381    HD1  PHE  48           HD2      PHE  48 -13.740 -17.287  27.922
  382    HD2  PHE  48           HD1      PHE  48 -14.754 -13.241  28.946
  383    HE1  PHE  48           HE2      PHE  48 -12.224 -17.405  29.881
  384    HE2  PHE  48           HE1      PHE  48 -13.238 -13.358  30.905
  385    HZ   PHE  48           HZ       PHE  48 -11.974 -15.440  31.373
  386    H    GLU  49           HN       GLU  49 -16.338 -13.453  24.846
  387    HA   GLU  49           HA       GLU  49 -17.508 -15.424  23.168
  388    HB2  GLU  49           HB2      GLU  49 -18.726 -13.435  24.014
  389    HB3  GLU  49           HB1      GLU  49 -17.724 -12.408  22.986
  390    HG2  GLU  49           HG2      GLU  49 -18.551 -13.525  20.985
  391    HG3  GLU  49           HG1      GLU  49 -19.467 -14.668  21.965
  392    H    LEU  50           HN       LEU  50 -15.466 -12.600  22.431
  393    HA   LEU  50           HA       LEU  50 -15.236 -13.109  19.661
  394    HB2  LEU  50           HB2      LEU  50 -13.447 -11.600  21.579
  395    HB3  LEU  50           HB1      LEU  50 -13.206 -11.624  19.834
  396    HG   LEU  50           HG       LEU  50 -15.803 -10.777  21.150
  397   HD11  LEU  50          HD11      LEU  50 -13.692  -8.969  19.966
  398   HD12  LEU  50          HD12      LEU  50 -13.809  -9.293  21.695
  399   HD13  LEU  50          HD13      LEU  50 -15.136  -8.492  20.854
  400   HD21  LEU  50          HD21      LEU  50 -15.844  -9.594  18.732
  401   HD22  LEU  50          HD22      LEU  50 -16.406 -11.241  18.960
  402   HD23  LEU  50          HD23      LEU  50 -14.793 -10.950  18.317
  403    H    ASN  51           HN       ASN  51 -13.315 -14.134  22.441
  404    HA   ASN  51           HA       ASN  51 -11.130 -15.231  21.090
  405    HB2  ASN  51           HB2      ASN  51 -11.118 -14.990  23.502
  406    HB3  ASN  51           HB1      ASN  51 -12.467 -16.115  23.660
  407   HD21  ASN  51          HD21      ASN  51 -11.361 -17.789  24.808
  408   HD22  ASN  51          HD22      ASN  51 -10.051 -18.644  24.150
  409    H    LYS  52           HN       LYS  52 -14.156 -16.824  22.110
  410    HA   LYS  52           HA       LYS  52 -13.547 -19.343  20.974
  411    HB2  LYS  52           HB2      LYS  52 -16.171 -18.022  21.655
  412    HB3  LYS  52           HB1      LYS  52 -16.046 -19.692  21.099
  413    HG2  LYS  52           HG2      LYS  52 -14.410 -20.089  23.003
  414    HG3  LYS  52           HG1      LYS  52 -14.841 -18.491  23.607
  415    HD2  LYS  52           HD2      LYS  52 -16.865 -20.679  23.062
  416    HD3  LYS  52           HD1      LYS  52 -16.153 -20.384  24.647
  417    HE2  LYS  52           HE2      LYS  52 -16.967 -17.953  24.372
  418    HE3  LYS  52           HE1      LYS  52 -17.949 -18.563  23.040
  419    HZ1  LYS  52           HZ1      LYS  52 -18.054 -19.367  25.883
  420    HZ2  LYS  52           HZ2      LYS  52 -18.810 -20.252  24.646
  421    HZ3  LYS  52           HZ3      LYS  52 -19.279 -18.649  24.956
  422    H    LYS  53           HN       LYS  53 -15.307 -16.530  19.729
  423    HA   LYS  53           HA       LYS  53 -16.112 -17.690  17.282
  424    HB2  LYS  53           HB2      LYS  53 -17.036 -15.591  18.216
  425    HB3  LYS  53           HB1      LYS  53 -15.513 -14.780  17.860
  426    HG2  LYS  53           HG2      LYS  53 -15.788 -15.359  15.452
  427    HG3  LYS  53           HG1      LYS  53 -17.338 -16.105  15.830
  428    HD2  LYS  53           HD2      LYS  53 -16.739 -13.234  16.570
  429    HD3  LYS  53           HD1      LYS  53 -17.362 -13.663  14.974
  430    HE2  LYS  53           HE2      LYS  53 -19.255 -14.885  16.182
  431    HE3  LYS  53           HE1      LYS  53 -18.693 -14.103  17.657
  432    HZ1  LYS  53           HZ1      LYS  53 -18.880 -12.197  15.608
  433    HZ2  LYS  53           HZ2      LYS  53 -19.731 -12.277  17.076
  434    HZ3  LYS  53           HZ3      LYS  53 -20.341 -13.054  15.695
  435    H    ILE  54           HN       ILE  54 -13.289 -15.694  18.124
  436    HA   ILE  54           HA       ILE  54 -12.160 -15.704  15.529
  437    HB   ILE  54           HB       ILE  54 -10.940 -15.250  18.260
  438   HG12  ILE  54          HG12      ILE  54 -11.529 -13.290  16.026
  439   HG13  ILE  54          HG11      ILE  54 -12.675 -13.630  17.323
  440   HG21  ILE  54          HG21      ILE  54  -9.127 -14.097  16.707
  441   HG22  ILE  54          HG22      ILE  54  -9.722 -15.240  15.502
  442   HG23  ILE  54          HG23      ILE  54  -9.045 -15.835  17.013
  443   HD11  ILE  54          HD11      ILE  54  -9.820 -12.787  17.867
  444   HD12  ILE  54          HD12      ILE  54 -11.179 -12.801  18.992
  445   HD13  ILE  54          HD13      ILE  54 -11.129 -11.619  17.684
  446    H    ASN  55           HN       ASN  55 -11.597 -17.720  18.393
  447    HA   ASN  55           HA       ASN  55  -9.514 -19.269  17.308
  448    HB2  ASN  55           HB2      ASN  55 -11.527 -19.766  19.498
  449    HB3  ASN  55           HB1      ASN  55 -10.326 -20.980  19.059
  450   HD21  ASN  55          HD21      ASN  55 -10.220 -19.858  21.634
  451   HD22  ASN  55          HD22      ASN  55  -8.863 -18.846  21.750
  452    H    ASP  56           HN       ASP  56 -13.027 -19.692  17.297
  453    HA   ASP  56           HA       ASP  56 -13.084 -22.250  16.109
  454    HB2  ASP  56           HB2      ASP  56 -15.080 -19.984  16.155
  455    HB3  ASP  56           HB1      ASP  56 -15.424 -21.540  15.401
  456    H    TYR  57           HN       TYR  57 -13.005 -18.999  14.739
  457    HA   TYR  57           HA       TYR  57 -13.501 -19.626  12.060
  458    HB2  TYR  57           HB2      TYR  57 -13.388 -17.317  12.970
  459    HB3  TYR  57           HB1      TYR  57 -11.640 -17.488  13.127
  460    HD1  TYR  57           HD1      TYR  57 -14.443 -17.570  10.667
  461    HD2  TYR  57           HD2      TYR  57 -10.207 -17.168  11.258
  462    HE1  TYR  57           HE1      TYR  57 -14.172 -16.932   8.286
  463    HE2  TYR  57           HE2      TYR  57  -9.937 -16.529   8.877
  464    HH   TYR  57           HH       TYR  57 -11.527 -15.443   7.074
  465    H    ILE  58           HN       ILE  58 -10.517 -19.758  13.945
  466    HA   ILE  58           HA       ILE  58  -8.726 -20.216  11.816
  467    HB   ILE  58           HB       ILE  58  -8.627 -21.069  14.716
  468   HG12  ILE  58          HG12      ILE  58  -7.128 -18.865  13.265
  469   HG13  ILE  58          HG11      ILE  58  -8.659 -18.591  14.109
  470   HG21  ILE  58          HG21      ILE  58  -6.577 -21.241  12.498
  471   HG22  ILE  58          HG22      ILE  58  -7.125 -22.528  13.570
  472   HG23  ILE  58          HG23      ILE  58  -6.117 -21.226  14.201
  473   HD11  ILE  58          HD11      ILE  58  -6.982 -18.046  15.699
  474   HD12  ILE  58          HD12      ILE  58  -6.006 -19.449  15.278
  475   HD13  ILE  58          HD13      ILE  58  -7.516 -19.659  16.161
  476    H    ALA  59           HN       ALA  59 -10.594 -22.452  13.849
  477    HA   ALA  59           HA       ALA  59  -9.549 -24.848  12.792
  478    HB1  ALA  59           HB1      ALA  59 -11.583 -25.900  13.712
  479    HB2  ALA  59           HB2      ALA  59 -12.287 -24.303  13.964
  480    HB3  ALA  59           HB3      ALA  59 -10.852 -24.785  14.868
  481    H    GLU  60           HN       GLU  60 -12.157 -22.729  11.741
  482    HA   GLU  60           HA       GLU  60 -13.162 -24.507   9.732
  483    HB2  GLU  60           HB2      GLU  60 -13.483 -21.516  10.092
  484    HB3  GLU  60           HB1      GLU  60 -14.384 -22.494   8.931
  485    HG2  GLU  60           HG2      GLU  60 -14.372 -22.966  11.925
  486    HG3  GLU  60           HG1      GLU  60 -15.643 -22.106  11.058
  487    H    HIS  61           HN       HIS  61 -10.921 -21.769   9.745
  488    HA   HIS  61           HA       HIS  61  -9.953 -22.621   7.074
  489    HB2  HIS  61           HB2      HIS  61 -10.274 -19.730   7.855
  490    HB3  HIS  61           HB1      HIS  61  -9.887 -20.399   6.270
  491    HD2  HIS  61           HD2      HIS  61 -12.216 -22.378   5.564
  492    HE1  HIS  61           HE1      HIS  61 -14.958 -19.557   7.096
  493    HE2  HIS  61           HE2      HIS  61 -14.717 -21.632   5.653
  494    HA   PRO  62           HA       PRO  62  -6.567 -21.904  10.218
  495    HB2  PRO  62           HB2      PRO  62  -5.491 -24.430  10.149
  496    HB3  PRO  62           HB1      PRO  62  -6.812 -23.968  11.240
  497    HG2  PRO  62           HG2      PRO  62  -6.922 -25.470   8.665
  498    HG3  PRO  62           HG1      PRO  62  -7.861 -25.709  10.150
  499    HD2  PRO  62           HD2      PRO  62  -8.831 -24.419   7.916
  500    HD3  PRO  62           HD1      PRO  62  -9.436 -24.127   9.556
  501    H    THR  63           HN       THR  63  -6.786 -23.212   7.015
  502    HA   THR  63           HA       THR  63  -3.944 -23.036   6.459
  503    HB   THR  63           HB       THR  63  -4.873 -24.697   5.136
  504    HG1  THR  63           HG1      THR  63  -4.591 -23.945   3.176
  505   HG21  THR  63          HG21      THR  63  -7.132 -24.363   4.004
  506   HG22  THR  63          HG22      THR  63  -7.302 -22.902   4.978
  507   HG23  THR  63          HG23      THR  63  -7.166 -24.476   5.764
  508    H    SER  64           HN       SER  64  -6.712 -20.978   6.286
  509    HA   SER  64           HA       SER  64  -5.791 -19.186   4.281
  510    HB2  SER  64           HB2      SER  64  -7.788 -18.940   6.527
  511    HB3  SER  64           HB1      SER  64  -7.420 -17.584   5.466
  512    HG   SER  64           HG       SER  64  -8.393 -20.152   4.738
  513    H    GLY  65           HN       GLY  65  -4.625 -17.304   4.427
  514    HA2  GLY  65           HA2      GLY  65  -2.864 -17.053   6.733
  515    HA3  GLY  65           HA1      GLY  65  -2.760 -16.142   5.230
  516    H    ARG  66           HN       ARG  66  -5.804 -15.689   5.638
  517    HA   ARG  66           HA       ARG  66  -5.580 -13.094   6.768
  518    HB2  ARG  66           HB2      ARG  66  -8.000 -14.798   6.135
  519    HB3  ARG  66           HB1      ARG  66  -8.085 -13.107   6.628
  520    HG2  ARG  66           HG2      ARG  66  -6.298 -13.866   4.316
  521    HG3  ARG  66           HG1      ARG  66  -8.035 -13.735   4.051
  522    HD2  ARG  66           HD2      ARG  66  -6.290 -11.555   5.238
  523    HD3  ARG  66           HD1      ARG  66  -6.880 -11.596   3.583
  524    HE   ARG  66           HE       ARG  66  -8.419 -10.945   5.960
  525   HH11  ARG  66          HH21      ARG  66  -8.425 -12.001   2.667
  526   HH12  ARG  66          HH22      ARG  66 -10.044 -11.469   2.353
  527   HH21  ARG  66          HH11      ARG  66 -10.543 -10.244   5.560
  528   HH22  ARG  66          HH12      ARG  66 -11.243 -10.474   3.992
  529    H    ASN  67           HN       ASN  67  -6.589 -16.205   8.034
  530    HA   ASN  67           HA       ASN  67  -7.767 -15.322  10.429
  531    HB2  ASN  67           HB2      ASN  67  -7.308 -17.608  11.256
  532    HB3  ASN  67           HB1      ASN  67  -8.003 -17.620   9.635
  533   HD21  ASN  67          HD21      ASN  67  -6.882 -19.864   9.627
  534   HD22  ASN  67          HD22      ASN  67  -5.256 -19.908   9.141
  535    H    GLN  68           HN       GLN  68  -4.495 -15.350   9.410
  536    HA   GLN  68           HA       GLN  68  -3.173 -15.605  11.897
  537    HB2  GLN  68           HB2      GLN  68  -2.357 -14.105   9.397
  538    HB3  GLN  68           HB1      GLN  68  -1.291 -14.456  10.753
  539    HG2  GLN  68           HG2      GLN  68  -1.644 -16.867  10.438
  540    HG3  GLN  68           HG1      GLN  68  -2.746 -16.540   9.102
  541   HE21  GLN  68          HE21      GLN  68  -0.817 -18.045   8.164
  542   HE22  GLN  68          HE22      GLN  68   0.429 -17.176   7.406
  543    H    ALA  69           HN       ALA  69  -4.532 -12.820  10.183
  544    HA   ALA  69           HA       ALA  69  -3.617 -10.933  12.186
  545    HB1  ALA  69           HB1      ALA  69  -5.052  -9.331  10.872
  546    HB2  ALA  69           HB2      ALA  69  -5.459 -10.672   9.802
  547    HB3  ALA  69           HB3      ALA  69  -3.789 -10.123   9.932
  548    H    LEU  70           HN       LEU  70  -6.353 -12.964  11.679
  549    HA   LEU  70           HA       LEU  70  -8.236 -11.459  13.191
  550    HB2  LEU  70           HB2      LEU  70  -8.767 -13.292  11.517
  551    HB3  LEU  70           HB1      LEU  70  -8.259 -14.443  12.745
  552    HG   LEU  70           HG       LEU  70  -9.924 -13.278  14.317
  553   HD11  LEU  70          HD11      LEU  70 -11.877 -12.273  12.886
  554   HD12  LEU  70          HD12      LEU  70 -10.630 -11.991  11.680
  555   HD13  LEU  70          HD13      LEU  70 -10.497 -11.260  13.275
  556   HD21  LEU  70          HD21      LEU  70 -11.070 -14.673  11.881
  557   HD22  LEU  70          HD22      LEU  70 -11.785 -14.615  13.491
  558   HD23  LEU  70          HD23      LEU  70 -10.289 -15.509  13.223
  559    H    THR  71           HN       THR  71  -6.012 -14.088  13.949
  560    HA   THR  71           HA       THR  71  -6.874 -14.513  16.612
  561    HB   THR  71           HB       THR  71  -5.567 -16.206  15.536
  562    HG1  THR  71           HG1      THR  71  -3.810 -15.016  17.389
  563   HG21  THR  71          HG21      THR  71  -3.088 -15.653  15.084
  564   HG22  THR  71          HG22      THR  71  -3.592 -13.964  15.142
  565   HG23  THR  71          HG23      THR  71  -4.285 -15.055  13.940
  566    H    GLN  72           HN       GLN  72  -4.978 -12.053  15.152
  567    HA   GLN  72           HA       GLN  72  -3.372 -11.273  17.333
  568    HB2  GLN  72           HB2      GLN  72  -4.513  -9.673  15.048
  569    HB3  GLN  72           HB1      GLN  72  -3.311  -9.056  16.172
  570    HG2  GLN  72           HG2      GLN  72  -2.936 -11.558  14.510
  571    HG3  GLN  72           HG1      GLN  72  -2.319  -9.975  14.046
  572   HE21  GLN  72          HE21      GLN  72  -1.132 -12.727  15.220
  573   HE22  GLN  72          HE22      GLN  72   0.010 -12.148  16.333
  574    H    LEU  73           HN       LEU  73  -6.721 -10.643  16.541
  575    HA   LEU  73           HA       LEU  73  -7.176  -8.477  18.257
  576    HB2  LEU  73           HB2      LEU  73  -8.898 -10.619  17.066
  577    HB3  LEU  73           HB1      LEU  73  -9.601  -9.553  18.282
  578    HG   LEU  73           HG       LEU  73  -8.060  -8.325  15.989
  579   HD11  LEU  73          HD11      LEU  73  -9.538  -9.765  14.788
  580   HD12  LEU  73          HD12      LEU  73 -10.299  -8.176  14.790
  581   HD13  LEU  73          HD13      LEU  73 -10.874  -9.430  15.889
  582   HD21  LEU  73          HD21      LEU  73  -8.856  -6.942  17.900
  583   HD22  LEU  73          HD22      LEU  73 -10.500  -7.484  17.590
  584   HD23  LEU  73          HD23      LEU  73  -9.663  -6.492  16.399
  585    H    LYS  74           HN       LYS  74  -7.229 -11.945  18.837
  586    HA   LYS  74           HA       LYS  74  -8.310 -11.919  21.423
  587    HB2  LYS  74           HB2      LYS  74  -7.959 -13.972  20.085
  588    HB3  LYS  74           HB1      LYS  74  -6.216 -13.803  20.302
  589    HG2  LYS  74           HG2      LYS  74  -6.488 -13.987  22.744
  590    HG3  LYS  74           HG1      LYS  74  -8.237 -14.107  22.547
  591    HD2  LYS  74           HD2      LYS  74  -7.923 -16.171  21.207
  592    HD3  LYS  74           HD1      LYS  74  -6.183 -16.052  21.459
  593    HE2  LYS  74           HE2      LYS  74  -8.155 -16.172  23.749
  594    HE3  LYS  74           HE1      LYS  74  -7.401 -17.611  23.061
  595    HZ1  LYS  74           HZ1      LYS  74  -5.959 -17.070  24.745
  596    HZ2  LYS  74           HZ2      LYS  74  -6.167 -15.395  24.551
  597    HZ3  LYS  74           HZ3      LYS  74  -5.233 -16.274  23.435
  598    H    GLU  75           HN       GLU  75  -4.926 -11.721  20.353
  599    HA   GLU  75           HA       GLU  75  -3.868 -11.509  22.993
  600    HB2  GLU  75           HB2      GLU  75  -2.644 -10.757  20.328
  601    HB3  GLU  75           HB1      GLU  75  -1.769 -10.889  21.854
  602    HG2  GLU  75           HG2      GLU  75  -3.362 -13.163  20.645
  603    HG3  GLU  75           HG1      GLU  75  -1.631 -12.946  20.392
  604    H    GLN  76           HN       GLN  76  -4.864  -9.191  20.553
  605    HA   GLN  76           HA       GLN  76  -3.758  -6.890  21.749
  606    HB2  GLN  76           HB2      GLN  76  -6.046  -7.319  19.848
  607    HB3  GLN  76           HB1      GLN  76  -5.615  -5.709  20.404
  608    HG2  GLN  76           HG2      GLN  76  -3.378  -5.943  19.516
  609    HG3  GLN  76           HG1      GLN  76  -3.672  -7.620  19.086
  610   HE21  GLN  76          HE21      GLN  76  -3.661  -4.492  17.818
  611   HE22  GLN  76          HE22      GLN  76  -4.647  -4.765  16.463
  612    H    VAL  77           HN       VAL  77  -6.914  -8.464  22.156
  613    HA   VAL  77           HA       VAL  77  -8.206  -6.559  23.588
  614    HB   VAL  77           HB       VAL  77  -8.865  -9.037  22.864
  615   HG11  VAL  77          HG11      VAL  77  -7.279  -9.970  24.600
  616   HG12  VAL  77          HG12      VAL  77  -8.903 -10.620  24.657
  617   HG13  VAL  77          HG13      VAL  77  -8.394  -9.403  25.819
  618   HG21  VAL  77          HG21      VAL  77 -10.006  -7.703  25.326
  619   HG22  VAL  77          HG22      VAL  77 -10.852  -8.878  24.326
  620   HG23  VAL  77          HG23      VAL  77 -10.436  -7.291  23.675
  621    H    THR  78           HN       THR  78  -5.848  -8.864  24.791
  622    HA   THR  78           HA       THR  78  -6.096  -8.147  27.519
  623    HB   THR  78           HB       THR  78  -3.786  -9.259  27.654
  624    HG1  THR  78           HG1      THR  78  -3.183 -10.352  25.784
  625   HG21  THR  78          HG21      THR  78  -5.626 -10.598  28.242
  626   HG22  THR  78          HG22      THR  78  -4.827 -11.528  26.973
  627   HG23  THR  78          HG23      THR  78  -6.276 -10.593  26.603
  628    H    SER  79           HN       SER  79  -4.064  -7.053  24.865
  629    HA   SER  79           HA       SER  79  -2.347  -5.412  26.421
  630    HB2  SER  79           HB2      SER  79  -3.090  -5.258  23.490
  631    HB3  SER  79           HB1      SER  79  -1.789  -4.343  24.247
  632    HG   SER  79           HG       SER  79  -1.795  -7.056  24.760
  633    H    ALA  80           HN       ALA  80  -5.407  -4.828  24.738
  634    HA   ALA  80           HA       ALA  80  -5.511  -2.054  24.904
  635    HB1  ALA  80           HB1      ALA  80  -7.956  -3.740  25.391
  636    HB2  ALA  80           HB2      ALA  80  -7.168  -3.761  23.816
  637    HB3  ALA  80           HB3      ALA  80  -7.815  -2.252  24.457
  638    H    LEU  81           HN       LEU  81  -6.858  -4.407  27.235
  639    HA   LEU  81           HA       LEU  81  -7.439  -2.372  29.182
  640    HB2  LEU  81           HB2      LEU  81  -7.262  -5.341  29.568
  641    HB3  LEU  81           HB1      LEU  81  -8.095  -4.201  30.611
  642    HG   LEU  81           HG       LEU  81  -8.770  -4.771  27.711
  643   HD11  LEU  81          HD11      LEU  81 -10.912  -5.654  28.825
  644   HD12  LEU  81          HD12      LEU  81  -9.999  -5.651  30.334
  645   HD13  LEU  81          HD13      LEU  81  -9.472  -6.656  28.986
  646   HD21  LEU  81          HD21      LEU  81  -9.835  -2.844  29.789
  647   HD22  LEU  81          HD22      LEU  81 -10.900  -3.450  28.522
  648   HD23  LEU  81          HD23      LEU  81  -9.453  -2.545  28.096
  649    H    GLY  82           HN       GLY  82  -4.778  -4.552  28.545
  650    HA2  GLY  82           HA2      GLY  82  -2.572  -4.261  29.273
  651    HA3  GLY  82           HA1      GLY  82  -3.123  -3.083  30.458
  652    H    LEU  83           HN       LEU  83  -3.837  -6.526  29.781
  653    HA   LEU  83           HA       LEU  83  -4.178  -7.193  32.517
  654    HB2  LEU  83           HB2      LEU  83  -3.846  -8.741  29.959
  655    HB3  LEU  83           HB1      LEU  83  -3.742  -9.613  31.484
  656    HG   LEU  83           HG       LEU  83  -6.060  -9.552  30.503
  657   HD11  LEU  83          HD11      LEU  83  -6.321  -7.967  33.030
  658   HD12  LEU  83          HD12      LEU  83  -5.327  -9.416  33.144
  659   HD13  LEU  83          HD13      LEU  83  -6.996  -9.535  32.604
  660   HD21  LEU  83          HD21      LEU  83  -5.702  -7.134  29.657
  661   HD22  LEU  83          HD22      LEU  83  -6.079  -6.637  31.307
  662   HD23  LEU  83          HD23      LEU  83  -7.269  -7.515  30.361
  663    H    GLU  84           HN       GLU  84  -1.437  -7.439  30.330
  664    HA   GLU  84           HA       GLU  84   0.790  -7.779  30.723
  665    HB2  GLU  84           HB2      GLU  84   0.220  -5.890  32.420
  666    HB3  GLU  84           HB1      GLU  84   0.296  -7.162  33.638
  667    HG2  GLU  84           HG2      GLU  84   2.587  -7.707  32.989
  668    HG3  GLU  84           HG1      GLU  84   2.520  -6.540  31.673
  669    H    HIS  85           HN       HIS  85  -1.007 -10.003  30.896
  670    HA   HIS  85           HA       HIS  85  -0.505 -11.661  33.127
  671    HB2  HIS  85           HB2      HIS  85  -2.330 -12.025  31.469
  672    HB3  HIS  85           HB1      HIS  85  -1.116 -12.518  30.289
  673    HD2  HIS  85           HD2      HIS  85  -2.891 -13.947  33.468
  674    HE1  HIS  85           HE1      HIS  85  -0.239 -16.904  32.037
  675    HE2  HIS  85           HE2      HIS  85  -2.103 -16.426  33.694
  676    H    HIS  86           HN       HIS  86   1.178 -11.237  30.049
  677    HA   HIS  86           HA       HIS  86   2.936 -13.401  30.231
  678    HB2  HIS  86           HB2      HIS  86   2.519 -11.532  28.349
  679    HB3  HIS  86           HB1      HIS  86   3.940 -10.801  29.089
  680    HD2  HIS  86           HD2      HIS  86   5.912 -13.273  29.541
  681    HE1  HIS  86           HE1      HIS  86   5.014 -14.489  25.606
  682    HE2  HIS  86           HE2      HIS  86   6.646 -14.761  27.532
  683    H    HIS  87           HN       HIS  87   4.866 -13.735  31.234
  684    HA   HIS  87           HA       HIS  87   5.444 -12.417  33.635
  685    HB2  HIS  87           HB2      HIS  87   6.227 -14.692  33.123
  686    HB3  HIS  87           HB1      HIS  87   7.307 -14.044  31.889
  687    HD2  HIS  87           HD2      HIS  87   7.108 -14.314  35.789
  688    HE1  HIS  87           HE1      HIS  87  10.757 -12.431  34.808
  689    HE2  HIS  87           HE2      HIS  87   9.397 -13.445  36.697
  690    H    HIS  88           HN       HIS  88   6.891 -12.053  30.407
  691    HA   HIS  88           HA       HIS  88   7.723  -9.339  31.108
  692    HB2  HIS  88           HB2      HIS  88   9.604 -11.026  31.670
  693    HB3  HIS  88           HB1      HIS  88   9.771 -11.218  29.926
  694    HD2  HIS  88           HD2      HIS  88  10.638  -8.626  32.693
  695    HE1  HIS  88           HE1      HIS  88  11.738  -6.923  28.991
  696    HE2  HIS  88           HE2      HIS  88  11.882  -6.658  31.512
  697    H    HIS  89           HN       HIS  89   7.661  -7.980  29.396
  698    HA   HIS  89           HA       HIS  89   6.405  -8.854  26.993
  699    HB2  HIS  89           HB2      HIS  89   6.201  -6.556  27.991
  700    HB3  HIS  89           HB1      HIS  89   7.856  -6.242  27.468
  701    HD2  HIS  89           HD2      HIS  89   4.849  -7.852  25.389
  702    HE1  HIS  89           HE1      HIS  89   6.540  -4.675  23.180
  703    HE2  HIS  89           HE2      HIS  89   4.783  -6.509  23.150
  704    H    HIS  90           HN       HIS  90   9.659  -7.479  27.559
  705    HA   HIS  90           HA       HIS  90  10.560  -8.725  25.021
  706    HB2  HIS  90           HB2      HIS  90  10.862  -6.262  25.287
  707    HB3  HIS  90           HB1      HIS  90  11.914  -6.576  26.669
  708    HD2  HIS  90           HD2      HIS  90  14.545  -7.085  25.964
  709    HE1  HIS  90           HE1      HIS  90  13.917  -7.803  21.851
  710    HE2  HIS  90           HE2      HIS  90  15.682  -7.566  23.663
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  -5.438   1.387  28.839
    2    H2   MET   1           HT2      MET   1  -3.939   1.632  29.603
    3    H3   MET   1           HT3      MET   1  -5.197   0.836  30.424
    4    HA   MET   1           HA       MET   1  -3.238  -0.222  28.641
    5    HB2  MET   1           HB2      MET   1  -5.323  -1.374  30.511
    6    HB3  MET   1           HB1      MET   1  -4.126  -2.353  29.664
    7    HG2  MET   1           HG2      MET   1  -2.317  -1.013  30.711
    8    HG3  MET   1           HG1      MET   1  -3.531  -0.097  31.602
    9    HE1  MET   1           HE1      MET   1  -4.899  -0.777  33.357
   10    HE2  MET   1           HE2      MET   1  -4.916  -2.305  34.228
   11    HE3  MET   1           HE3      MET   1  -5.710  -2.188  32.662
   12    H    GLY   2           HN       GLY   2  -5.694   1.146  27.485
   13    HA2  GLY   2           HA2      GLY   2  -7.312  -0.882  26.283
   14    HA3  GLY   2           HA1      GLY   2  -7.240   0.811  25.802
   15    H    GLN   3           HN       GLN   3  -5.649   1.484  24.290
   16    HA   GLN   3           HA       GLN   3  -4.660   1.202  22.211
   17    HB2  GLN   3           HB2      GLN   3  -2.789   0.901  23.819
   18    HB3  GLN   3           HB1      GLN   3  -3.089  -0.837  23.804
   19    HG2  GLN   3           HG2      GLN   3  -2.618  -0.950  21.420
   20    HG3  GLN   3           HG1      GLN   3  -2.456   0.804  21.336
   21   HE21  GLN   3          HE21      GLN   3  -0.291  -0.846  20.538
   22   HE22  GLN   3          HE22      GLN   3   0.967  -0.683  21.666
   23    H    ILE   4           HN       ILE   4  -6.328   0.312  20.970
   24    HA   ILE   4           HA       ILE   4  -6.060  -2.569  20.409
   25    HB   ILE   4           HB       ILE   4  -8.621  -1.097  20.820
   26   HG12  ILE   4          HG12      ILE   4  -7.554  -3.549  22.227
   27   HG13  ILE   4          HG11      ILE   4  -7.369  -1.916  22.863
   28   HG21  ILE   4          HG21      ILE   4  -8.012  -3.821  19.693
   29   HG22  ILE   4          HG22      ILE   4  -9.002  -2.548  18.978
   30   HG23  ILE   4          HG23      ILE   4  -9.587  -3.435  20.383
   31   HD11  ILE   4          HD11      ILE   4  -9.329  -2.955  23.875
   32   HD12  ILE   4          HD12      ILE   4  -9.989  -3.319  22.280
   33   HD13  ILE   4          HD13      ILE   4  -9.842  -1.644  22.813
   34    H    PHE   5           HN       PHE   5  -6.837  -3.191  18.297
   35    HA   PHE   5           HA       PHE   5  -6.089  -1.300  16.287
   36    HB2  PHE   5           HB2      PHE   5  -7.258  -4.084  16.203
   37    HB3  PHE   5           HB1      PHE   5  -6.945  -3.156  14.736
   38    HD1  PHE   5           HD1      PHE   5  -4.597  -2.301  14.296
   39    HD2  PHE   5           HD2      PHE   5  -5.484  -5.169  17.368
   40    HE1  PHE   5           HE1      PHE   5  -2.203  -2.941  14.389
   41    HE2  PHE   5           HE2      PHE   5  -3.090  -5.808  17.461
   42    HZ   PHE   5           HZ       PHE   5  -1.450  -4.694  15.972
   43    H    THR   6           HN       THR   6  -7.329  -0.140  14.890
   44    HA   THR   6           HA       THR   6 -10.034   0.427  15.694
   45    HB   THR   6           HB       THR   6  -8.677   1.373  13.172
   46    HG1  THR   6           HG1      THR   6  -8.539   3.082  15.241
   47   HG21  THR   6          HG21      THR   6 -10.762   2.595  15.000
   48   HG22  THR   6          HG22      THR   6 -11.080   1.861  13.428
   49   HG23  THR   6          HG23      THR   6 -10.119   3.337  13.533
   50    H    VAL   7           HN       VAL   7 -11.919   0.000  14.586
   51    HA   VAL   7           HA       VAL   7 -12.070  -2.432  13.162
   52    HB   VAL   7           HB       VAL   7 -14.157  -0.253  13.121
   53   HG11  VAL   7          HG11      VAL   7 -15.694  -2.026  12.762
   54   HG12  VAL   7          HG12      VAL   7 -14.529  -3.250  13.257
   55   HG13  VAL   7          HG13      VAL   7 -14.330  -2.419  11.716
   56   HG21  VAL   7          HG21      VAL   7 -13.400  -2.216  15.295
   57   HG22  VAL   7          HG22      VAL   7 -15.004  -1.489  15.204
   58   HG23  VAL   7          HG23      VAL   7 -13.584  -0.469  15.430
   59    H    GLN   8           HN       GLN   8 -12.140   0.946  12.105
   60    HA   GLN   8           HA       GLN   8 -12.778   0.627   9.431
   61    HB2  GLN   8           HB2      GLN   8 -10.856   2.561  10.740
   62    HB3  GLN   8           HB1      GLN   8 -11.385   2.690   9.062
   63    HG2  GLN   8           HG2      GLN   8 -13.719   2.858   9.784
   64    HG3  GLN   8           HG1      GLN   8 -13.232   2.658  11.466
   65   HE21  GLN   8          HE21      GLN   8 -14.415   5.033   9.750
   66   HE22  GLN   8          HE22      GLN   8 -13.445   6.342  10.226
   67    H    GLU   9           HN       GLU   9  -9.724   0.028  11.074
   68    HA   GLU   9           HA       GLU   9  -8.103  -0.222   8.759
   69    HB2  GLU   9           HB2      GLU   9  -7.217   0.066  11.064
   70    HB3  GLU   9           HB1      GLU   9  -7.757  -1.568  11.448
   71    HG2  GLU   9           HG2      GLU   9  -6.310  -2.490   9.704
   72    HG3  GLU   9           HG1      GLU   9  -5.812  -0.866   9.231
   73    H    LEU  10           HN       LEU  10  -9.991  -2.559  10.641
   74    HA   LEU  10           HA       LEU  10  -9.149  -4.866   9.216
   75    HB2  LEU  10           HB2      LEU  10 -11.453  -4.216  11.033
   76    HB3  LEU  10           HB1      LEU  10 -11.463  -5.734  10.135
   77    HG   LEU  10           HG       LEU  10  -9.253  -6.306  11.070
   78   HD11  LEU  10          HD11      LEU  10  -8.293  -4.129  11.412
   79   HD12  LEU  10          HD12      LEU  10  -8.441  -4.878  13.001
   80   HD13  LEU  10          HD13      LEU  10  -9.605  -3.656  12.491
   81   HD21  LEU  10          HD21      LEU  10 -11.085  -5.495  13.335
   82   HD22  LEU  10          HD22      LEU  10 -10.034  -6.908  13.232
   83   HD23  LEU  10          HD23      LEU  10 -11.487  -6.818  12.240
   84    H    LYS  11           HN       LYS  11 -11.788  -2.569   8.747
   85    HA   LYS  11           HA       LYS  11 -13.210  -3.981   6.783
   86    HB2  LYS  11           HB2      LYS  11 -12.872  -1.010   7.230
   87    HB3  LYS  11           HB1      LYS  11 -14.012  -1.702   6.075
   88    HG2  LYS  11           HG2      LYS  11 -15.077  -2.979   7.914
   89    HG3  LYS  11           HG1      LYS  11 -13.963  -2.233   9.061
   90    HD2  LYS  11           HD2      LYS  11 -14.826  -0.001   8.445
   91    HD3  LYS  11           HD1      LYS  11 -15.948  -0.752   7.310
   92    HE2  LYS  11           HE2      LYS  11 -16.987  -2.002   9.180
   93    HE3  LYS  11           HE1      LYS  11 -15.885  -1.212  10.308
   94    HZ1  LYS  11           HZ1      LYS  11 -17.184   0.686   8.642
   95    HZ2  LYS  11           HZ2      LYS  11 -17.153   0.587  10.337
   96    HZ3  LYS  11           HZ3      LYS  11 -18.323  -0.272   9.454
   97    H    GLU  12           HN       GLU  12 -10.475  -1.735   6.500
   98    HA   GLU  12           HA       GLU  12 -10.405  -1.670   3.667
   99    HB2  GLU  12           HB2      GLU  12  -8.208  -1.230   5.706
  100    HB3  GLU  12           HB1      GLU  12  -8.078  -0.843   3.991
  101    HG2  GLU  12           HG2      GLU  12 -10.190   0.290   5.846
  102    HG3  GLU  12           HG1      GLU  12  -8.712   1.132   5.389
  103    H    ARG  13           HN       ARG  13  -8.556  -3.593   6.025
  104    HA   ARG  13           HA       ARG  13  -7.172  -5.108   4.038
  105    HB2  ARG  13           HB2      ARG  13  -6.304  -4.789   6.334
  106    HB3  ARG  13           HB1      ARG  13  -7.633  -5.769   6.956
  107    HG2  ARG  13           HG2      ARG  13  -6.874  -7.695   5.669
  108    HG3  ARG  13           HG1      ARG  13  -5.607  -6.727   4.913
  109    HD2  ARG  13           HD2      ARG  13  -4.668  -8.050   6.750
  110    HD3  ARG  13           HD1      ARG  13  -4.599  -6.333   7.139
  111    HE   ARG  13           HE       ARG  13  -6.182  -6.683   8.824
  112   HH11  ARG  13          HH21      ARG  13  -5.834  -9.454   6.783
  113   HH12  ARG  13          HH22      ARG  13  -6.746 -10.502   7.815
  114   HH21  ARG  13          HH11      ARG  13  -7.377  -8.049  10.185
  115   HH22  ARG  13          HH12      ARG  13  -7.620  -9.706   9.744
  116    H    ALA  14           HN       ALA  14 -10.148  -5.534   5.842
  117    HA   ALA  14           HA       ALA  14 -10.573  -8.261   5.125
  118    HB1  ALA  14           HB1      ALA  14 -12.887  -7.859   5.911
  119    HB2  ALA  14           HB2      ALA  14 -12.532  -6.136   6.029
  120    HB3  ALA  14           HB3      ALA  14 -11.688  -7.284   7.067
  121    H    LYS  15           HN       LYS  15 -10.694  -5.414   3.337
  122    HA   LYS  15           HA       LYS  15 -12.912  -5.911   1.645
  123    HB2  LYS  15           HB2      LYS  15 -11.768  -3.721   1.795
  124    HB3  LYS  15           HB1      LYS  15 -10.358  -4.423   1.006
  125    HG2  LYS  15           HG2      LYS  15 -11.701  -4.941  -0.984
  126    HG3  LYS  15           HG1      LYS  15 -13.140  -4.297  -0.192
  127    HD2  LYS  15           HD2      LYS  15 -12.053  -2.085  -0.025
  128    HD3  LYS  15           HD1      LYS  15 -10.624  -2.731  -0.836
  129    HE2  LYS  15           HE2      LYS  15 -11.974  -3.269  -2.812
  130    HE3  LYS  15           HE1      LYS  15 -13.415  -2.651  -2.007
  131    HZ1  LYS  15           HZ1      LYS  15 -12.238  -0.491  -1.805
  132    HZ2  LYS  15           HZ2      LYS  15 -12.564  -0.947  -3.408
  133    HZ3  LYS  15           HZ3      LYS  15 -10.996  -1.115  -2.777
  134    H    VAL  16           HN       VAL  16  -9.439  -6.660   1.300
  135    HA   VAL  16           HA       VAL  16  -8.360  -7.825  -0.433
  136    HB   VAL  16           HB       VAL  16  -9.215 -10.310  -0.245
  137   HG11  VAL  16          HG11      VAL  16  -8.172 -10.421   2.084
  138   HG12  VAL  16          HG12      VAL  16  -8.051  -8.664   2.010
  139   HG13  VAL  16          HG13      VAL  16  -7.185  -9.655   0.839
  140   HG21  VAL  16          HG21      VAL  16 -11.438  -9.585   0.685
  141   HG22  VAL  16          HG22      VAL  16 -10.594  -9.016   2.121
  142   HG23  VAL  16          HG23      VAL  16 -10.587 -10.730   1.717
  143    H    PHE  17           HN       PHE  17 -10.893 -10.024  -0.959
  144    HA   PHE  17           HA       PHE  17 -11.442  -8.847  -3.625
  145    HB2  PHE  17           HB2      PHE  17 -11.471 -11.721  -2.681
  146    HB3  PHE  17           HB1      PHE  17 -12.021 -11.190  -4.272
  147    HD1  PHE  17           HD1      PHE  17 -10.435 -10.199  -5.891
  148    HD2  PHE  17           HD2      PHE  17  -9.117 -11.766  -2.115
  149    HE1  PHE  17           HE1      PHE  17  -8.096 -10.211  -6.713
  150    HE2  PHE  17           HE2      PHE  17  -6.777 -11.779  -2.938
  151    HZ   PHE  17           HZ       PHE  17  -6.267 -11.002  -5.237
  152    H    ALA  18           HN       ALA  18 -13.399  -8.026  -3.859
  153    HA   ALA  18           HA       ALA  18 -15.621  -7.545  -3.514
  154    HB1  ALA  18           HB1      ALA  18 -15.921  -9.699  -4.587
  155    HB2  ALA  18           HB2      ALA  18 -17.098  -9.530  -3.284
  156    HB3  ALA  18           HB3      ALA  18 -15.664 -10.532  -3.054
  157    H    LYS  19           HN       LYS  19 -17.500  -7.822  -1.903
  158    HA   LYS  19           HA       LYS  19 -16.369  -7.357   0.731
  159    HB2  LYS  19           HB2      LYS  19 -18.968  -6.756  -0.609
  160    HB3  LYS  19           HB1      LYS  19 -18.985  -6.897   1.146
  161    HG2  LYS  19           HG2      LYS  19 -18.582  -4.567   0.488
  162    HG3  LYS  19           HG1      LYS  19 -17.153  -5.229   1.284
  163    HD2  LYS  19           HD2      LYS  19 -16.084  -5.640  -0.859
  164    HD3  LYS  19           HD1      LYS  19 -17.543  -5.144  -1.720
  165    HE2  LYS  19           HE2      LYS  19 -16.044  -3.322   0.175
  166    HE3  LYS  19           HE1      LYS  19 -15.737  -3.369  -1.562
  167    HZ1  LYS  19           HZ1      LYS  19 -18.127  -2.457  -0.121
  168    HZ2  LYS  19           HZ2      LYS  19 -18.302  -3.088  -1.688
  169    HZ3  LYS  19           HZ3      LYS  19 -17.313  -1.733  -1.419
  170    HA   PRO  20           HA       PRO  20 -17.335 -11.181   2.710
  171    HB2  PRO  20           HB2      PRO  20 -19.050  -9.648   4.635
  172    HB3  PRO  20           HB1      PRO  20 -17.727 -10.783   4.966
  173    HG2  PRO  20           HG2      PRO  20 -17.421  -8.130   5.211
  174    HG3  PRO  20           HG1      PRO  20 -16.104  -9.186   4.663
  175    HD2  PRO  20           HD2      PRO  20 -17.746  -7.264   3.083
  176    HD3  PRO  20           HD1      PRO  20 -16.091  -7.848   2.808
  177    H    ILE  21           HN       ILE  21 -18.844 -12.738   2.468
  178    HA   ILE  21           HA       ILE  21 -21.311 -12.112   1.113
  179    HB   ILE  21           HB       ILE  21 -21.555 -14.469   0.820
  180   HG12  ILE  21          HG12      ILE  21 -21.117 -15.231   3.124
  181   HG13  ILE  21          HG11      ILE  21 -20.106 -16.112   1.992
  182   HG21  ILE  21          HG21      ILE  21 -18.621 -13.716   0.746
  183   HG22  ILE  21          HG22      ILE  21 -19.792 -13.488  -0.551
  184   HG23  ILE  21          HG23      ILE  21 -19.318 -15.116  -0.066
  185   HD11  ILE  21          HD11      ILE  21 -19.279 -13.881   3.859
  186   HD12  ILE  21          HD12      ILE  21 -18.273 -14.382   2.504
  187   HD13  ILE  21          HD13      ILE  21 -18.659 -15.520   3.781
  188    H    GLY  22           HN       GLY  22 -23.381 -12.300   1.895
  189    HA2  GLY  22           HA2      GLY  22 -25.092 -12.653   3.424
  190    HA3  GLY  22           HA1      GLY  22 -23.930 -13.438   4.487
  191    H    ALA  23           HN       ALA  23 -22.176 -10.960   4.120
  192    HA   ALA  23           HA       ALA  23 -21.697  -9.108   5.396
  193    HB1  ALA  23           HB1      ALA  23 -23.513  -8.261   3.850
  194    HB2  ALA  23           HB2      ALA  23 -23.347  -7.374   5.365
  195    HB3  ALA  23           HB3      ALA  23 -24.655  -8.540   5.165
  196    H    SER  24           HN       SER  24 -23.268 -11.638   6.605
  197    HA   SER  24           HA       SER  24 -24.261 -10.519   9.089
  198    HB2  SER  24           HB2      SER  24 -23.961 -13.315   8.007
  199    HB3  SER  24           HB1      SER  24 -24.421 -13.019   9.682
  200    HG   SER  24           HG       SER  24 -25.938 -12.933   7.502
  201    H    TYR  25           HN       TYR  25 -21.261 -11.569   7.845
  202    HA   TYR  25           HA       TYR  25 -20.079 -12.422  10.319
  203    HB2  TYR  25           HB2      TYR  25 -18.835 -11.606   7.685
  204    HB3  TYR  25           HB1      TYR  25 -17.945 -12.287   9.046
  205    HD1  TYR  25           HD2      TYR  25 -20.561 -12.959   6.512
  206    HD2  TYR  25           HD1      TYR  25 -18.085 -14.627   9.601
  207    HE1  TYR  25           HE2      TYR  25 -21.188 -15.245   5.781
  208    HE2  TYR  25           HE1      TYR  25 -18.713 -16.912   8.870
  209    HH   TYR  25           HH       TYR  25 -20.766 -17.429   6.014
  210    H    GLN  26           HN       GLN  26 -20.761  -9.394   8.894
  211    HA   GLN  26           HA       GLN  26 -18.684  -7.772   9.799
  212    HB2  GLN  26           HB2      GLN  26 -20.223  -5.929   9.597
  213    HB3  GLN  26           HB1      GLN  26 -20.589  -7.077   8.307
  214    HG2  GLN  26           HG2      GLN  26 -22.347  -8.074   9.852
  215    HG3  GLN  26           HG1      GLN  26 -22.087  -6.693  10.912
  216   HE21  GLN  26          HE21      GLN  26 -24.473  -6.281  10.334
  217   HE22  GLN  26          HE22      GLN  26 -24.788  -5.394   8.921
  218    H    GLY  27           HN       GLY  27 -20.985  -9.528  11.602
  219    HA2  GLY  27           HA2      GLY  27 -21.421  -7.962  13.861
  220    HA3  GLY  27           HA1      GLY  27 -21.346  -9.721  13.868
  221    H    ILE  28           HN       ILE  28 -18.570  -9.731  12.866
  222    HA   ILE  28           HA       ILE  28 -17.230  -9.690  15.382
  223    HB   ILE  28           HB       ILE  28 -16.663 -11.209  13.457
  224   HG12  ILE  28          HG12      ILE  28 -14.334  -9.508  14.394
  225   HG13  ILE  28          HG11      ILE  28 -15.129 -10.708  15.413
  226   HG21  ILE  28          HG21      ILE  28 -15.451 -10.399  11.587
  227   HG22  ILE  28          HG22      ILE  28 -15.139  -8.843  12.357
  228   HG23  ILE  28          HG23      ILE  28 -16.762  -9.240  11.794
  229   HD11  ILE  28          HD11      ILE  28 -13.219 -11.777  14.400
  230   HD12  ILE  28          HD12      ILE  28 -13.682 -11.200  12.799
  231   HD13  ILE  28          HD13      ILE  28 -14.661 -12.419  13.615
  232    H    LEU  29           HN       LEU  29 -17.710  -7.359  12.869
  233    HA   LEU  29           HA       LEU  29 -15.521  -5.637  13.769
  234    HB2  LEU  29           HB2      LEU  29 -17.646  -5.201  11.654
  235    HB3  LEU  29           HB1      LEU  29 -16.250  -4.171  11.933
  236    HG   LEU  29           HG       LEU  29 -16.126  -7.088  11.173
  237   HD11  LEU  29          HD11      LEU  29 -15.458  -6.354   8.975
  238   HD12  LEU  29          HD12      LEU  29 -15.437  -4.670   9.496
  239   HD13  LEU  29          HD13      LEU  29 -16.968  -5.538   9.382
  240   HD21  LEU  29          HD21      LEU  29 -14.113  -6.733  12.294
  241   HD22  LEU  29          HD22      LEU  29 -14.041  -5.032  11.838
  242   HD23  LEU  29          HD23      LEU  29 -13.666  -6.278  10.655
  243    H    ASP  30           HN       ASP  30 -19.063  -5.683  13.725
  244    HA   ASP  30           HA       ASP  30 -19.443  -3.134  14.881
  245    HB2  ASP  30           HB2      ASP  30 -21.147  -5.622  14.814
  246    HB3  ASP  30           HB1      ASP  30 -21.687  -4.127  15.575
  247    H    GLN  31           HN       GLN  31 -18.896  -6.321  16.286
  248    HA   GLN  31           HA       GLN  31 -19.533  -5.681  18.953
  249    HB2  GLN  31           HB2      GLN  31 -19.211  -8.001  18.020
  250    HB3  GLN  31           HB1      GLN  31 -17.476  -7.698  18.032
  251    HG2  GLN  31           HG2      GLN  31 -18.056  -8.862  20.070
  252    HG3  GLN  31           HG1      GLN  31 -17.641  -7.201  20.486
  253   HE21  GLN  31          HE21      GLN  31 -19.013  -6.871  22.294
  254   HE22  GLN  31          HE22      GLN  31 -20.702  -7.019  22.225
  255    H    LEU  32           HN       LEU  32 -16.639  -5.185  17.038
  256    HA   LEU  32           HA       LEU  32 -14.820  -4.684  19.131
  257    HB2  LEU  32           HB2      LEU  32 -14.942  -3.661  16.295
  258    HB3  LEU  32           HB1      LEU  32 -13.594  -3.328  17.371
  259    HG   LEU  32           HG       LEU  32 -14.578  -6.119  16.691
  260   HD11  LEU  32          HD11      LEU  32 -12.805  -6.301  15.112
  261   HD12  LEU  32          HD12      LEU  32 -12.077  -4.784  15.639
  262   HD13  LEU  32          HD13      LEU  32 -13.599  -4.771  14.755
  263   HD21  LEU  32          HD21      LEU  32 -12.385  -5.008  18.417
  264   HD22  LEU  32          HD22      LEU  32 -12.055  -6.484  17.525
  265   HD23  LEU  32          HD23      LEU  32 -13.393  -6.435  18.658
  266    H    ASP  33           HN       ASP  33 -17.094  -2.574  17.438
  267    HA   ASP  33           HA       ASP  33 -16.250  -0.144  18.597
  268    HB2  ASP  33           HB2      ASP  33 -18.892  -1.069  17.471
  269    HB3  ASP  33           HB1      ASP  33 -18.652   0.568  18.082
  270    H    LEU  34           HN       LEU  34 -18.441  -2.663  19.702
  271    HA   LEU  34           HA       LEU  34 -19.529  -1.248  21.906
  272    HB2  LEU  34           HB2      LEU  34 -19.397  -4.115  21.054
  273    HB3  LEU  34           HB1      LEU  34 -19.811  -3.785  22.737
  274    HG   LEU  34           HG       LEU  34 -21.623  -2.259  21.961
  275   HD11  LEU  34          HD11      LEU  34 -20.648  -1.659  19.784
  276   HD12  LEU  34          HD12      LEU  34 -22.261  -2.337  19.572
  277   HD13  LEU  34          HD13      LEU  34 -20.839  -3.323  19.235
  278   HD21  LEU  34          HD21      LEU  34 -23.137  -4.027  21.271
  279   HD22  LEU  34          HD22      LEU  34 -22.002  -4.694  22.445
  280   HD23  LEU  34          HD23      LEU  34 -21.787  -5.022  20.725
  281    H    VAL  35           HN       VAL  35 -16.569  -3.048  21.457
  282    HA   VAL  35           HA       VAL  35 -15.885  -3.490  24.142
  283    HB   VAL  35           HB       VAL  35 -14.078  -2.939  21.781
  284   HG11  VAL  35          HG11      VAL  35 -12.754  -2.666  23.728
  285   HG12  VAL  35          HG12      VAL  35 -12.476  -4.333  23.222
  286   HG13  VAL  35          HG13      VAL  35 -13.570  -3.990  24.565
  287   HG21  VAL  35          HG21      VAL  35 -14.061  -5.284  21.424
  288   HG22  VAL  35          HG22      VAL  35 -15.757  -4.897  21.702
  289   HG23  VAL  35          HG23      VAL  35 -14.795  -5.610  22.993
  290    H    HIS  36           HN       HIS  36 -15.292  -0.697  22.031
  291    HA   HIS  36           HA       HIS  36 -13.785   0.760  23.976
  292    HB2  HIS  36           HB2      HIS  36 -13.598   1.195  21.555
  293    HB3  HIS  36           HB1      HIS  36 -15.270   1.756  21.532
  294    HD2  HIS  36           HD2      HIS  36 -15.362   4.495  21.796
  295    HE1  HIS  36           HE1      HIS  36 -11.843   5.014  24.069
  296    HE2  HIS  36           HE2      HIS  36 -13.785   6.218  22.963
  297    H    GLN  37           HN       GLN  37 -17.195   0.684  23.022
  298    HA   GLN  37           HA       GLN  37 -17.900   2.860  24.804
  299    HB2  GLN  37           HB2      GLN  37 -19.099   2.397  22.648
  300    HB3  GLN  37           HB1      GLN  37 -19.718   0.911  23.366
  301    HG2  GLN  37           HG2      GLN  37 -21.394   2.650  23.623
  302    HG3  GLN  37           HG1      GLN  37 -20.724   2.284  25.209
  303   HE21  GLN  37          HE21      GLN  37 -20.874   4.338  26.218
  304   HE22  GLN  37          HE22      GLN  37 -20.127   5.736  25.611
  305    H    ALA  38           HN       ALA  38 -17.714  -0.600  24.925
  306    HA   ALA  38           HA       ALA  38 -19.440  -0.938  27.199
  307    HB1  ALA  38           HB1      ALA  38 -19.143  -2.805  25.703
  308    HB2  ALA  38           HB2      ALA  38 -18.441  -3.228  27.263
  309    HB3  ALA  38           HB3      ALA  38 -17.393  -2.761  25.927
  310    H    LYS  39           HN       LYS  39 -18.725  -1.684  29.294
  311    HA   LYS  39           HA       LYS  39 -15.969  -1.242  30.059
  312    HB2  LYS  39           HB2      LYS  39 -18.053   0.789  30.498
  313    HB3  LYS  39           HB1      LYS  39 -17.226   0.341  31.984
  314    HG2  LYS  39           HG2      LYS  39 -15.696   1.040  29.472
  315    HG3  LYS  39           HG1      LYS  39 -16.216   2.274  30.610
  316    HD2  LYS  39           HD2      LYS  39 -15.036   1.018  32.430
  317    HD3  LYS  39           HD1      LYS  39 -14.418  -0.099  31.215
  318    HE2  LYS  39           HE2      LYS  39 -12.708   1.533  31.554
  319    HE3  LYS  39           HE1      LYS  39 -13.467   1.924  30.010
  320    HZ1  LYS  39           HZ1      LYS  39 -14.974   3.413  31.423
  321    HZ2  LYS  39           HZ2      LYS  39 -13.392   3.946  31.105
  322    HZ3  LYS  39           HZ3      LYS  39 -13.776   3.269  32.615
  323    H    GLY  40           HN       GLY  40 -15.421  -2.158  32.014
  324    HA2  GLY  40           HA2      GLY  40 -15.588  -3.576  33.814
  325    HA3  GLY  40           HA1      GLY  40 -17.289  -3.133  33.913
  326    H    ARG  41           HN       ARG  41 -18.472  -4.919  33.916
  327    HA   ARG  41           HA       ARG  41 -17.680  -7.424  32.898
  328    HB2  ARG  41           HB2      ARG  41 -20.532  -6.516  33.299
  329    HB3  ARG  41           HB1      ARG  41 -19.897  -8.155  33.389
  330    HG2  ARG  41           HG2      ARG  41 -19.746  -7.796  35.646
  331    HG3  ARG  41           HG1      ARG  41 -18.319  -6.838  35.266
  332    HD2  ARG  41           HD2      ARG  41 -19.695  -5.425  36.599
  333    HD3  ARG  41           HD1      ARG  41 -19.917  -4.860  34.944
  334    HE   ARG  41           HE       ARG  41 -21.862  -6.838  35.645
  335   HH11  ARG  41          HH21      ARG  41 -20.942  -3.524  35.997
  336   HH12  ARG  41          HH22      ARG  41 -22.560  -2.958  36.243
  337   HH21  ARG  41          HH11      ARG  41 -23.987  -6.106  35.962
  338   HH22  ARG  41          HH12      ARG  41 -24.285  -4.421  36.224
  339    H    ASP  42           HN       ASP  42 -19.485  -4.761  31.484
  340    HA   ASP  42           HA       ASP  42 -20.499  -6.107  29.224
  341    HB2  ASP  42           HB2      ASP  42 -19.788  -3.216  29.727
  342    HB3  ASP  42           HB1      ASP  42 -20.511  -3.767  28.216
  343    H    GLN  43           HN       GLN  43 -17.424  -4.427  29.797
  344    HA   GLN  43           HA       GLN  43 -16.454  -4.629  27.139
  345    HB2  GLN  43           HB2      GLN  43 -15.516  -3.075  28.788
  346    HB3  GLN  43           HB1      GLN  43 -14.898  -4.434  29.724
  347    HG2  GLN  43           HG2      GLN  43 -13.458  -5.107  27.899
  348    HG3  GLN  43           HG1      GLN  43 -14.181  -3.905  26.829
  349   HE21  GLN  43          HE21      GLN  43 -11.372  -3.895  27.345
  350   HE22  GLN  43          HE22      GLN  43 -10.997  -2.504  28.243
  351    H    ILE  44           HN       ILE  44 -16.132  -6.691  29.988
  352    HA   ILE  44           HA       ILE  44 -14.296  -8.543  28.892
  353    HB   ILE  44           HB       ILE  44 -16.355  -8.848  31.090
  354   HG12  ILE  44          HG12      ILE  44 -13.341  -8.585  31.249
  355   HG13  ILE  44          HG11      ILE  44 -14.431  -7.195  31.351
  356   HG21  ILE  44          HG21      ILE  44 -14.169 -10.696  30.101
  357   HG22  ILE  44          HG22      ILE  44 -15.878 -11.067  30.323
  358   HG23  ILE  44          HG23      ILE  44 -14.842 -10.814  31.727
  359   HD11  ILE  44          HD11      ILE  44 -15.457  -8.031  33.341
  360   HD12  ILE  44          HD12      ILE  44 -13.720  -8.219  33.582
  361   HD13  ILE  44          HD13      ILE  44 -14.707  -9.614  33.147
  362    H    ALA  45           HN       ALA  45 -17.841  -8.469  28.998
  363    HA   ALA  45           HA       ALA  45 -18.405 -10.982  27.967
  364    HB1  ALA  45           HB1      ALA  45 -20.500  -9.937  27.087
  365    HB2  ALA  45           HB2      ALA  45 -19.835  -8.355  27.496
  366    HB3  ALA  45           HB3      ALA  45 -20.170  -9.528  28.770
  367    H    ALA  46           HN       ALA  46 -17.623  -7.988  26.220
  368    HA   ALA  46           HA       ALA  46 -18.004  -8.990  23.605
  369    HB1  ALA  46           HB1      ALA  46 -17.794  -6.575  24.211
  370    HB2  ALA  46           HB2      ALA  46 -16.737  -7.057  22.884
  371    HB3  ALA  46           HB3      ALA  46 -16.076  -6.840  24.505
  372    H    SER  47           HN       SER  47 -15.214  -8.934  25.780
  373    HA   SER  47           HA       SER  47 -13.312  -9.877  23.943
  374    HB2  SER  47           HB2      SER  47 -13.426 -10.216  26.942
  375    HB3  SER  47           HB1      SER  47 -12.016 -10.565  25.947
  376    HG   SER  47           HG       SER  47 -13.357  -8.065  25.974
  377    H    PHE  48           HN       PHE  48 -15.451 -11.597  26.175
  378    HA   PHE  48           HA       PHE  48 -14.475 -14.194  25.692
  379    HB2  PHE  48           HB2      PHE  48 -15.937 -13.692  27.582
  380    HB3  PHE  48           HB1      PHE  48 -17.253 -13.283  26.481
  381    HD1  PHE  48           HD2      PHE  48 -14.973 -16.063  27.495
  382    HD2  PHE  48           HD1      PHE  48 -18.673 -14.965  25.608
  383    HE1  PHE  48           HE2      PHE  48 -15.631 -18.452  27.394
  384    HE2  PHE  48           HE1      PHE  48 -19.329 -17.354  25.507
  385    HZ   PHE  48           HZ       PHE  48 -17.809 -19.097  26.399
  386    H    GLU  49           HN       GLU  49 -17.134 -12.374  24.180
  387    HA   GLU  49           HA       GLU  49 -17.857 -14.455  22.369
  388    HB2  GLU  49           HB2      GLU  49 -19.321 -12.518  23.065
  389    HB3  GLU  49           HB1      GLU  49 -18.341 -11.490  22.019
  390    HG2  GLU  49           HG2      GLU  49 -20.233 -12.189  20.717
  391    HG3  GLU  49           HG1      GLU  49 -18.848 -13.111  20.135
  392    H    LEU  50           HN       LEU  50 -15.805 -11.578  22.111
  393    HA   LEU  50           HA       LEU  50 -15.210 -11.798  19.364
  394    HB2  LEU  50           HB2      LEU  50 -13.801 -10.512  21.695
  395    HB3  LEU  50           HB1      LEU  50 -13.096 -10.480  20.082
  396    HG   LEU  50           HG       LEU  50 -15.925  -9.574  20.658
  397   HD11  LEU  50          HD11      LEU  50 -13.366  -7.951  20.613
  398   HD12  LEU  50          HD12      LEU  50 -14.470  -8.163  21.972
  399   HD13  LEU  50          HD13      LEU  50 -14.985  -7.251  20.555
  400   HD21  LEU  50          HD21      LEU  50 -15.240  -8.179  18.485
  401   HD22  LEU  50          HD22      LEU  50 -15.819  -9.832  18.341
  402   HD23  LEU  50          HD23      LEU  50 -14.091  -9.495  18.269
  403    H    ASN  51           HN       ASN  51 -13.688 -13.185  22.229
  404    HA   ASN  51           HA       ASN  51 -11.385 -14.222  21.024
  405    HB2  ASN  51           HB2      ASN  51 -13.038 -15.130  23.382
  406    HB3  ASN  51           HB1      ASN  51 -11.556 -15.958  22.903
  407   HD21  ASN  51          HD21      ASN  51 -11.654 -14.693  25.422
  408   HD22  ASN  51          HD22      ASN  51 -10.652 -13.323  25.398
  409    H    LYS  52           HN       LYS  52 -14.648 -15.589  21.342
  410    HA   LYS  52           HA       LYS  52 -14.066 -18.124  20.230
  411    HB2  LYS  52           HB2      LYS  52 -16.653 -16.551  20.263
  412    HB3  LYS  52           HB1      LYS  52 -16.519 -18.260  19.851
  413    HG2  LYS  52           HG2      LYS  52 -15.539 -17.093  22.468
  414    HG3  LYS  52           HG1      LYS  52 -17.152 -17.762  22.265
  415    HD2  LYS  52           HD2      LYS  52 -16.306 -19.830  22.712
  416    HD3  LYS  52           HD1      LYS  52 -15.377 -19.747  21.225
  417    HE2  LYS  52           HE2      LYS  52 -13.581 -18.530  22.494
  418    HE3  LYS  52           HE1      LYS  52 -14.500 -18.818  23.972
  419    HZ1  LYS  52           HZ1      LYS  52 -14.089 -21.156  22.327
  420    HZ2  LYS  52           HZ2      LYS  52 -13.934 -20.966  24.008
  421    HZ3  LYS  52           HZ3      LYS  52 -12.667 -20.500  22.976
  422    H    LYS  53           HN       LYS  53 -15.261 -15.113  18.790
  423    HA   LYS  53           HA       LYS  53 -15.556 -16.107  16.161
  424    HB2  LYS  53           HB2      LYS  53 -15.132 -13.319  17.241
  425    HB3  LYS  53           HB1      LYS  53 -15.380 -13.648  15.529
  426    HG2  LYS  53           HG2      LYS  53 -17.525 -14.740  16.051
  427    HG3  LYS  53           HG1      LYS  53 -17.274 -14.405  17.766
  428    HD2  LYS  53           HD2      LYS  53 -17.173 -11.974  17.248
  429    HD3  LYS  53           HD1      LYS  53 -17.524 -12.341  15.558
  430    HE2  LYS  53           HE2      LYS  53 -19.302 -13.186  17.845
  431    HE3  LYS  53           HE1      LYS  53 -19.538 -11.694  16.942
  432    HZ1  LYS  53           HZ1      LYS  53 -20.156 -14.393  16.202
  433    HZ2  LYS  53           HZ2      LYS  53 -19.252 -13.587  15.011
  434    HZ3  LYS  53           HZ3      LYS  53 -20.727 -12.937  15.547
  435    H    ILE  54           HN       ILE  54 -12.855 -14.458  17.783
  436    HA   ILE  54           HA       ILE  54 -11.168 -14.370  15.500
  437    HB   ILE  54           HB       ILE  54 -10.540 -14.307  18.462
  438   HG12  ILE  54          HG12      ILE  54 -10.536 -12.062  16.429
  439   HG13  ILE  54          HG11      ILE  54 -11.953 -12.461  17.400
  440   HG21  ILE  54          HG21      ILE  54  -8.802 -13.899  16.016
  441   HG22  ILE  54          HG22      ILE  54  -8.514 -14.974  17.388
  442   HG23  ILE  54          HG23      ILE  54  -8.378 -13.223  17.589
  443   HD11  ILE  54          HD11      ILE  54 -10.712 -10.694  18.523
  444   HD12  ILE  54          HD12      ILE  54  -9.226 -11.640  18.440
  445   HD13  ILE  54          HD13      ILE  54 -10.558 -12.180  19.461
  446    H    ASN  55           HN       ASN  55 -11.378 -16.623  18.250
  447    HA   ASN  55           HA       ASN  55  -9.279 -18.321  17.401
  448    HB2  ASN  55           HB2      ASN  55 -10.109 -18.354  19.698
  449    HB3  ASN  55           HB1      ASN  55 -11.680 -18.928  19.142
  450   HD21  ASN  55          HD21      ASN  55  -8.302 -19.925  18.326
  451   HD22  ASN  55          HD22      ASN  55  -8.558 -21.568  18.669
  452    H    ASP  56           HN       ASP  56 -12.777 -18.385  16.869
  453    HA   ASP  56           HA       ASP  56 -12.892 -20.864  15.516
  454    HB2  ASP  56           HB2      ASP  56 -14.680 -18.432  15.480
  455    HB3  ASP  56           HB1      ASP  56 -15.049 -19.891  14.564
  456    H    TYR  57           HN       TYR  57 -12.338 -17.560  14.407
  457    HA   TYR  57           HA       TYR  57 -12.548 -17.960  11.650
  458    HB2  TYR  57           HB2      TYR  57 -12.288 -15.747  12.794
  459    HB3  TYR  57           HB1      TYR  57 -10.586 -16.130  13.048
  460    HD1  TYR  57           HD2      TYR  57 -13.190 -15.697  10.423
  461    HD2  TYR  57           HD1      TYR  57  -8.988 -15.841  11.304
  462    HE1  TYR  57           HE2      TYR  57 -12.683 -14.913   8.126
  463    HE2  TYR  57           HE1      TYR  57  -8.482 -15.055   9.005
  464    HH   TYR  57           HH       TYR  57 -11.099 -14.397   6.670
  465    H    ILE  58           HN       ILE  58  -9.781 -18.418  13.829
  466    HA   ILE  58           HA       ILE  58  -7.869 -19.043  11.846
  467    HB   ILE  58           HB       ILE  58  -8.069 -19.858  14.755
  468   HG12  ILE  58          HG12      ILE  58  -6.258 -17.834  13.413
  469   HG13  ILE  58          HG11      ILE  58  -7.827 -17.402  14.112
  470   HG21  ILE  58          HG21      ILE  58  -5.546 -20.243  14.423
  471   HG22  ILE  58          HG22      ILE  58  -5.896 -20.279  12.694
  472   HG23  ILE  58          HG23      ILE  58  -6.626 -21.474  13.767
  473   HD11  ILE  58          HD11      ILE  58  -5.584 -18.771  15.629
  474   HD12  ILE  58          HD12      ILE  58  -7.114 -18.209  16.301
  475   HD13  ILE  58          HD13      ILE  58  -5.933 -17.044  15.702
  476    H    ALA  59           HN       ALA  59 -10.063 -21.094  13.749
  477    HA   ALA  59           HA       ALA  59  -9.156 -23.577  12.751
  478    HB1  ALA  59           HB1      ALA  59 -11.922 -22.845  13.742
  479    HB2  ALA  59           HB2      ALA  59 -10.574 -23.345  14.764
  480    HB3  ALA  59           HB3      ALA  59 -11.264 -24.475  13.600
  481    H    GLU  60           HN       GLU  60 -11.561 -21.277  11.590
  482    HA   GLU  60           HA       GLU  60 -12.596 -22.965   9.527
  483    HB2  GLU  60           HB2      GLU  60 -12.714 -19.977   9.961
  484    HB3  GLU  60           HB1      GLU  60 -13.542 -20.806   8.642
  485    HG2  GLU  60           HG2      GLU  60 -14.792 -22.170  10.237
  486    HG3  GLU  60           HG1      GLU  60 -13.920 -21.441  11.581
  487    H    HIS  61           HN       HIS  61 -10.121 -20.433   9.657
  488    HA   HIS  61           HA       HIS  61  -9.091 -21.366   7.045
  489    HB2  HIS  61           HB2      HIS  61  -9.288 -18.449   7.794
  490    HB3  HIS  61           HB1      HIS  61  -8.812 -19.139   6.241
  491    HD2  HIS  61           HD2      HIS  61 -11.996 -17.898   7.934
  492    HE1  HIS  61           HE1      HIS  61 -13.274 -20.363   4.754
  493    HE2  HIS  61           HE2      HIS  61 -14.026 -18.657   6.478
  494    HA   PRO  62           HA       PRO  62  -5.834 -20.842  10.365
  495    HB2  PRO  62           HB2      PRO  62  -4.900 -23.420  10.347
  496    HB3  PRO  62           HB1      PRO  62  -6.253 -22.887  11.362
  497    HG2  PRO  62           HG2      PRO  62  -6.298 -24.379   8.782
  498    HG3  PRO  62           HG1      PRO  62  -7.327 -24.568  10.212
  499    HD2  PRO  62           HD2      PRO  62  -8.107 -23.221   7.933
  500    HD3  PRO  62           HD1      PRO  62  -8.781 -22.894   9.540
  501    H    THR  63           HN       THR  63  -5.929 -22.197   7.162
  502    HA   THR  63           HA       THR  63  -3.074 -22.163   6.744
  503    HB   THR  63           HB       THR  63  -3.642 -22.691   4.415
  504    HG1  THR  63           HG1      THR  63  -6.308 -22.939   4.812
  505   HG21  THR  63          HG21      THR  63  -5.485 -24.253   6.226
  506   HG22  THR  63          HG22      THR  63  -3.731 -24.414   6.311
  507   HG23  THR  63          HG23      THR  63  -4.585 -24.835   4.826
  508    H    SER  64           HN       SER  64  -5.692 -19.919   6.437
  509    HA   SER  64           HA       SER  64  -4.444 -18.151   4.566
  510    HB2  SER  64           HB2      SER  64  -6.736 -17.856   6.504
  511    HB3  SER  64           HB1      SER  64  -6.169 -16.508   5.522
  512    HG   SER  64           HG       SER  64  -6.374 -18.184   3.741
  513    H    GLY  65           HN       GLY  65  -3.260 -16.302   4.926
  514    HA2  GLY  65           HA2      GLY  65  -1.859 -16.156   7.483
  515    HA3  GLY  65           HA1      GLY  65  -1.469 -15.259   6.019
  516    H    ARG  66           HN       ARG  66  -4.615 -14.791   6.117
  517    HA   ARG  66           HA       ARG  66  -4.449 -12.124   7.084
  518    HB2  ARG  66           HB2      ARG  66  -6.889 -13.825   6.518
  519    HB3  ARG  66           HB1      ARG  66  -6.881 -12.074   6.714
  520    HG2  ARG  66           HG2      ARG  66  -5.133 -13.406   4.645
  521    HG3  ARG  66           HG1      ARG  66  -6.818 -13.035   4.298
  522    HD2  ARG  66           HD2      ARG  66  -6.388 -10.656   4.885
  523    HD3  ARG  66           HD1      ARG  66  -4.692 -11.036   5.139
  524    HE   ARG  66           HE       ARG  66  -6.073 -10.888   2.573
  525   HH11  ARG  66          HH21      ARG  66  -3.278 -11.834   4.388
  526   HH12  ARG  66          HH22      ARG  66  -2.225 -11.849   3.016
  527   HH21  ARG  66          HH11      ARG  66  -4.696 -10.908   0.773
  528   HH22  ARG  66          HH12      ARG  66  -3.027 -11.328   0.969
  529    H    ASN  67           HN       ASN  67  -5.596 -15.139   8.476
  530    HA   ASN  67           HA       ASN  67  -6.904 -14.119  10.732
  531    HB2  ASN  67           HB2      ASN  67  -6.658 -16.313  11.683
  532    HB3  ASN  67           HB1      ASN  67  -6.923 -16.510   9.953
  533   HD21  ASN  67          HD21      ASN  67  -5.597 -18.525  11.527
  534   HD22  ASN  67          HD22      ASN  67  -3.983 -18.612  11.010
  535    H    GLN  68           HN       GLN  68  -3.583 -14.121   9.913
  536    HA   GLN  68           HA       GLN  68  -2.344 -14.273  12.422
  537    HB2  GLN  68           HB2      GLN  68  -1.575 -12.682   9.966
  538    HB3  GLN  68           HB1      GLN  68  -0.526 -12.930  11.358
  539    HG2  GLN  68           HG2      GLN  68  -0.615 -15.354  11.038
  540    HG3  GLN  68           HG1      GLN  68  -1.734 -15.155   9.691
  541   HE21  GLN  68          HE21      GLN  68   0.318 -16.451   8.747
  542   HE22  GLN  68          HE22      GLN  68   1.486 -15.469   8.004
  543    H    ALA  69           HN       ALA  69  -3.607 -11.444  10.661
  544    HA   ALA  69           HA       ALA  69  -2.940  -9.584  12.739
  545    HB1  ALA  69           HB1      ALA  69  -4.071  -7.961  11.421
  546    HB2  ALA  69           HB2      ALA  69  -5.034  -9.188  10.600
  547    HB3  ALA  69           HB3      ALA  69  -3.307  -9.055  10.268
  548    H    LEU  70           HN       LEU  70  -5.802 -11.437  11.864
  549    HA   LEU  70           HA       LEU  70  -7.615 -10.153  13.600
  550    HB2  LEU  70           HB2      LEU  70  -8.077 -11.853  11.704
  551    HB3  LEU  70           HB1      LEU  70  -7.759 -13.083  12.923
  552    HG   LEU  70           HG       LEU  70  -9.478 -11.665  14.371
  553   HD11  LEU  70          HD11      LEU  70  -9.728  -9.821  12.765
  554   HD12  LEU  70          HD12      LEU  70 -11.253 -10.678  12.939
  555   HD13  LEU  70          HD13      LEU  70 -10.246 -10.955  11.520
  556   HD21  LEU  70          HD21      LEU  70 -11.307 -13.073  13.503
  557   HD22  LEU  70          HD22      LEU  70  -9.812 -13.998  13.633
  558   HD23  LEU  70          HD23      LEU  70 -10.360 -13.424  12.058
  559    H    THR  71           HN       THR  71  -5.380 -12.839  14.076
  560    HA   THR  71           HA       THR  71  -6.285 -13.653  16.618
  561    HB   THR  71           HB       THR  71  -3.444 -13.774  15.594
  562    HG1  THR  71           HG1      THR  71  -4.056 -15.622  14.566
  563   HG21  THR  71          HG21      THR  71  -3.307 -15.748  17.021
  564   HG22  THR  71          HG22      THR  71  -5.004 -15.573  17.466
  565   HG23  THR  71          HG23      THR  71  -3.828 -14.366  17.983
  566    H    GLN  72           HN       GLN  72  -4.333 -10.962  15.598
  567    HA   GLN  72           HA       GLN  72  -2.996 -10.400  18.017
  568    HB2  GLN  72           HB2      GLN  72  -3.938  -8.517  15.852
  569    HB3  GLN  72           HB1      GLN  72  -2.794  -8.106  17.121
  570    HG2  GLN  72           HG2      GLN  72  -2.389 -10.363  15.150
  571    HG3  GLN  72           HG1      GLN  72  -1.690  -8.757  14.963
  572   HE21  GLN  72          HE21      GLN  72  -0.562 -11.628  15.679
  573   HE22  GLN  72          HE22      GLN  72   0.471 -11.292  16.983
  574    H    LEU  73           HN       LEU  73  -6.267  -9.742  16.940
  575    HA   LEU  73           HA       LEU  73  -6.946  -7.745  18.814
  576    HB2  LEU  73           HB2      LEU  73  -8.512  -9.770  17.234
  577    HB3  LEU  73           HB1      LEU  73  -9.328  -8.792  18.448
  578    HG   LEU  73           HG       LEU  73  -8.525  -6.742  17.349
  579   HD11  LEU  73          HD11      LEU  73  -7.493  -7.055  15.030
  580   HD12  LEU  73          HD12      LEU  73  -7.210  -8.734  15.491
  581   HD13  LEU  73          HD13      LEU  73  -6.446  -7.428  16.399
  582   HD21  LEU  73          HD21      LEU  73 -10.652  -8.060  16.621
  583   HD22  LEU  73          HD22      LEU  73  -9.720  -8.485  15.189
  584   HD23  LEU  73          HD23      LEU  73 -10.057  -6.792  15.554
  585    H    LYS  74           HN       LYS  74  -7.055 -11.285  18.997
  586    HA   LYS  74           HA       LYS  74  -8.377 -11.501  21.464
  587    HB2  LYS  74           HB2      LYS  74  -7.931 -13.393  19.905
  588    HB3  LYS  74           HB1      LYS  74  -6.231 -13.330  20.376
  589    HG2  LYS  74           HG2      LYS  74  -6.809 -13.805  22.695
  590    HG3  LYS  74           HG1      LYS  74  -8.525 -13.739  22.309
  591    HD2  LYS  74           HD2      LYS  74  -7.860 -16.069  22.382
  592    HD3  LYS  74           HD1      LYS  74  -8.196 -15.634  20.708
  593    HE2  LYS  74           HE2      LYS  74  -5.380 -15.371  21.735
  594    HE3  LYS  74           HE1      LYS  74  -5.993 -16.966  21.309
  595    HZ1  LYS  74           HZ1      LYS  74  -6.677 -15.022  19.347
  596    HZ2  LYS  74           HZ2      LYS  74  -5.856 -16.497  19.163
  597    HZ3  LYS  74           HZ3      LYS  74  -4.999 -15.089  19.581
  598    H    GLU  75           HN       GLU  75  -4.910 -11.260  20.706
  599    HA   GLU  75           HA       GLU  75  -4.010 -11.445  23.396
  600    HB2  GLU  75           HB2      GLU  75  -2.721 -10.233  20.938
  601    HB3  GLU  75           HB1      GLU  75  -1.895 -10.475  22.478
  602    HG2  GLU  75           HG2      GLU  75  -3.235 -12.696  20.914
  603    HG3  GLU  75           HG1      GLU  75  -1.514 -12.330  20.823
  604    H    GLN  76           HN       GLN  76  -4.707  -8.676  21.274
  605    HA   GLN  76           HA       GLN  76  -3.909  -6.665  23.093
  606    HB2  GLN  76           HB2      GLN  76  -5.880  -6.634  20.799
  607    HB3  GLN  76           HB1      GLN  76  -5.394  -5.190  21.686
  608    HG2  GLN  76           HG2      GLN  76  -3.442  -7.057  20.317
  609    HG3  GLN  76           HG1      GLN  76  -4.071  -5.586  19.580
  610   HE21  GLN  76          HE21      GLN  76  -1.372  -6.660  21.095
  611   HE22  GLN  76          HE22      GLN  76  -0.889  -5.240  21.889
  612    H    VAL  77           HN       VAL  77  -7.166  -7.906  22.314
  613    HA   VAL  77           HA       VAL  77  -8.530  -6.410  24.272
  614    HB   VAL  77           HB       VAL  77  -9.213  -9.063  22.987
  615   HG11  VAL  77          HG11      VAL  77 -11.576  -8.347  23.699
  616   HG12  VAL  77          HG12      VAL  77 -10.782  -7.225  24.802
  617   HG13  VAL  77          HG13      VAL  77 -10.520  -8.962  24.971
  618   HG21  VAL  77          HG21      VAL  77  -8.966  -7.010  21.523
  619   HG22  VAL  77          HG22      VAL  77 -10.278  -6.278  22.445
  620   HG23  VAL  77          HG23      VAL  77 -10.574  -7.736  21.500
  621    H    THR  78           HN       THR  78  -7.222  -9.717  24.346
  622    HA   THR  78           HA       THR  78  -8.068 -10.388  26.941
  623    HB   THR  78           HB       THR  78  -5.639 -11.325  25.395
  624    HG1  THR  78           HG1      THR  78  -8.327 -11.861  25.343
  625   HG21  THR  78          HG21      THR  78  -6.946 -12.294  27.940
  626   HG22  THR  78          HG22      THR  78  -5.249 -11.897  27.667
  627   HG23  THR  78          HG23      THR  78  -5.942 -13.346  26.941
  628    H    SER  79           HN       SER  79  -5.061  -8.895  25.790
  629    HA   SER  79           HA       SER  79  -3.777  -8.756  28.307
  630    HB2  SER  79           HB2      SER  79  -2.334  -7.063  27.228
  631    HB3  SER  79           HB1      SER  79  -2.548  -8.486  26.211
  632    HG   SER  79           HG       SER  79  -3.630  -7.321  24.816
  633    H    ALA  80           HN       ALA  80  -6.104  -6.684  26.692
  634    HA   ALA  80           HA       ALA  80  -5.824  -4.376  28.265
  635    HB1  ALA  80           HB1      ALA  80  -7.902  -3.685  27.385
  636    HB2  ALA  80           HB2      ALA  80  -8.460  -5.346  27.182
  637    HB3  ALA  80           HB3      ALA  80  -7.202  -4.703  26.126
  638    H    LEU  81           HN       LEU  81  -7.703  -7.321  28.767
  639    HA   LEU  81           HA       LEU  81  -9.109  -6.429  31.065
  640    HB2  LEU  81           HB2      LEU  81  -8.331  -9.259  30.334
  641    HB3  LEU  81           HB1      LEU  81  -9.642  -8.769  31.410
  642    HG   LEU  81           HG       LEU  81  -9.443  -8.059  28.469
  643   HD11  LEU  81          HD11      LEU  81 -11.451  -9.623  28.332
  644   HD12  LEU  81          HD12      LEU  81 -11.053 -10.148  29.968
  645   HD13  LEU  81          HD13      LEU  81  -9.908 -10.413  28.653
  646   HD21  LEU  81          HD21      LEU  81 -11.407  -7.405  30.665
  647   HD22  LEU  81          HD22      LEU  81 -11.972  -7.532  29.000
  648   HD23  LEU  81          HD23      LEU  81 -10.739  -6.348  29.421
  649    H    GLY  82           HN       GLY  82  -5.917  -7.767  30.571
  650    HA2  GLY  82           HA2      GLY  82  -4.100  -7.630  32.030
  651    HA3  GLY  82           HA1      GLY  82  -5.187  -7.083  33.303
  652    H    LEU  83           HN       LEU  83  -6.003  -9.916  31.477
  653    HA   LEU  83           HA       LEU  83  -6.172 -11.548  33.788
  654    HB2  LEU  83           HB2      LEU  83  -6.220 -12.175  30.838
  655    HB3  LEU  83           HB1      LEU  83  -6.435 -13.412  32.072
  656    HG   LEU  83           HG       LEU  83  -8.108 -10.889  31.991
  657   HD11  LEU  83          HD11      LEU  83  -8.631 -13.571  30.678
  658   HD12  LEU  83          HD12      LEU  83  -8.477 -12.008  29.876
  659   HD13  LEU  83          HD13      LEU  83  -9.863 -12.332  30.916
  660   HD21  LEU  83          HD21      LEU  83  -9.714 -12.591  33.182
  661   HD22  LEU  83          HD22      LEU  83  -8.393 -11.897  34.108
  662   HD23  LEU  83          HD23      LEU  83  -8.251 -13.529  33.460
  663    H    GLU  84           HN       GLU  84  -3.742 -11.237  31.246
  664    HA   GLU  84           HA       GLU  84  -1.986 -13.105  32.745
  665    HB2  GLU  84           HB2      GLU  84  -2.015 -12.284  29.833
  666    HB3  GLU  84           HB1      GLU  84  -0.729 -13.239  30.574
  667    HG2  GLU  84           HG2      GLU  84  -2.339 -14.972  31.203
  668    HG3  GLU  84           HG1      GLU  84  -3.663 -14.007  30.551
  669    H    HIS  85           HN       HIS  85  -0.920 -11.825  34.155
  670    HA   HIS  85           HA       HIS  85  -0.080  -9.171  33.644
  671    HB2  HIS  85           HB2      HIS  85  -0.337 -10.082  35.923
  672    HB3  HIS  85           HB1      HIS  85   1.020 -11.171  35.636
  673    HD2  HIS  85           HD2      HIS  85   1.519  -7.582  34.238
  674    HE1  HIS  85           HE1      HIS  85   3.723  -7.837  37.827
  675    HE2  HIS  85           HE2      HIS  85   3.277  -6.415  35.772
  676    H    HIS  86           HN       HIS  86   1.596 -12.295  33.458
  677    HA   HIS  86           HA       HIS  86   3.378 -11.307  31.423
  678    HB2  HIS  86           HB2      HIS  86   4.377 -11.776  34.233
  679    HB3  HIS  86           HB1      HIS  86   5.444 -11.931  32.837
  680    HD2  HIS  86           HD2      HIS  86   5.058  -9.383  31.101
  681    HE1  HIS  86           HE1      HIS  86   4.842  -7.066  34.623
  682    HE2  HIS  86           HE2      HIS  86   5.185  -6.979  32.108
  683    H    HIS  87           HN       HIS  87   1.508 -13.377  31.464
  684    HA   HIS  87           HA       HIS  87   2.521 -15.918  32.096
  685    HB2  HIS  87           HB2      HIS  87   0.157 -15.460  31.499
  686    HB3  HIS  87           HB1      HIS  87   0.653 -15.183  29.829
  687    HD2  HIS  87           HD2      HIS  87   0.127 -18.181  32.295
  688    HE1  HIS  87           HE1      HIS  87   1.225 -19.769  28.540
  689    HE2  HIS  87           HE2      HIS  87   0.394 -20.351  30.868
  690    H    HIS  88           HN       HIS  88   2.780 -13.986  29.129
  691    HA   HIS  88           HA       HIS  88   4.039 -15.868  27.492
  692    HB2  HIS  88           HB2      HIS  88   3.186 -13.652  26.734
  693    HB3  HIS  88           HB1      HIS  88   4.550 -12.884  27.548
  694    HD2  HIS  88           HD2      HIS  88   6.676 -12.565  25.826
  695    HE1  HIS  88           HE1      HIS  88   5.822 -15.753  23.195
  696    HE2  HIS  88           HE2      HIS  88   7.411 -13.829  23.663
  697    H    HIS  89           HN       HIS  89   6.298 -16.005  26.855
  698    HA   HIS  89           HA       HIS  89   8.030 -16.423  29.039
  699    HB2  HIS  89           HB2      HIS  89   8.255 -17.575  26.861
  700    HB3  HIS  89           HB1      HIS  89   8.753 -16.053  26.122
  701    HD2  HIS  89           HD2      HIS  89  10.279 -18.902  28.277
  702    HE1  HIS  89           HE1      HIS  89  13.230 -15.907  27.896
  703    HE2  HIS  89           HE2      HIS  89  12.784 -18.282  28.676
  704    H    HIS  90           HN       HIS  90   7.829 -13.779  26.676
  705    HA   HIS  90           HA       HIS  90   8.733 -11.667  26.663
  706    HB2  HIS  90           HB2      HIS  90   7.381 -11.422  28.690
  707    HB3  HIS  90           HB1      HIS  90   8.687 -12.101  29.660
  708    HD2  HIS  90           HD2      HIS  90  10.579 -10.237  30.472
  709    HE1  HIS  90           HE1      HIS  90   9.359  -7.066  27.966
  710    HE2  HIS  90           HE2      HIS  90  10.930  -7.725  29.850
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  -4.093   5.891  19.992
    2    H2   MET   1           HT2      MET   1  -3.259   7.325  20.361
    3    H3   MET   1           HT3      MET   1  -2.445   5.834  20.392
    4    HA   MET   1           HA       MET   1  -3.665   6.993  17.950
    5    HB2  MET   1           HB2      MET   1  -1.820   8.412  18.842
    6    HB3  MET   1           HB1      MET   1  -0.761   7.002  18.826
    7    HG2  MET   1           HG2      MET   1  -1.002   6.788  16.412
    8    HG3  MET   1           HG1      MET   1  -2.184   8.096  16.383
    9    HE1  MET   1           HE1      MET   1   1.330   8.031  18.544
   10    HE2  MET   1           HE2      MET   1   2.304   8.236  17.090
   11    HE3  MET   1           HE3      MET   1   1.190   6.877  17.210
   12    H    GLY   2           HN       GLY   2  -4.392   5.022  17.192
   13    HA2  GLY   2           HA2      GLY   2  -4.095   3.132  15.864
   14    HA3  GLY   2           HA1      GLY   2  -2.363   3.222  16.169
   15    H    GLN   3           HN       GLN   3  -4.260   3.434  18.984
   16    HA   GLN   3           HA       GLN   3  -3.174   1.165  20.200
   17    HB2  GLN   3           HB2      GLN   3  -5.721   2.685  20.793
   18    HB3  GLN   3           HB1      GLN   3  -5.068   1.424  21.839
   19    HG2  GLN   3           HG2      GLN   3  -2.990   2.679  22.115
   20    HG3  GLN   3           HG1      GLN   3  -3.562   3.915  20.995
   21   HE21  GLN   3          HE21      GLN   3  -3.296   3.242  24.269
   22   HE22  GLN   3          HE22      GLN   3  -4.525   4.260  24.847
   23    H    ILE   4           HN       ILE   4  -6.663   1.244  20.069
   24    HA   ILE   4           HA       ILE   4  -6.707  -1.563  19.264
   25    HB   ILE   4           HB       ILE   4  -8.883   0.273  20.176
   26   HG12  ILE   4          HG12      ILE   4  -7.624  -2.073  21.609
   27   HG13  ILE   4          HG11      ILE   4  -7.072  -0.413  21.834
   28   HG21  ILE   4          HG21      ILE   4  -8.846  -2.654  19.435
   29   HG22  ILE   4          HG22      ILE   4  -9.911  -1.392  18.815
   30   HG23  ILE   4          HG23      ILE   4 -10.095  -1.966  20.473
   31   HD11  ILE   4          HD11      ILE   4  -9.848  -1.493  22.401
   32   HD12  ILE   4          HD12      ILE   4  -9.420   0.216  22.471
   33   HD13  ILE   4          HD13      ILE   4  -8.671  -0.927  23.585
   34    H    PHE   5           HN       PHE   5  -7.321  -2.288  17.312
   35    HA   PHE   5           HA       PHE   5  -7.533  -0.533  15.110
   36    HB2  PHE   5           HB2      PHE   5  -7.927  -3.462  15.566
   37    HB3  PHE   5           HB1      PHE   5  -8.601  -2.792  14.085
   38    HD1  PHE   5           HD2      PHE   5  -5.523  -1.767  15.942
   39    HD2  PHE   5           HD1      PHE   5  -7.151  -3.561  12.397
   40    HE1  PHE   5           HE2      PHE   5  -3.274  -1.760  14.908
   41    HE2  PHE   5           HE1      PHE   5  -4.901  -3.551  11.360
   42    HZ   PHE   5           HZ       PHE   5  -2.961  -2.651  12.616
   43    H    THR   6           HN       THR   6  -9.208   0.435  14.153
   44    HA   THR   6           HA       THR   6 -11.865   0.122  15.399
   45    HB   THR   6           HB       THR   6 -10.905   2.285  13.518
   46    HG1  THR   6           HG1      THR   6 -11.165   2.391  16.334
   47   HG21  THR   6          HG21      THR   6 -12.848   3.479  14.764
   48   HG22  THR   6          HG22      THR   6 -13.374   1.853  15.198
   49   HG23  THR   6          HG23      THR   6 -13.254   2.321  13.501
   50    H    VAL   7           HN       VAL   7 -13.731   0.413  13.865
   51    HA   VAL   7           HA       VAL   7 -13.749  -1.655  11.971
   52    HB   VAL   7           HB       VAL   7 -15.608   0.699  12.354
   53   HG11  VAL   7          HG11      VAL   7 -17.211  -0.833  11.044
   54   HG12  VAL   7          HG12      VAL   7 -15.767  -1.694  10.514
   55   HG13  VAL   7          HG13      VAL   7 -15.976   0.008  10.106
   56   HG21  VAL   7          HG21      VAL   7 -16.055  -2.218  13.013
   57   HG22  VAL   7          HG22      VAL   7 -16.964  -0.823  13.590
   58   HG23  VAL   7          HG23      VAL   7 -15.321  -1.104  14.166
   59    H    GLN   8           HN       GLN   8 -13.502   1.865  11.554
   60    HA   GLN   8           HA       GLN   8 -13.575   2.011   8.788
   61    HB2  GLN   8           HB2      GLN   8 -11.869   3.644  10.681
   62    HB3  GLN   8           HB1      GLN   8 -12.274   4.087   9.022
   63    HG2  GLN   8           HG2      GLN   8 -14.317   3.586  11.204
   64    HG3  GLN   8           HG1      GLN   8 -13.754   5.184  10.717
   65   HE21  GLN   8          HE21      GLN   8 -16.372   3.306  10.318
   66   HE22  GLN   8          HE22      GLN   8 -16.798   3.692   8.721
   67    H    GLU   9           HN       GLU   9 -10.856   1.235  10.912
   68    HA   GLU   9           HA       GLU   9  -8.895   1.162   8.835
   69    HB2  GLU   9           HB2      GLU   9  -8.335   1.459  11.227
   70    HB3  GLU   9           HB1      GLU   9  -8.857  -0.197  11.537
   71    HG2  GLU   9           HG2      GLU   9  -7.153  -1.046   9.982
   72    HG3  GLU   9           HG1      GLU   9  -6.650   0.604   9.617
   73    H    LEU  10           HN       LEU  10 -11.092  -1.189  10.229
   74    HA   LEU  10           HA       LEU  10  -9.892  -3.484   9.020
   75    HB2  LEU  10           HB2      LEU  10 -12.640  -3.030  10.195
   76    HB3  LEU  10           HB1      LEU  10 -12.048  -4.600   9.640
   77    HG   LEU  10           HG       LEU  10 -10.649  -2.896  11.725
   78   HD11  LEU  10          HD11      LEU  10 -12.667  -3.556  12.762
   79   HD12  LEU  10          HD12      LEU  10 -11.504  -4.781  13.269
   80   HD13  LEU  10          HD13      LEU  10 -12.646  -5.135  11.979
   81   HD21  LEU  10          HD21      LEU  10 -10.109  -5.584  10.481
   82   HD22  LEU  10          HD22      LEU  10  -9.691  -5.351  12.182
   83   HD23  LEU  10          HD23      LEU  10  -8.973  -4.317  10.951
   84    H    LYS  11           HN       LYS  11 -11.976  -1.020   7.877
   85    HA   LYS  11           HA       LYS  11 -13.425  -2.379   5.907
   86    HB2  LYS  11           HB2      LYS  11 -12.381   0.452   6.000
   87    HB3  LYS  11           HB1      LYS  11 -13.444  -0.139   4.723
   88    HG2  LYS  11           HG2      LYS  11 -15.099  -0.806   6.477
   89    HG3  LYS  11           HG1      LYS  11 -14.048  -0.083   7.691
   90    HD2  LYS  11           HD2      LYS  11 -14.226   2.099   6.555
   91    HD3  LYS  11           HD1      LYS  11 -15.289   1.377   5.348
   92    HE2  LYS  11           HE2      LYS  11 -16.910   0.796   7.112
   93    HE3  LYS  11           HE1      LYS  11 -15.852   1.517   8.324
   94    HZ1  LYS  11           HZ1      LYS  11 -17.547   3.078   7.669
   95    HZ2  LYS  11           HZ2      LYS  11 -17.111   2.926   6.034
   96    HZ3  LYS  11           HZ3      LYS  11 -16.034   3.634   7.140
   97    H    GLU  12           HN       GLU  12 -10.143  -1.059   5.856
   98    HA   GLU  12           HA       GLU  12  -9.640  -1.451   3.102
   99    HB2  GLU  12           HB2      GLU  12  -7.801  -1.346   5.498
  100    HB3  GLU  12           HB1      GLU  12  -7.219  -1.446   3.836
  101    HG2  GLU  12           HG2      GLU  12  -8.358   0.632   3.268
  102    HG3  GLU  12           HG1      GLU  12  -9.072   0.715   4.877
  103    H    ARG  13           HN       ARG  13  -9.203  -3.546   5.927
  104    HA   ARG  13           HA       ARG  13  -7.942  -5.675   4.498
  105    HB2  ARG  13           HB2      ARG  13  -9.349  -5.550   7.169
  106    HB3  ARG  13           HB1      ARG  13  -8.581  -7.011   6.550
  107    HG2  ARG  13           HG2      ARG  13  -6.428  -5.900   6.428
  108    HG3  ARG  13           HG1      ARG  13  -7.156  -4.355   6.872
  109    HD2  ARG  13           HD2      ARG  13  -6.097  -5.358   8.834
  110    HD3  ARG  13           HD1      ARG  13  -7.844  -5.327   9.048
  111    HE   ARG  13           HE       ARG  13  -7.001  -7.800   7.895
  112   HH11  ARG  13          HH21      ARG  13  -7.110  -5.970  10.830
  113   HH12  ARG  13          HH22      ARG  13  -7.136  -7.363  11.860
  114   HH21  ARG  13          HH11      ARG  13  -7.034  -9.630   9.238
  115   HH22  ARG  13          HH12      ARG  13  -7.093  -9.435  10.958
  116    H    ALA  14           HN       ALA  14 -11.274  -4.929   5.398
  117    HA   ALA  14           HA       ALA  14 -12.338  -7.406   4.402
  118    HB1  ALA  14           HB1      ALA  14 -14.480  -6.517   4.932
  119    HB2  ALA  14           HB2      ALA  14 -13.881  -4.859   4.894
  120    HB3  ALA  14           HB3      ALA  14 -13.392  -5.944   6.196
  121    H    LYS  15           HN       LYS  15 -11.177  -4.631   2.917
  122    HA   LYS  15           HA       LYS  15 -12.971  -4.203   0.806
  123    HB2  LYS  15           HB2      LYS  15 -11.045  -2.722   1.351
  124    HB3  LYS  15           HB1      LYS  15  -9.955  -3.953   0.716
  125    HG2  LYS  15           HG2      LYS  15 -11.039  -3.801  -1.484
  126    HG3  LYS  15           HG1      LYS  15 -12.162  -2.596  -0.852
  127    HD2  LYS  15           HD2      LYS  15 -10.267  -1.096  -0.340
  128    HD3  LYS  15           HD1      LYS  15  -9.148  -2.296  -0.990
  129    HE2  LYS  15           HE2      LYS  15 -10.238  -2.150  -3.181
  130    HE3  LYS  15           HE1      LYS  15 -11.388  -0.975  -2.541
  131    HZ1  LYS  15           HZ1      LYS  15  -8.943   0.029  -1.862
  132    HZ2  LYS  15           HZ2      LYS  15  -9.918   0.561  -3.147
  133    HZ3  LYS  15           HZ3      LYS  15  -8.695  -0.585  -3.422
  134    H    VAL  16           HN       VAL  16 -10.264  -6.473   1.111
  135    HA   VAL  16           HA       VAL  16 -10.560  -7.497  -1.561
  136    HB   VAL  16           HB       VAL  16  -9.014  -9.312  -0.669
  137   HG11  VAL  16          HG11      VAL  16  -8.244  -6.392  -0.369
  138   HG12  VAL  16          HG12      VAL  16  -8.141  -7.358  -1.842
  139   HG13  VAL  16          HG13      VAL  16  -7.092  -7.723  -0.471
  140   HG21  VAL  16          HG21      VAL  16  -8.127  -9.119   1.524
  141   HG22  VAL  16          HG22      VAL  16  -9.860  -8.879   1.743
  142   HG23  VAL  16          HG23      VAL  16  -8.772  -7.490   1.732
  143    H    PHE  17           HN       PHE  17 -12.012  -8.133   1.508
  144    HA   PHE  17           HA       PHE  17 -13.079 -10.734   0.615
  145    HB2  PHE  17           HB2      PHE  17 -13.097  -9.309   3.278
  146    HB3  PHE  17           HB1      PHE  17 -13.998 -10.794   2.970
  147    HD1  PHE  17           HD1      PHE  17 -12.643 -12.769   1.908
  148    HD2  PHE  17           HD2      PHE  17 -10.850  -9.453   3.969
  149    HE1  PHE  17           HE1      PHE  17 -10.591 -14.110   2.283
  150    HE2  PHE  17           HE2      PHE  17  -8.799 -10.795   4.342
  151    HZ   PHE  17           HZ       PHE  17  -8.669 -13.123   3.498
  152    H    ALA  18           HN       ALA  18 -15.274 -11.121   0.405
  153    HA   ALA  18           HA       ALA  18 -17.186  -8.950   0.822
  154    HB1  ALA  18           HB1      ALA  18 -18.014  -9.094  -1.514
  155    HB2  ALA  18           HB2      ALA  18 -16.630 -10.111  -1.913
  156    HB3  ALA  18           HB3      ALA  18 -16.381  -8.439  -1.409
  157    H    LYS  19           HN       LYS  19 -17.670 -10.712   2.381
  158    HA   LYS  19           HA       LYS  19 -18.978 -13.037   1.237
  159    HB2  LYS  19           HB2      LYS  19 -19.356 -13.126   4.033
  160    HB3  LYS  19           HB1      LYS  19 -18.121 -13.994   3.121
  161    HG2  LYS  19           HG2      LYS  19 -17.049 -12.719   4.868
  162    HG3  LYS  19           HG1      LYS  19 -16.651 -11.969   3.320
  163    HD2  LYS  19           HD2      LYS  19 -18.794 -10.496   3.787
  164    HD3  LYS  19           HD1      LYS  19 -18.558 -11.019   5.454
  165    HE2  LYS  19           HE2      LYS  19 -16.728  -9.372   3.728
  166    HE3  LYS  19           HE1      LYS  19 -17.318  -9.030   5.355
  167    HZ1  LYS  19           HZ1      LYS  19 -15.130  -9.733   5.651
  168    HZ2  LYS  19           HZ2      LYS  19 -15.271 -10.988   4.515
  169    HZ3  LYS  19           HZ3      LYS  19 -16.051 -11.110   6.020
  170    HA   PRO  20           HA       PRO  20 -23.174 -11.762   1.573
  171    HB2  PRO  20           HB2      PRO  20 -23.753 -13.963   3.513
  172    HB3  PRO  20           HB1      PRO  20 -24.492 -13.633   1.934
  173    HG2  PRO  20           HG2      PRO  20 -22.780 -15.651   2.269
  174    HG3  PRO  20           HG1      PRO  20 -22.805 -14.695   0.775
  175    HD2  PRO  20           HD2      PRO  20 -20.856 -14.589   3.051
  176    HD3  PRO  20           HD1      PRO  20 -20.580 -14.415   1.304
  177    H    ILE  21           HN       ILE  21 -24.542 -10.503   2.836
  178    HA   ILE  21           HA       ILE  21 -23.436  -9.434   5.263
  179    HB   ILE  21           HB       ILE  21 -26.199  -8.938   4.145
  180   HG12  ILE  21          HG12      ILE  21 -24.623  -8.603   2.330
  181   HG13  ILE  21          HG11      ILE  21 -25.102  -7.019   2.944
  182   HG21  ILE  21          HG21      ILE  21 -25.807  -6.706   5.212
  183   HG22  ILE  21          HG22      ILE  21 -24.290  -7.325   5.860
  184   HG23  ILE  21          HG23      ILE  21 -25.821  -8.032   6.376
  185   HD11  ILE  21          HD11      ILE  21 -22.758  -6.839   2.760
  186   HD12  ILE  21          HD12      ILE  21 -22.494  -8.484   3.335
  187   HD13  ILE  21          HD13      ILE  21 -22.987  -7.223   4.466
  188    H    GLY  22           HN       GLY  22 -23.916  -9.920   7.312
  189    HA2  GLY  22           HA2      GLY  22 -25.188 -10.687   9.126
  190    HA3  GLY  22           HA1      GLY  22 -26.367 -11.348   7.998
  191    H    ALA  23           HN       ALA  23 -23.468 -11.942   9.793
  192    HA   ALA  23           HA       ALA  23 -23.803 -14.784   9.579
  193    HB1  ALA  23           HB1      ALA  23 -21.576 -15.236   8.577
  194    HB2  ALA  23           HB2      ALA  23 -21.401 -13.512   8.248
  195    HB3  ALA  23           HB3      ALA  23 -22.674 -14.438   7.451
  196    H    SER  24           HN       SER  24 -21.336 -15.662  10.363
  197    HA   SER  24           HA       SER  24 -21.246 -14.755  13.097
  198    HB2  SER  24           HB2      SER  24 -19.671 -16.800  11.534
  199    HB3  SER  24           HB1      SER  24 -19.326 -16.429  13.220
  200    HG   SER  24           HG       SER  24 -20.912 -17.719  13.667
  201    H    TYR  25           HN       TYR  25 -19.560 -14.024  10.177
  202    HA   TYR  25           HA       TYR  25 -17.133 -13.066  11.343
  203    HB2  TYR  25           HB2      TYR  25 -17.227 -13.695   8.987
  204    HB3  TYR  25           HB1      TYR  25 -18.425 -12.438   8.676
  205    HD1  TYR  25           HD1      TYR  25 -14.897 -13.094   9.586
  206    HD2  TYR  25           HD2      TYR  25 -17.799 -10.110   8.527
  207    HE1  TYR  25           HE1      TYR  25 -13.076 -11.443   9.254
  208    HE2  TYR  25           HE2      TYR  25 -15.979  -8.459   8.195
  209    HH   TYR  25           HH       TYR  25 -12.595  -9.284   8.906
  210    H    GLN  26           HN       GLN  26 -20.224 -11.593  10.483
  211    HA   GLN  26           HA       GLN  26 -19.471  -8.899  10.876
  212    HB2  GLN  26           HB2      GLN  26 -21.572  -9.710   9.734
  213    HB3  GLN  26           HB1      GLN  26 -22.218 -10.078  11.333
  214    HG2  GLN  26           HG2      GLN  26 -23.003  -7.879  10.718
  215    HG3  GLN  26           HG1      GLN  26 -21.787  -7.679  11.978
  216   HE21  GLN  26          HE21      GLN  26 -21.855  -7.916   8.366
  217   HE22  GLN  26          HE22      GLN  26 -20.722  -6.675   8.128
  218    H    GLY  27           HN       GLY  27 -20.412 -11.445  13.075
  219    HA2  GLY  27           HA2      GLY  27 -21.082  -9.890  15.329
  220    HA3  GLY  27           HA1      GLY  27 -20.496 -11.549  15.373
  221    H    ILE  28           HN       ILE  28 -17.987 -10.966  14.039
  222    HA   ILE  28           HA       ILE  28 -16.427 -10.260  16.322
  223    HB   ILE  28           HB       ILE  28 -15.673 -10.634  13.413
  224   HG12  ILE  28          HG12      ILE  28 -15.173 -12.429  15.799
  225   HG13  ILE  28          HG11      ILE  28 -16.595 -12.593  14.767
  226   HG21  ILE  28          HG21      ILE  28 -13.956  -9.278  14.372
  227   HG22  ILE  28          HG22      ILE  28 -13.348 -10.931  14.451
  228   HG23  ILE  28          HG23      ILE  28 -14.007 -10.164  15.896
  229   HD11  ILE  28          HD11      ILE  28 -15.216 -13.018  12.826
  230   HD12  ILE  28          HD12      ILE  28 -14.675 -14.092  14.115
  231   HD13  ILE  28          HD13      ILE  28 -13.749 -12.641  13.729
  232    H    LEU  29           HN       LEU  29 -17.749  -8.488  13.641
  233    HA   LEU  29           HA       LEU  29 -16.016  -6.180  14.117
  234    HB2  LEU  29           HB2      LEU  29 -16.701  -6.937  11.794
  235    HB3  LEU  29           HB1      LEU  29 -18.340  -6.419  12.197
  236    HG   LEU  29           HG       LEU  29 -17.411  -4.142  12.751
  237   HD11  LEU  29          HD11      LEU  29 -14.891  -5.510  11.854
  238   HD12  LEU  29          HD12      LEU  29 -15.119  -4.334  13.147
  239   HD13  LEU  29          HD13      LEU  29 -15.092  -3.800  11.468
  240   HD21  LEU  29          HD21      LEU  29 -16.780  -4.981   9.910
  241   HD22  LEU  29          HD22      LEU  29 -17.359  -3.414  10.468
  242   HD23  LEU  29          HD23      LEU  29 -18.432  -4.813  10.509
  243    H    ASP  30           HN       ASP  30 -19.434  -7.106  14.376
  244    HA   ASP  30           HA       ASP  30 -20.437  -4.611  15.208
  245    HB2  ASP  30           HB2      ASP  30 -21.351  -7.442  15.743
  246    HB3  ASP  30           HB1      ASP  30 -22.259  -6.029  16.277
  247    H    GLN  31           HN       GLN  31 -19.312  -7.391  17.143
  248    HA   GLN  31           HA       GLN  31 -19.718  -6.159  19.657
  249    HB2  GLN  31           HB2      GLN  31 -19.421  -8.624  19.283
  250    HB3  GLN  31           HB1      GLN  31 -17.715  -8.320  18.976
  251    HG2  GLN  31           HG2      GLN  31 -17.392  -7.456  21.200
  252    HG3  GLN  31           HG1      GLN  31 -19.125  -7.472  21.513
  253   HE21  GLN  31          HE21      GLN  31 -18.305  -8.895  23.419
  254   HE22  GLN  31          HE22      GLN  31 -18.169 -10.560  23.121
  255    H    LEU  32           HN       LEU  32 -17.203  -5.941  17.280
  256    HA   LEU  32           HA       LEU  32 -15.083  -5.057  18.890
  257    HB2  LEU  32           HB2      LEU  32 -15.082  -5.682  16.385
  258    HB3  LEU  32           HB1      LEU  32 -15.606  -4.020  16.109
  259    HG   LEU  32           HG       LEU  32 -13.583  -3.369  17.617
  260   HD11  LEU  32          HD11      LEU  32 -12.899  -6.223  16.866
  261   HD12  LEU  32          HD12      LEU  32 -12.892  -5.495  18.472
  262   HD13  LEU  32          HD13      LEU  32 -11.680  -5.026  17.290
  263   HD21  LEU  32          HD21      LEU  32 -13.663  -2.830  15.254
  264   HD22  LEU  32          HD22      LEU  32 -13.245  -4.488  14.823
  265   HD23  LEU  32          HD23      LEU  32 -12.058  -3.462  15.628
  266    H    ASP  33           HN       ASP  33 -17.727  -3.297  17.339
  267    HA   ASP  33           HA       ASP  33 -16.865  -0.690  17.980
  268    HB2  ASP  33           HB2      ASP  33 -18.631  -1.109  16.345
  269    HB3  ASP  33           HB1      ASP  33 -19.670  -1.770  17.607
  270    H    LEU  34           HN       LEU  34 -18.731  -3.082  19.769
  271    HA   LEU  34           HA       LEU  34 -19.538  -1.402  21.902
  272    HB2  LEU  34           HB2      LEU  34 -19.303  -4.373  21.507
  273    HB3  LEU  34           HB1      LEU  34 -19.587  -3.748  23.134
  274    HG   LEU  34           HG       LEU  34 -21.570  -2.529  22.320
  275   HD11  LEU  34          HD11      LEU  34 -22.375  -3.113  19.988
  276   HD12  LEU  34          HD12      LEU  34 -20.776  -3.794  19.695
  277   HD13  LEU  34          HD13      LEU  34 -20.949  -2.076  20.044
  278   HD21  LEU  34          HD21      LEU  34 -22.000  -4.726  23.174
  279   HD22  LEU  34          HD22      LEU  34 -21.407  -5.488  21.698
  280   HD23  LEU  34          HD23      LEU  34 -22.926  -4.592  21.680
  281    H    VAL  35           HN       VAL  35 -16.640  -3.336  21.344
  282    HA   VAL  35           HA       VAL  35 -15.520  -3.278  23.882
  283    HB   VAL  35           HB       VAL  35 -14.161  -3.102  21.185
  284   HG11  VAL  35          HG11      VAL  35 -13.072  -3.581  23.963
  285   HG12  VAL  35          HG12      VAL  35 -12.550  -2.373  22.787
  286   HG13  VAL  35          HG13      VAL  35 -12.210  -4.082  22.508
  287   HG21  VAL  35          HG21      VAL  35 -14.009  -5.472  21.303
  288   HG22  VAL  35          HG22      VAL  35 -15.661  -5.107  21.803
  289   HG23  VAL  35          HG23      VAL  35 -14.437  -5.491  23.013
  290    H    HIS  36           HN       HIS  36 -15.876  -0.717  21.555
  291    HA   HIS  36           HA       HIS  36 -13.947   1.034  22.829
  292    HB2  HIS  36           HB2      HIS  36 -15.995   1.447  20.649
  293    HB3  HIS  36           HB1      HIS  36 -14.948   2.734  21.250
  294    HD2  HIS  36           HD2      HIS  36 -12.248   2.546  20.434
  295    HE1  HIS  36           HE1      HIS  36 -12.704  -0.937  18.091
  296    HE2  HIS  36           HE2      HIS  36 -11.111   0.940  18.718
  297    H    GLN  37           HN       GLN  37 -17.492   0.849  22.576
  298    HA   GLN  37           HA       GLN  37 -17.816   3.020  24.502
  299    HB2  GLN  37           HB2      GLN  37 -19.806   1.321  22.984
  300    HB3  GLN  37           HB1      GLN  37 -20.254   2.606  24.108
  301    HG2  GLN  37           HG2      GLN  37 -18.994   4.239  22.764
  302    HG3  GLN  37           HG1      GLN  37 -18.519   2.962  21.646
  303   HE21  GLN  37          HE21      GLN  37 -19.720   3.341  19.764
  304   HE22  GLN  37          HE22      GLN  37 -21.397   3.605  19.732
  305    H    ALA  38           HN       ALA  38 -17.201  -0.235  24.701
  306    HA   ALA  38           HA       ALA  38 -19.003  -0.994  26.789
  307    HB1  ALA  38           HB1      ALA  38 -17.264  -2.865  27.093
  308    HB2  ALA  38           HB2      ALA  38 -16.443  -2.154  25.704
  309    HB3  ALA  38           HB3      ALA  38 -18.085  -2.776  25.534
  310    H    LYS  39           HN       LYS  39 -18.700  -1.028  28.979
  311    HA   LYS  39           HA       LYS  39 -16.862   0.894  30.078
  312    HB2  LYS  39           HB2      LYS  39 -18.492  -1.086  31.660
  313    HB3  LYS  39           HB1      LYS  39 -17.940   0.519  32.141
  314    HG2  LYS  39           HG2      LYS  39 -20.016   1.256  31.489
  315    HG3  LYS  39           HG1      LYS  39 -19.428   1.074  29.837
  316    HD2  LYS  39           HD2      LYS  39 -20.274  -1.248  29.798
  317    HD3  LYS  39           HD1      LYS  39 -20.871  -1.052  31.447
  318    HE2  LYS  39           HE2      LYS  39 -22.719  -0.661  29.947
  319    HE3  LYS  39           HE1      LYS  39 -22.245   0.893  30.634
  320    HZ1  LYS  39           HZ1      LYS  39 -22.514   1.172  28.303
  321    HZ2  LYS  39           HZ2      LYS  39 -21.539  -0.176  27.958
  322    HZ3  LYS  39           HZ3      LYS  39 -20.849   1.226  28.625
  323    H    GLY  40           HN       GLY  40 -15.690   0.155  32.199
  324    HA2  GLY  40           HA2      GLY  40 -13.515  -1.417  31.479
  325    HA3  GLY  40           HA1      GLY  40 -13.981  -1.064  33.140
  326    H    ARG  41           HN       ARG  41 -16.439  -2.356  33.285
  327    HA   ARG  41           HA       ARG  41 -15.593  -5.079  33.641
  328    HB2  ARG  41           HB2      ARG  41 -18.362  -3.877  33.838
  329    HB3  ARG  41           HB1      ARG  41 -17.846  -5.433  34.486
  330    HG2  ARG  41           HG2      ARG  41 -16.325  -4.379  36.028
  331    HG3  ARG  41           HG1      ARG  41 -16.581  -2.801  35.284
  332    HD2  ARG  41           HD2      ARG  41 -17.921  -2.881  37.286
  333    HD3  ARG  41           HD1      ARG  41 -19.006  -2.981  35.900
  334    HE   ARG  41           HE       ARG  41 -19.516  -5.184  36.500
  335   HH11  ARG  41          HH21      ARG  41 -16.858  -3.928  38.328
  336   HH12  ARG  41          HH22      ARG  41 -16.839  -5.237  39.462
  337   HH21  ARG  41          HH11      ARG  41 -19.499  -6.903  37.987
  338   HH22  ARG  41          HH12      ARG  41 -18.334  -6.921  39.269
  339    H    ASP  42           HN       ASP  42 -17.925  -3.450  31.505
  340    HA   ASP  42           HA       ASP  42 -18.755  -5.786  30.136
  341    HB2  ASP  42           HB2      ASP  42 -19.927  -3.529  30.218
  342    HB3  ASP  42           HB1      ASP  42 -18.770  -2.993  29.000
  343    H    GLN  43           HN       GLN  43 -16.086  -3.580  29.685
  344    HA   GLN  43           HA       GLN  43 -15.395  -4.301  27.043
  345    HB2  GLN  43           HB2      GLN  43 -14.501  -2.290  28.150
  346    HB3  GLN  43           HB1      GLN  43 -13.598  -3.306  29.275
  347    HG2  GLN  43           HG2      GLN  43 -12.310  -4.251  27.431
  348    HG3  GLN  43           HG1      GLN  43 -13.283  -3.351  26.268
  349   HE21  GLN  43          HE21      GLN  43 -10.445  -3.007  26.414
  350   HE22  GLN  43          HE22      GLN  43 -10.129  -1.435  26.972
  351    H    ILE  44           HN       ILE  44 -14.556  -5.644  30.189
  352    HA   ILE  44           HA       ILE  44 -12.543  -7.430  29.311
  353    HB   ILE  44           HB       ILE  44 -14.399  -7.521  31.702
  354   HG12  ILE  44          HG12      ILE  44 -11.436  -6.924  31.561
  355   HG13  ILE  44          HG11      ILE  44 -12.663  -5.660  31.440
  356   HG21  ILE  44          HG21      ILE  44 -12.102  -9.308  30.874
  357   HG22  ILE  44          HG22      ILE  44 -13.724  -9.783  31.378
  358   HG23  ILE  44          HG23      ILE  44 -12.586  -9.140  32.563
  359   HD11  ILE  44          HD11      ILE  44 -13.484  -6.109  33.632
  360   HD12  ILE  44          HD12      ILE  44 -11.727  -6.110  33.784
  361   HD13  ILE  44          HD13      ILE  44 -12.608  -7.637  33.727
  362    H    ALA  45           HN       ALA  45 -16.049  -7.812  29.745
  363    HA   ALA  45           HA       ALA  45 -16.224 -10.548  29.163
  364    HB1  ALA  45           HB1      ALA  45 -18.593  -9.947  28.428
  365    HB2  ALA  45           HB2      ALA  45 -18.171  -8.273  28.788
  366    HB3  ALA  45           HB3      ALA  45 -18.146  -9.483  30.070
  367    H    ALA  46           HN       ALA  46 -16.241  -7.722  27.027
  368    HA   ALA  46           HA       ALA  46 -16.803  -9.083  24.614
  369    HB1  ALA  46           HB1      ALA  46 -15.159  -6.572  24.939
  370    HB2  ALA  46           HB2      ALA  46 -16.922  -6.599  24.975
  371    HB3  ALA  46           HB3      ALA  46 -16.062  -7.086  23.513
  372    H    SER  47           HN       SER  47 -13.807  -8.389  26.337
  373    HA   SER  47           HA       SER  47 -12.028  -9.170  24.324
  374    HB2  SER  47           HB2      SER  47 -11.717  -9.341  27.324
  375    HB3  SER  47           HB1      SER  47 -10.402  -9.515  26.166
  376    HG   SER  47           HG       SER  47 -12.128  -7.265  26.308
  377    H    PHE  48           HN       PHE  48 -13.618 -11.043  26.857
  378    HA   PHE  48           HA       PHE  48 -12.295 -13.487  26.410
  379    HB2  PHE  48           HB2      PHE  48 -13.723 -12.958  28.392
  380    HB3  PHE  48           HB1      PHE  48 -15.143 -13.095  27.354
  381    HD1  PHE  48           HD2      PHE  48 -12.154 -14.964  28.579
  382    HD2  PHE  48           HD1      PHE  48 -16.073 -15.218  26.838
  383    HE1  PHE  48           HE2      PHE  48 -12.127 -17.426  28.878
  384    HE2  PHE  48           HE1      PHE  48 -16.046 -17.680  27.137
  385    HZ   PHE  48           HZ       PHE  48 -14.074 -18.784  28.157
  386    H    GLU  49           HN       GLU  49 -15.308 -12.167  25.045
  387    HA   GLU  49           HA       GLU  49 -15.957 -14.450  23.491
  388    HB2  GLU  49           HB2      GLU  49 -17.518 -12.563  24.096
  389    HB3  GLU  49           HB1      GLU  49 -16.691 -11.580  22.888
  390    HG2  GLU  49           HG2      GLU  49 -18.606 -12.536  21.805
  391    HG3  GLU  49           HG1      GLU  49 -17.193 -13.402  21.209
  392    H    LEU  50           HN       LEU  50 -14.334 -11.401  22.653
  393    HA   LEU  50           HA       LEU  50 -13.814 -12.083  19.959
  394    HB2  LEU  50           HB2      LEU  50 -12.844 -10.008  21.862
  395    HB3  LEU  50           HB1      LEU  50 -11.876 -10.284  20.414
  396    HG   LEU  50           HG       LEU  50 -13.672  -8.511  20.177
  397   HD11  LEU  50          HD11      LEU  50 -14.428 -10.654  18.224
  398   HD12  LEU  50          HD12      LEU  50 -12.720 -10.212  18.290
  399   HD13  LEU  50          HD13      LEU  50 -13.935  -8.985  17.935
  400   HD21  LEU  50          HD21      LEU  50 -15.689 -10.752  19.981
  401   HD22  LEU  50          HD22      LEU  50 -15.952  -9.033  20.256
  402   HD23  LEU  50          HD23      LEU  50 -15.329 -10.042  21.555
  403    H    ASN  51           HN       ASN  51 -12.085 -12.675  22.932
  404    HA   ASN  51           HA       ASN  51  -9.598 -13.378  21.906
  405    HB2  ASN  51           HB2      ASN  51  -9.960 -13.152  24.286
  406    HB3  ASN  51           HB1      ASN  51 -11.105 -14.493  24.278
  407   HD21  ASN  51          HD21      ASN  51 -10.024 -16.600  23.190
  408   HD22  ASN  51          HD22      ASN  51  -8.460 -16.949  23.751
  409    H    LYS  52           HN       LYS  52 -12.362 -15.524  22.603
  410    HA   LYS  52           HA       LYS  52 -11.135 -17.841  21.512
  411    HB2  LYS  52           HB2      LYS  52 -13.480 -18.752  21.531
  412    HB3  LYS  52           HB1      LYS  52 -12.905 -18.124  23.073
  413    HG2  LYS  52           HG2      LYS  52 -14.105 -16.035  22.728
  414    HG3  LYS  52           HG1      LYS  52 -14.586 -16.544  21.115
  415    HD2  LYS  52           HD2      LYS  52 -16.454 -16.915  22.578
  416    HD3  LYS  52           HD1      LYS  52 -15.784 -18.485  22.141
  417    HE2  LYS  52           HE2      LYS  52 -14.765 -18.772  24.254
  418    HE3  LYS  52           HE1      LYS  52 -14.908 -17.061  24.656
  419    HZ1  LYS  52           HZ1      LYS  52 -17.314 -18.668  24.139
  420    HZ2  LYS  52           HZ2      LYS  52 -17.142 -17.258  25.071
  421    HZ3  LYS  52           HZ3      LYS  52 -16.555 -18.742  25.653
  422    H    LYS  53           HN       LYS  53 -13.363 -15.440  20.170
  423    HA   LYS  53           HA       LYS  53 -13.838 -16.744  17.718
  424    HB2  LYS  53           HB2      LYS  53 -13.976 -13.862  18.565
  425    HB3  LYS  53           HB1      LYS  53 -14.370 -14.358  16.926
  426    HG2  LYS  53           HG2      LYS  53 -16.078 -15.907  17.821
  427    HG3  LYS  53           HG1      LYS  53 -15.688 -15.375  19.456
  428    HD2  LYS  53           HD2      LYS  53 -16.381 -13.103  18.947
  429    HD3  LYS  53           HD1      LYS  53 -16.632 -13.524  17.252
  430    HE2  LYS  53           HE2      LYS  53 -18.386 -15.106  17.884
  431    HE3  LYS  53           HE1      LYS  53 -18.132 -14.734  19.586
  432    HZ1  LYS  53           HZ1      LYS  53 -19.621 -13.299  17.622
  433    HZ2  LYS  53           HZ2      LYS  53 -18.474 -12.301  18.380
  434    HZ3  LYS  53           HZ3      LYS  53 -19.629 -13.130  19.309
  435    H    ILE  54           HN       ILE  54 -11.418 -14.311  18.658
  436    HA   ILE  54           HA       ILE  54 -10.242 -14.091  16.085
  437    HB   ILE  54           HB       ILE  54  -9.185 -13.526  18.862
  438   HG12  ILE  54          HG12      ILE  54  -9.930 -11.587  16.664
  439   HG13  ILE  54          HG11      ILE  54 -11.119 -12.175  17.829
  440   HG21  ILE  54          HG21      ILE  54  -7.219 -13.876  17.578
  441   HG22  ILE  54          HG22      ILE  54  -7.472 -12.130  17.521
  442   HG23  ILE  54          HG23      ILE  54  -7.926 -13.133  16.143
  443   HD11  ILE  54          HD11      ILE  54  -8.499 -10.880  18.629
  444   HD12  ILE  54          HD12      ILE  54  -9.866 -11.265  19.677
  445   HD13  ILE  54          HD13      ILE  54 -10.014  -9.992  18.468
  446    H    ASN  55           HN       ASN  55  -9.363 -16.007  18.956
  447    HA   ASN  55           HA       ASN  55  -7.102 -17.246  17.787
  448    HB2  ASN  55           HB2      ASN  55  -7.423 -17.208  20.200
  449    HB3  ASN  55           HB1      ASN  55  -8.889 -18.176  20.044
  450   HD21  ASN  55          HD21      ASN  55  -5.711 -18.494  20.883
  451   HD22  ASN  55          HD22      ASN  55  -5.445 -20.100  20.404
  452    H    ASP  56           HN       ASP  56 -10.495 -18.228  18.069
  453    HA   ASP  56           HA       ASP  56 -10.208 -20.795  16.932
  454    HB2  ASP  56           HB2      ASP  56 -12.571 -18.915  17.096
  455    HB3  ASP  56           HB1      ASP  56 -12.682 -20.556  16.462
  456    H    TYR  57           HN       TYR  57 -11.045 -17.657  15.486
  457    HA   TYR  57           HA       TYR  57 -11.530 -18.569  12.879
  458    HB2  TYR  57           HB2      TYR  57 -11.958 -16.238  13.877
  459    HB3  TYR  57           HB1      TYR  57 -10.266 -15.903  13.518
  460    HD1  TYR  57           HD1      TYR  57  -9.444 -16.201  11.118
  461    HD2  TYR  57           HD2      TYR  57 -13.603 -16.165  12.184
  462    HE1  TYR  57           HE1      TYR  57 -10.049 -15.745   8.757
  463    HE2  TYR  57           HE2      TYR  57 -14.207 -15.708   9.824
  464    HH   TYR  57           HH       TYR  57 -13.084 -14.680   7.809
  465    H    ILE  58           HN       ILE  58  -8.531 -17.288  14.331
  466    HA   ILE  58           HA       ILE  58  -6.921 -17.642  12.026
  467    HB   ILE  58           HB       ILE  58  -6.212 -17.479  14.964
  468   HG12  ILE  58          HG12      ILE  58  -5.811 -15.431  12.771
  469   HG13  ILE  58          HG11      ILE  58  -7.299 -15.500  13.720
  470   HG21  ILE  58          HG21      ILE  58  -3.911 -16.878  13.982
  471   HG22  ILE  58          HG22      ILE  58  -4.489 -17.597  12.479
  472   HG23  ILE  58          HG23      ILE  58  -4.363 -18.583  13.935
  473   HD11  ILE  58          HD11      ILE  58  -5.497 -13.909  14.585
  474   HD12  ILE  58          HD12      ILE  58  -4.563 -15.346  14.999
  475   HD13  ILE  58          HD13      ILE  58  -6.131 -15.065  15.757
  476    H    ALA  59           HN       ALA  59  -7.493 -19.676  14.879
  477    HA   ALA  59           HA       ALA  59  -5.689 -21.737  14.203
  478    HB1  ALA  59           HB1      ALA  59  -6.551 -21.619  16.443
  479    HB2  ALA  59           HB2      ALA  59  -7.116 -23.134  15.738
  480    HB3  ALA  59           HB3      ALA  59  -8.212 -21.759  15.869
  481    H    GLU  60           HN       GLU  60  -8.856 -20.932  13.050
  482    HA   GLU  60           HA       GLU  60  -9.578 -23.489  12.034
  483    HB2  GLU  60           HB2      GLU  60 -11.142 -21.538  12.419
  484    HB3  GLU  60           HB1      GLU  60 -10.459 -20.799  10.971
  485    HG2  GLU  60           HG2      GLU  60 -12.442 -21.973  10.290
  486    HG3  GLU  60           HG1      GLU  60 -11.064 -22.913   9.718
  487    H    HIS  61           HN       HIS  61  -7.936 -20.681  10.622
  488    HA   HIS  61           HA       HIS  61  -6.814 -22.426   8.542
  489    HB2  HIS  61           HB2      HIS  61  -8.367 -19.894   7.974
  490    HB3  HIS  61           HB1      HIS  61  -7.340 -20.717   6.800
  491    HD2  HIS  61           HD2      HIS  61  -8.202 -23.671   6.661
  492    HE1  HIS  61           HE1      HIS  61 -12.235 -22.520   7.147
  493    HE2  HIS  61           HE2      HIS  61 -10.696 -24.411   6.436
  494    HA   PRO  62           HA       PRO  62  -3.829 -19.472  10.617
  495    HB2  PRO  62           HB2      PRO  62  -2.123 -21.900  10.205
  496    HB3  PRO  62           HB1      PRO  62  -2.269 -20.855  11.634
  497    HG2  PRO  62           HG2      PRO  62  -3.379 -23.273  11.593
  498    HG3  PRO  62           HG1      PRO  62  -4.195 -21.904  12.369
  499    HD2  PRO  62           HD2      PRO  62  -4.766 -23.181   9.711
  500    HD3  PRO  62           HD1      PRO  62  -5.902 -22.524  10.911
  501    H    THR  63           HN       THR  63  -3.550 -21.639   7.847
  502    HA   THR  63           HA       THR  63  -1.351 -20.264   6.638
  503    HB   THR  63           HB       THR  63  -3.359 -22.167   5.411
  504    HG1  THR  63           HG1      THR  63  -1.915 -23.718   5.940
  505   HG21  THR  63          HG21      THR  63  -0.837 -20.867   4.415
  506   HG22  THR  63          HG22      THR  63  -2.338 -21.203   3.551
  507   HG23  THR  63          HG23      THR  63  -1.214 -22.513   3.903
  508    H    SER  64           HN       SER  64  -4.396 -19.241   7.179
  509    HA   SER  64           HA       SER  64  -5.345 -18.238   4.750
  510    HB2  SER  64           HB2      SER  64  -5.599 -17.175   7.565
  511    HB3  SER  64           HB1      SER  64  -6.459 -16.484   6.193
  512    HG   SER  64           HG       SER  64  -7.140 -18.567   7.646
  513    H    GLY  65           HN       GLY  65  -3.011 -16.871   7.037
  514    HA2  GLY  65           HA2      GLY  65  -1.287 -15.370   6.616
  515    HA3  GLY  65           HA1      GLY  65  -1.840 -15.247   4.948
  516    H    ARG  66           HN       ARG  66  -4.386 -14.394   5.146
  517    HA   ARG  66           HA       ARG  66  -4.111 -11.631   5.695
  518    HB2  ARG  66           HB2      ARG  66  -6.509 -13.383   5.150
  519    HB3  ARG  66           HB1      ARG  66  -6.653 -11.646   5.411
  520    HG2  ARG  66           HG2      ARG  66  -6.488 -11.822   3.063
  521    HG3  ARG  66           HG1      ARG  66  -4.836 -11.442   3.543
  522    HD2  ARG  66           HD2      ARG  66  -4.204 -13.786   3.394
  523    HD3  ARG  66           HD1      ARG  66  -5.872 -14.256   3.083
  524    HE   ARG  66           HE       ARG  66  -5.231 -12.451   1.099
  525   HH11  ARG  66          HH21      ARG  66  -3.994 -15.439   2.332
  526   HH12  ARG  66          HH22      ARG  66  -3.380 -15.975   0.803
  527   HH21  ARG  66          HH11      ARG  66  -4.432 -13.145  -0.904
  528   HH22  ARG  66          HH12      ARG  66  -3.629 -14.673  -1.030
  529    H    ASN  67           HN       ASN  67  -5.534 -14.298   7.505
  530    HA   ASN  67           HA       ASN  67  -6.722 -12.751   9.549
  531    HB2  ASN  67           HB2      ASN  67  -5.600 -15.544   9.823
  532    HB3  ASN  67           HB1      ASN  67  -6.877 -14.804  10.786
  533   HD21  ASN  67          HD21      ASN  67  -7.958 -13.501   8.207
  534   HD22  ASN  67          HD22      ASN  67  -8.802 -14.759   7.443
  535    H    GLN  68           HN       GLN  68  -3.453 -13.516   8.837
  536    HA   GLN  68           HA       GLN  68  -2.160 -13.623  11.253
  537    HB2  GLN  68           HB2      GLN  68  -1.028 -13.720   9.049
  538    HB3  GLN  68           HB1      GLN  68  -1.281 -11.984   8.864
  539    HG2  GLN  68           HG2      GLN  68   0.071 -11.522  10.829
  540    HG3  GLN  68           HG1      GLN  68   0.224 -13.244  11.173
  541   HE21  GLN  68          HE21      GLN  68   2.552 -11.664  10.781
  542   HE22  GLN  68          HE22      GLN  68   3.286 -12.127   9.322
  543    H    ALA  69           HN       ALA  69  -3.675 -10.839   9.737
  544    HA   ALA  69           HA       ALA  69  -2.606  -8.953  11.663
  545    HB1  ALA  69           HB1      ALA  69  -4.694  -8.725   9.492
  546    HB2  ALA  69           HB2      ALA  69  -3.044  -8.105   9.467
  547    HB3  ALA  69           HB3      ALA  69  -4.241  -7.384  10.544
  548    H    LEU  70           HN       LEU  70  -5.298 -11.071  11.427
  549    HA   LEU  70           HA       LEU  70  -7.152  -9.703  13.047
  550    HB2  LEU  70           HB2      LEU  70  -7.447 -11.846  11.588
  551    HB3  LEU  70           HB1      LEU  70  -6.914 -12.704  13.034
  552    HG   LEU  70           HG       LEU  70  -8.744 -11.211  14.240
  553   HD11  LEU  70          HD11      LEU  70 -10.556 -10.489  12.888
  554   HD12  LEU  70          HD12      LEU  70 -10.009 -11.426  11.499
  555   HD13  LEU  70          HD13      LEU  70  -9.131  -9.978  11.985
  556   HD21  LEU  70          HD21      LEU  70  -8.791 -13.688  14.043
  557   HD22  LEU  70          HD22      LEU  70  -9.517 -13.536  12.444
  558   HD23  LEU  70          HD23      LEU  70 -10.401 -12.988  13.868
  559    H    THR  71           HN       THR  71  -4.529 -11.922  13.823
  560    HA   THR  71           HA       THR  71  -5.055 -12.319  16.536
  561    HB   THR  71           HB       THR  71  -3.260 -13.405  15.022
  562    HG1  THR  71           HG1      THR  71  -1.970 -12.869  17.346
  563   HG21  THR  71          HG21      THR  71  -2.235 -11.043  14.604
  564   HG22  THR  71          HG22      THR  71  -1.141 -12.403  14.863
  565   HG23  THR  71          HG23      THR  71  -1.474 -11.275  16.177
  566    H    GLN  72           HN       GLN  72  -4.050  -9.500  14.864
  567    HA   GLN  72           HA       GLN  72  -2.556  -8.157  16.809
  568    HB2  GLN  72           HB2      GLN  72  -2.868  -7.403  14.447
  569    HB3  GLN  72           HB1      GLN  72  -4.511  -6.917  14.858
  570    HG2  GLN  72           HG2      GLN  72  -3.104  -4.962  15.027
  571    HG3  GLN  72           HG1      GLN  72  -3.545  -5.449  16.660
  572   HE21  GLN  72          HE21      GLN  72  -1.686  -4.855  17.849
  573   HE22  GLN  72          HE22      GLN  72  -0.123  -5.411  17.493
  574    H    LEU  73           HN       LEU  73  -6.051  -8.421  16.356
  575    HA   LEU  73           HA       LEU  73  -6.820  -6.544  18.311
  576    HB2  LEU  73           HB2      LEU  73  -8.189  -8.979  17.173
  577    HB3  LEU  73           HB1      LEU  73  -8.972  -7.909  18.337
  578    HG   LEU  73           HG       LEU  73  -7.733  -6.877  15.772
  579   HD11  LEU  73          HD11      LEU  73 -10.166  -6.819  14.971
  580   HD12  LEU  73          HD12      LEU  73 -10.511  -7.955  16.273
  581   HD13  LEU  73          HD13      LEU  73  -9.385  -8.400  14.991
  582   HD21  LEU  73          HD21      LEU  73  -8.125  -5.052  17.225
  583   HD22  LEU  73          HD22      LEU  73  -9.588  -5.766  17.888
  584   HD23  LEU  73          HD23      LEU  73  -9.595  -5.094  16.257
  585    H    LYS  74           HN       LYS  74  -6.123  -9.996  18.514
  586    HA   LYS  74           HA       LYS  74  -6.945 -10.405  21.167
  587    HB2  LYS  74           HB2      LYS  74  -6.357 -12.216  19.570
  588    HB3  LYS  74           HB1      LYS  74  -4.660 -11.758  19.717
  589    HG2  LYS  74           HG2      LYS  74  -4.719 -12.223  22.126
  590    HG3  LYS  74           HG1      LYS  74  -6.434 -12.627  22.018
  591    HD2  LYS  74           HD2      LYS  74  -5.901 -14.475  20.468
  592    HD3  LYS  74           HD1      LYS  74  -4.186 -14.078  20.590
  593    HE2  LYS  74           HE2      LYS  74  -4.500 -15.838  22.150
  594    HE3  LYS  74           HE1      LYS  74  -4.477 -14.376  23.134
  595    HZ1  LYS  74           HZ1      LYS  74  -6.547 -14.746  23.782
  596    HZ2  LYS  74           HZ2      LYS  74  -6.472 -16.266  23.025
  597    HZ3  LYS  74           HZ3      LYS  74  -7.095 -14.926  22.186
  598    H    GLU  75           HN       GLU  75  -3.756  -9.509  19.854
  599    HA   GLU  75           HA       GLU  75  -2.455  -9.358  22.375
  600    HB2  GLU  75           HB2      GLU  75  -1.806  -8.060  19.717
  601    HB3  GLU  75           HB1      GLU  75  -0.730  -8.058  21.113
  602    HG2  GLU  75           HG2      GLU  75  -1.816 -10.565  19.801
  603    HG3  GLU  75           HG1      GLU  75  -0.220  -9.888  19.479
  604    H    GLN  76           HN       GLN  76  -3.975  -6.897  20.306
  605    HA   GLN  76           HA       GLN  76  -3.338  -4.677  21.934
  606    HB2  GLN  76           HB2      GLN  76  -5.545  -5.162  19.931
  607    HB3  GLN  76           HB1      GLN  76  -5.312  -3.611  20.740
  608    HG2  GLN  76           HG2      GLN  76  -3.026  -3.472  19.860
  609    HG3  GLN  76           HG1      GLN  76  -3.210  -5.048  19.092
  610   HE21  GLN  76          HE21      GLN  76  -2.611  -3.271  17.230
  611   HE22  GLN  76          HE22      GLN  76  -3.967  -2.687  16.393
  612    H    VAL  77           HN       VAL  77  -6.363  -6.562  21.690
  613    HA   VAL  77           HA       VAL  77  -7.708  -5.244  23.783
  614    HB   VAL  77           HB       VAL  77  -8.023  -8.062  22.726
  615   HG11  VAL  77          HG11      VAL  77 -10.404  -7.652  23.717
  616   HG12  VAL  77          HG12      VAL  77  -9.610  -6.429  24.709
  617   HG13  VAL  77          HG13      VAL  77  -9.105  -8.114  24.815
  618   HG21  VAL  77          HG21      VAL  77  -8.356  -6.035  21.177
  619   HG22  VAL  77          HG22      VAL  77  -9.740  -5.629  22.194
  620   HG23  VAL  77          HG23      VAL  77  -9.712  -7.155  21.311
  621    H    THR  78           HN       THR  78  -5.759  -8.219  23.763
  622    HA   THR  78           HA       THR  78  -6.076  -8.871  26.483
  623    HB   THR  78           HB       THR  78  -3.767  -9.431  24.607
  624    HG1  THR  78           HG1      THR  78  -5.391 -11.472  25.330
  625   HG21  THR  78          HG21      THR  78  -3.449 -11.374  26.271
  626   HG22  THR  78          HG22      THR  78  -4.425 -10.412  27.384
  627   HG23  THR  78          HG23      THR  78  -2.897  -9.777  26.772
  628    H    SER  79           HN       SER  79  -3.623  -6.910  24.823
  629    HA   SER  79           HA       SER  79  -2.037  -6.374  27.103
  630    HB2  SER  79           HB2      SER  79  -1.126  -4.511  25.759
  631    HB3  SER  79           HB1      SER  79  -1.216  -6.003  24.828
  632    HG   SER  79           HG       SER  79  -2.729  -3.660  24.643
  633    H    ALA  80           HN       ALA  80  -4.920  -4.855  25.785
  634    HA   ALA  80           HA       ALA  80  -4.874  -2.451  27.224
  635    HB1  ALA  80           HB1      ALA  80  -7.260  -2.334  26.799
  636    HB2  ALA  80           HB2      ALA  80  -7.313  -4.061  26.450
  637    HB3  ALA  80           HB3      ALA  80  -6.448  -2.970  25.368
  638    H    LEU  81           HN       LEU  81  -6.262  -5.605  28.077
  639    HA   LEU  81           HA       LEU  81  -7.304  -4.795  30.592
  640    HB2  LEU  81           HB2      LEU  81  -6.420  -7.568  29.773
  641    HB3  LEU  81           HB1      LEU  81  -7.587  -7.149  31.030
  642    HG   LEU  81           HG       LEU  81  -7.907  -6.524  28.079
  643   HD11  LEU  81          HD11      LEU  81  -9.810  -8.231  28.344
  644   HD12  LEU  81          HD12      LEU  81  -9.041  -8.696  29.861
  645   HD13  LEU  81          HD13      LEU  81  -8.172  -8.888  28.338
  646   HD21  LEU  81          HD21      LEU  81 -10.351  -6.161  28.976
  647   HD22  LEU  81          HD22      LEU  81  -9.159  -4.884  29.207
  648   HD23  LEU  81          HD23      LEU  81  -9.561  -5.962  30.542
  649    H    GLY  82           HN       GLY  82  -4.158  -5.872  29.525
  650    HA2  GLY  82           HA2      GLY  82  -2.125  -5.499  30.633
  651    HA3  GLY  82           HA1      GLY  82  -3.013  -5.135  32.111
  652    H    LEU  83           HN       LEU  83  -4.106  -7.945  30.550
  653    HA   LEU  83           HA       LEU  83  -3.349  -9.638  32.702
  654    HB2  LEU  83           HB2      LEU  83  -4.429 -10.234  29.944
  655    HB3  LEU  83           HB1      LEU  83  -4.185 -11.468  31.180
  656    HG   LEU  83           HG       LEU  83  -5.861  -8.979  31.607
  657   HD11  LEU  83          HD11      LEU  83  -6.725 -11.774  30.813
  658   HD12  LEU  83          HD12      LEU  83  -6.877 -10.314  29.834
  659   HD13  LEU  83          HD13      LEU  83  -7.820 -10.486  31.315
  660   HD21  LEU  83          HD21      LEU  83  -6.835 -10.682  33.404
  661   HD22  LEU  83          HD22      LEU  83  -5.372  -9.767  33.754
  662   HD23  LEU  83          HD23      LEU  83  -5.252 -11.447  33.230
  663    H    GLU  84           HN       GLU  84  -2.076  -9.148  29.447
  664    HA   GLU  84           HA       GLU  84  -0.126  -9.832  28.452
  665    HB2  GLU  84           HB2      GLU  84   0.741  -9.806  31.350
  666    HB3  GLU  84           HB1      GLU  84   1.849 -10.051  29.999
  667    HG2  GLU  84           HG2      GLU  84   1.229  -7.886  29.054
  668    HG3  GLU  84           HG1      GLU  84   0.036  -7.644  30.330
  669    H    HIS  85           HN       HIS  85   0.838 -11.675  31.218
  670    HA   HIS  85           HA       HIS  85   0.784 -14.119  29.657
  671    HB2  HIS  85           HB2      HIS  85   2.712 -13.713  31.066
  672    HB3  HIS  85           HB1      HIS  85   1.685 -13.530  32.487
  673    HD2  HIS  85           HD2      HIS  85   1.040 -15.930  33.755
  674    HE1  HIS  85           HE1      HIS  85   2.555 -18.537  30.801
  675    HE2  HIS  85           HE2      HIS  85   1.548 -18.414  33.129
  676    H    HIS  86           HN       HIS  86  -0.795 -15.577  29.672
  677    HA   HIS  86           HA       HIS  86  -2.330 -16.187  32.014
  678    HB2  HIS  86           HB2      HIS  86  -3.492 -14.132  31.345
  679    HB3  HIS  86           HB1      HIS  86  -3.735 -14.789  29.726
  680    HD2  HIS  86           HD2      HIS  86  -6.182 -16.030  29.517
  681    HE1  HIS  86           HE1      HIS  86  -6.691 -17.078  33.575
  682    HE2  HIS  86           HE2      HIS  86  -7.762 -17.145  31.272
  683    H    HIS  87           HN       HIS  87  -2.085 -18.338  31.775
  684    HA   HIS  87           HA       HIS  87  -3.294 -19.604  29.411
  685    HB2  HIS  87           HB2      HIS  87  -0.881 -19.431  28.911
  686    HB3  HIS  87           HB1      HIS  87  -0.516 -20.278  30.414
  687    HD2  HIS  87           HD2      HIS  87  -0.456 -23.024  30.112
  688    HE1  HIS  87           HE1      HIS  87  -2.626 -23.273  26.498
  689    HE2  HIS  87           HE2      HIS  87  -1.338 -24.609  28.234
  690    H    HIS  88           HN       HIS  88  -4.398 -21.413  29.892
  691    HA   HIS  88           HA       HIS  88  -3.816 -23.121  32.091
  692    HB2  HIS  88           HB2      HIS  88  -4.711 -21.233  33.388
  693    HB3  HIS  88           HB1      HIS  88  -6.188 -21.270  32.425
  694    HD2  HIS  88           HD2      HIS  88  -8.104 -23.009  33.415
  695    HE1  HIS  88           HE1      HIS  88  -5.600 -25.233  35.985
  696    HE2  HIS  88           HE2      HIS  88  -7.998 -24.891  35.222
  697    H    HIS  89           HN       HIS  89  -4.067 -24.000  29.686
  698    HA   HIS  89           HA       HIS  89  -6.678 -24.480  28.690
  699    HB2  HIS  89           HB2      HIS  89  -4.612 -24.690  27.329
  700    HB3  HIS  89           HB1      HIS  89  -4.172 -26.124  28.257
  701    HD2  HIS  89           HD2      HIS  89  -6.513 -25.137  25.322
  702    HE1  HIS  89           HE1      HIS  89  -7.316 -29.176  26.252
  703    HE2  HIS  89           HE2      HIS  89  -7.747 -27.314  24.579
  704    H    HIS  90           HN       HIS  90  -4.494 -26.418  30.718
  705    HA   HIS  90           HA       HIS  90  -6.148 -28.697  30.920
  706    HB2  HIS  90           HB2      HIS  90  -4.084 -27.617  32.853
  707    HB3  HIS  90           HB1      HIS  90  -4.791 -29.231  32.926
  708    HD2  HIS  90           HD2      HIS  90  -1.866 -27.471  31.204
  709    HE1  HIS  90           HE1      HIS  90  -2.484 -31.059  29.068
  710    HE2  HIS  90           HE2      HIS  90  -0.899 -29.106  29.412
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  -7.967   1.396  22.131
    2    H2   MET   1           HT2      MET   1  -8.554   2.738  21.269
    3    H3   MET   1           HT3      MET   1  -9.269   2.293  22.744
    4    HA   MET   1           HA       MET   1  -7.071   4.007  22.279
    5    HB2  MET   1           HB2      MET   1  -8.597   3.106  24.738
    6    HB3  MET   1           HB1      MET   1  -7.422   4.422  24.734
    7    HG2  MET   1           HG2      MET   1  -8.752   5.609  23.028
    8    HG3  MET   1           HG1      MET   1  -9.928   4.295  23.029
    9    HE1  MET   1           HE1      MET   1 -10.983   7.164  23.478
   10    HE2  MET   1           HE2      MET   1 -12.109   6.812  24.788
   11    HE3  MET   1           HE3      MET   1 -11.887   5.642  23.489
   12    H    GLY   2           HN       GLY   2  -5.611   2.134  21.552
   13    HA2  GLY   2           HA2      GLY   2  -3.511   1.771  23.296
   14    HA3  GLY   2           HA1      GLY   2  -4.547   0.369  23.542
   15    H    GLN   3           HN       GLN   3  -2.834  -0.961  22.722
   16    HA   GLN   3           HA       GLN   3  -1.836  -0.636  20.053
   17    HB2  GLN   3           HB2      GLN   3  -1.752  -2.967  21.983
   18    HB3  GLN   3           HB1      GLN   3  -0.931  -2.948  20.421
   19    HG2  GLN   3           HG2      GLN   3   0.688  -2.254  22.047
   20    HG3  GLN   3           HG1      GLN   3   0.208  -0.804  21.167
   21   HE21  GLN   3          HE21      GLN   3  -0.173  -2.526  24.261
   22   HE22  GLN   3          HE22      GLN   3  -0.780  -1.191  25.115
   23    H    ILE   4           HN       ILE   4  -4.853  -1.167  20.889
   24    HA   ILE   4           HA       ILE   4  -5.445  -3.436  19.156
   25    HB   ILE   4           HB       ILE   4  -7.236  -1.707  20.781
   26   HG12  ILE   4          HG12      ILE   4  -6.422  -4.571  21.246
   27   HG13  ILE   4          HG11      ILE   4  -5.591  -3.211  21.998
   28   HG21  ILE   4          HG21      ILE   4  -8.877  -3.581  20.360
   29   HG22  ILE   4          HG22      ILE   4  -7.742  -4.196  19.158
   30   HG23  ILE   4          HG23      ILE   4  -8.490  -2.615  18.938
   31   HD11  ILE   4          HD11      ILE   4  -7.570  -2.533  23.169
   32   HD12  ILE   4          HD12      ILE   4  -7.422  -4.274  23.408
   33   HD13  ILE   4          HD13      ILE   4  -8.576  -3.640  22.236
   34    H    PHE   5           HN       PHE   5  -6.115  -3.272  17.099
   35    HA   PHE   5           HA       PHE   5  -6.133  -0.705  15.814
   36    HB2  PHE   5           HB2      PHE   5  -6.552  -3.554  14.970
   37    HB3  PHE   5           HB1      PHE   5  -7.113  -2.279  13.888
   38    HD1  PHE   5           HD2      PHE   5  -4.128  -2.635  16.145
   39    HD2  PHE   5           HD1      PHE   5  -5.582  -1.909  12.170
   40    HE1  PHE   5           HE2      PHE   5  -1.807  -2.272  15.364
   41    HE2  PHE   5           HE1      PHE   5  -3.261  -1.540  11.390
   42    HZ   PHE   5           HZ       PHE   5  -1.372  -1.724  12.985
   43    H    THR   6           HN       THR   6  -7.827   0.472  15.031
   44    HA   THR   6           HA       THR   6 -10.330   0.217  16.388
   45    HB   THR   6           HB       THR   6  -9.817   1.935  13.964
   46    HG1  THR   6           HG1      THR   6  -8.927   2.175  16.625
   47   HG21  THR   6          HG21      THR   6 -11.514   3.321  14.868
   48   HG22  THR   6          HG22      THR   6 -11.418   2.545  16.448
   49   HG23  THR   6          HG23      THR   6 -12.123   1.680  15.082
   50    H    VAL   7           HN       VAL   7 -12.347  -0.338  15.568
   51    HA   VAL   7           HA       VAL   7 -12.429  -2.437  13.690
   52    HB   VAL   7           HB       VAL   7 -14.114  -2.135  15.472
   53   HG11  VAL   7          HG11      VAL   7 -15.727  -0.379  15.395
   54   HG12  VAL   7          HG12      VAL   7 -15.239   0.097  13.769
   55   HG13  VAL   7          HG13      VAL   7 -14.169   0.404  15.137
   56   HG21  VAL   7          HG21      VAL   7 -14.577  -3.380  13.299
   57   HG22  VAL   7          HG22      VAL   7 -15.421  -1.936  12.747
   58   HG23  VAL   7          HG23      VAL   7 -16.006  -2.813  14.157
   59    H    GLN   8           HN       GLN   8 -13.032   1.023  13.402
   60    HA   GLN   8           HA       GLN   8 -14.186   1.053  10.843
   61    HB2  GLN   8           HB2      GLN   8 -14.153   3.021  12.306
   62    HB3  GLN   8           HB1      GLN   8 -12.400   3.121  12.145
   63    HG2  GLN   8           HG2      GLN   8 -12.583   3.542   9.763
   64    HG3  GLN   8           HG1      GLN   8 -14.322   3.256   9.807
   65   HE21  GLN   8          HE21      GLN   8 -13.186   5.744   8.886
   66   HE22  GLN   8          HE22      GLN   8 -13.637   6.959   9.982
   67    H    GLU   9           HN       GLU   9 -10.792   1.114  11.867
   68    HA   GLU   9           HA       GLU   9  -9.683   1.470   9.280
   69    HB2  GLU   9           HB2      GLU   9  -8.555   0.296  11.827
   70    HB3  GLU   9           HB1      GLU   9  -7.598   0.533  10.363
   71    HG2  GLU   9           HG2      GLU   9  -8.081   2.930  10.400
   72    HG3  GLU   9           HG1      GLU   9  -9.123   2.721  11.806
   73    H    LEU  10           HN       LEU  10 -10.287  -1.435  11.241
   74    HA   LEU  10           HA       LEU  10  -9.286  -3.278   9.322
   75    HB2  LEU  10           HB2      LEU  10 -11.252  -3.661  11.594
   76    HB3  LEU  10           HB1      LEU  10 -10.513  -4.969  10.675
   77    HG   LEU  10           HG       LEU  10  -8.936  -2.861  12.181
   78   HD11  LEU  10          HD11      LEU  10  -8.514  -4.664  13.832
   79   HD12  LEU  10          HD12      LEU  10  -9.639  -5.706  12.963
   80   HD13  LEU  10          HD13      LEU  10 -10.225  -4.242  13.752
   81   HD21  LEU  10          HD21      LEU  10  -7.212  -4.861  11.911
   82   HD22  LEU  10          HD22      LEU  10  -7.459  -3.727  10.596
   83   HD23  LEU  10          HD23      LEU  10  -8.243  -5.305  10.558
   84    H    LYS  11           HN       LYS  11 -12.459  -1.886   9.925
   85    HA   LYS  11           HA       LYS  11 -14.004  -3.566   8.303
   86    HB2  LYS  11           HB2      LYS  11 -14.908  -1.839   9.862
   87    HB3  LYS  11           HB1      LYS  11 -14.387  -0.597   8.724
   88    HG2  LYS  11           HG2      LYS  11 -15.854  -1.445   7.011
   89    HG3  LYS  11           HG1      LYS  11 -16.244  -2.868   7.972
   90    HD2  LYS  11           HD2      LYS  11 -18.082  -1.317   8.197
   91    HD3  LYS  11           HD1      LYS  11 -17.200  -1.326   9.725
   92    HE2  LYS  11           HE2      LYS  11 -16.178   0.760   9.280
   93    HE3  LYS  11           HE1      LYS  11 -16.564   0.686   7.562
   94    HZ1  LYS  11           HZ1      LYS  11 -18.244   2.007   8.190
   95    HZ2  LYS  11           HZ2      LYS  11 -18.218   1.482   9.806
   96    HZ3  LYS  11           HZ3      LYS  11 -18.992   0.546   8.618
   97    H    GLU  12           HN       GLU  12 -12.200  -0.615   7.490
   98    HA   GLU  12           HA       GLU  12 -13.002  -0.484   4.778
   99    HB2  GLU  12           HB2      GLU  12 -10.551   0.569   6.202
  100    HB3  GLU  12           HB1      GLU  12 -10.936   0.935   4.519
  101    HG2  GLU  12           HG2      GLU  12 -13.074   1.921   5.194
  102    HG3  GLU  12           HG1      GLU  12 -12.758   1.499   6.876
  103    H    ARG  13           HN       ARG  13 -10.232  -2.013   6.383
  104    HA   ARG  13           HA       ARG  13  -8.986  -2.906   3.974
  105    HB2  ARG  13           HB2      ARG  13  -8.714  -3.793   6.852
  106    HB3  ARG  13           HB1      ARG  13  -7.719  -4.422   5.536
  107    HG2  ARG  13           HG2      ARG  13  -6.893  -2.181   5.036
  108    HG3  ARG  13           HG1      ARG  13  -7.957  -1.487   6.260
  109    HD2  ARG  13           HD2      ARG  13  -5.725  -1.710   7.199
  110    HD3  ARG  13           HD1      ARG  13  -6.796  -2.864   7.988
  111    HE   ARG  13           HE       ARG  13  -5.536  -4.091   5.761
  112   HH11  ARG  13          HH21      ARG  13  -4.934  -2.893   8.950
  113   HH12  ARG  13          HH22      ARG  13  -3.630  -3.990   9.266
  114   HH21  ARG  13          HH11      ARG  13  -3.828  -5.532   6.166
  115   HH22  ARG  13          HH12      ARG  13  -3.004  -5.483   7.689
  116    H    ALA  14           HN       ALA  14 -11.258  -4.359   6.263
  117    HA   ALA  14           HA       ALA  14 -11.243  -6.940   5.014
  118    HB1  ALA  14           HB1      ALA  14 -13.253  -5.688   6.899
  119    HB2  ALA  14           HB2      ALA  14 -11.863  -6.663   7.374
  120    HB3  ALA  14           HB3      ALA  14 -13.184  -7.395   6.462
  121    H    LYS  15           HN       LYS  15 -12.565  -3.970   4.145
  122    HA   LYS  15           HA       LYS  15 -15.042  -4.694   3.046
  123    HB2  LYS  15           HB2      LYS  15 -14.222  -2.348   3.357
  124    HB3  LYS  15           HB1      LYS  15 -13.132  -2.590   2.003
  125    HG2  LYS  15           HG2      LYS  15 -14.979  -1.612   0.949
  126    HG3  LYS  15           HG1      LYS  15 -15.306  -3.318   0.706
  127    HD2  LYS  15           HD2      LYS  15 -16.833  -3.372   2.585
  128    HD3  LYS  15           HD1      LYS  15 -16.407  -1.724   3.034
  129    HE2  LYS  15           HE2      LYS  15 -17.298  -0.908   0.901
  130    HE3  LYS  15           HE1      LYS  15 -17.726  -2.555   0.444
  131    HZ1  LYS  15           HZ1      LYS  15 -18.693  -1.538   3.012
  132    HZ2  LYS  15           HZ2      LYS  15 -19.419  -2.638   1.942
  133    HZ3  LYS  15           HZ3      LYS  15 -19.450  -0.973   1.603
  134    H    VAL  16           HN       VAL  16 -11.786  -4.699   1.643
  135    HA   VAL  16           HA       VAL  16 -10.989  -5.535  -0.354
  136    HB   VAL  16           HB       VAL  16 -13.016  -7.674   0.346
  137   HG11  VAL  16          HG11      VAL  16 -10.673  -7.580  -1.563
  138   HG12  VAL  16          HG12      VAL  16 -12.342  -8.025  -1.917
  139   HG13  VAL  16          HG13      VAL  16 -11.328  -9.098  -0.952
  140   HG21  VAL  16          HG21      VAL  16 -11.437  -7.273   2.164
  141   HG22  VAL  16          HG22      VAL  16 -10.084  -7.322   1.034
  142   HG23  VAL  16          HG23      VAL  16 -11.019  -8.783   1.354
  143    H    PHE  17           HN       PHE  17 -14.110  -7.031  -0.888
  144    HA   PHE  17           HA       PHE  17 -14.946  -4.979  -2.787
  145    HB2  PHE  17           HB2      PHE  17 -13.449  -6.347  -4.148
  146    HB3  PHE  17           HB1      PHE  17 -14.304  -7.808  -3.655
  147    HD1  PHE  17           HD1      PHE  17 -14.847  -4.483  -5.292
  148    HD2  PHE  17           HD2      PHE  17 -16.179  -8.545  -4.873
  149    HE1  PHE  17           HE1      PHE  17 -16.489  -4.134  -7.117
  150    HE2  PHE  17           HE2      PHE  17 -17.821  -8.195  -6.697
  151    HZ   PHE  17           HZ       PHE  17 -17.976  -5.989  -7.819
  152    H    ALA  18           HN       ALA  18 -17.084  -5.544  -3.761
  153    HA   ALA  18           HA       ALA  18 -19.311  -6.000  -3.410
  154    HB1  ALA  18           HB1      ALA  18 -18.269  -8.608  -2.284
  155    HB2  ALA  18           HB2      ALA  18 -18.408  -8.271  -4.010
  156    HB3  ALA  18           HB3      ALA  18 -19.853  -8.311  -3.000
  157    H    LYS  19           HN       LYS  19 -20.939  -6.803  -1.675
  158    HA   LYS  19           HA       LYS  19 -19.982  -6.075   0.983
  159    HB2  LYS  19           HB2      LYS  19 -22.463  -5.029  -0.296
  160    HB3  LYS  19           HB1      LYS  19 -22.025  -4.800   1.396
  161    HG2  LYS  19           HG2      LYS  19 -21.062  -2.872   0.557
  162    HG3  LYS  19           HG1      LYS  19 -19.707  -3.955   0.271
  163    HD2  LYS  19           HD2      LYS  19 -20.734  -4.419  -2.019
  164    HD3  LYS  19           HD1      LYS  19 -21.807  -3.065  -1.709
  165    HE2  LYS  19           HE2      LYS  19 -18.783  -2.925  -1.629
  166    HE3  LYS  19           HE1      LYS  19 -19.777  -2.396  -2.985
  167    HZ1  LYS  19           HZ1      LYS  19 -19.839  -1.321  -0.219
  168    HZ2  LYS  19           HZ2      LYS  19 -20.915  -0.867  -1.454
  169    HZ3  LYS  19           HZ3      LYS  19 -19.257  -0.527  -1.600
  170    HA   PRO  20           HA       PRO  20 -22.291  -9.912   1.611
  171    HB2  PRO  20           HB2      PRO  20 -21.347 -10.445   4.120
  172    HB3  PRO  20           HB1      PRO  20 -20.400 -10.748   2.651
  173    HG2  PRO  20           HG2      PRO  20 -20.202  -8.509   4.608
  174    HG3  PRO  20           HG1      PRO  20 -18.920  -9.346   3.715
  175    HD2  PRO  20           HD2      PRO  20 -19.962  -6.877   3.032
  176    HD3  PRO  20           HD1      PRO  20 -19.113  -7.972   1.896
  177    H    ILE  21           HN       ILE  21 -24.253 -10.330   2.533
  178    HA   ILE  21           HA       ILE  21 -25.457  -8.200   4.153
  179    HB   ILE  21           HB       ILE  21 -26.647  -9.116   2.162
  180   HG12  ILE  21          HG12      ILE  21 -28.083  -9.773   4.750
  181   HG13  ILE  21          HG11      ILE  21 -27.793  -8.114   4.205
  182   HG21  ILE  21          HG21      ILE  21 -27.093 -11.598   3.827
  183   HG22  ILE  21          HG22      ILE  21 -25.782 -11.498   2.650
  184   HG23  ILE  21          HG23      ILE  21 -27.457 -11.345   2.122
  185   HD11  ILE  21          HD11      ILE  21 -30.019  -8.837   3.489
  186   HD12  ILE  21          HD12      ILE  21 -29.328 -10.252   2.696
  187   HD13  ILE  21          HD13      ILE  21 -28.978  -8.637   2.080
  188    H    GLY  22           HN       GLY  22 -25.739  -8.356   6.279
  189    HA2  GLY  22           HA2      GLY  22 -25.471  -9.211   8.419
  190    HA3  GLY  22           HA1      GLY  22 -26.605 -10.416   7.819
  191    H    ALA  23           HN       ALA  23 -25.950 -12.457   7.995
  192    HA   ALA  23           HA       ALA  23 -24.573 -14.311   7.822
  193    HB1  ALA  23           HB1      ALA  23 -23.264 -12.664   6.184
  194    HB2  ALA  23           HB2      ALA  23 -22.539 -14.179   6.723
  195    HB3  ALA  23           HB3      ALA  23 -22.088 -12.663   7.498
  196    H    SER  24           HN       SER  24 -23.091 -15.424   9.216
  197    HA   SER  24           HA       SER  24 -23.034 -14.302  11.885
  198    HB2  SER  24           HB2      SER  24 -22.199 -16.493  12.555
  199    HB3  SER  24           HB1      SER  24 -23.598 -16.675  11.500
  200    HG   SER  24           HG       SER  24 -22.364 -17.670  10.131
  201    H    TYR  25           HN       TYR  25 -20.966 -14.299   9.210
  202    HA   TYR  25           HA       TYR  25 -18.439 -14.456  10.498
  203    HB2  TYR  25           HB2      TYR  25 -19.326 -13.234   7.881
  204    HB3  TYR  25           HB1      TYR  25 -17.641 -13.263   8.403
  205    HD1  TYR  25           HD2      TYR  25 -20.512 -15.306   7.322
  206    HD2  TYR  25           HD1      TYR  25 -16.398 -15.356   8.555
  207    HE1  TYR  25           HE2      TYR  25 -20.299 -17.641   6.514
  208    HE2  TYR  25           HE1      TYR  25 -16.185 -17.692   7.747
  209    HH   TYR  25           HH       TYR  25 -17.188 -19.271   6.409
  210    H    GLN  26           HN       GLN  26 -20.835 -12.004  10.345
  211    HA   GLN  26           HA       GLN  26 -19.239  -9.691  10.625
  212    HB2  GLN  26           HB2      GLN  26 -22.060 -10.338  11.485
  213    HB3  GLN  26           HB1      GLN  26 -21.337  -8.748  11.727
  214    HG2  GLN  26           HG2      GLN  26 -20.910  -8.550   9.324
  215    HG3  GLN  26           HG1      GLN  26 -21.568 -10.162   9.058
  216   HE21  GLN  26          HE21      GLN  26 -23.557  -9.242  11.403
  217   HE22  GLN  26          HE22      GLN  26 -24.751  -8.413  10.528
  218    H    GLY  27           HN       GLY  27 -20.046 -12.227  12.827
  219    HA2  GLY  27           HA2      GLY  27 -19.791 -10.940  15.301
  220    HA3  GLY  27           HA1      GLY  27 -19.442 -12.633  15.008
  221    H    ILE  28           HN       ILE  28 -17.405 -11.872  12.948
  222    HA   ILE  28           HA       ILE  28 -15.134 -11.829  14.674
  223    HB   ILE  28           HB       ILE  28 -15.216 -11.319  11.689
  224   HG12  ILE  28          HG12      ILE  28 -16.393 -13.399  12.183
  225   HG13  ILE  28          HG11      ILE  28 -14.807 -13.784  11.516
  226   HG21  ILE  28          HG21      ILE  28 -13.056 -10.799  12.681
  227   HG22  ILE  28          HG22      ILE  28 -12.919 -12.343  11.837
  228   HG23  ILE  28          HG23      ILE  28 -13.073 -12.309  13.593
  229   HD11  ILE  28          HD11      ILE  28 -14.907 -15.209  13.368
  230   HD12  ILE  28          HD12      ILE  28 -15.782 -14.038  14.347
  231   HD13  ILE  28          HD13      ILE  28 -14.062 -13.829  14.044
  232    H    LEU  29           HN       LEU  29 -16.667  -9.413  12.592
  233    HA   LEU  29           HA       LEU  29 -14.711  -7.410  13.375
  234    HB2  LEU  29           HB2      LEU  29 -15.602  -7.577  11.033
  235    HB3  LEU  29           HB1      LEU  29 -17.173  -7.085  11.651
  236    HG   LEU  29           HG       LEU  29 -16.046  -5.029  12.614
  237   HD11  LEU  29          HD11      LEU  29 -13.752  -5.478  12.703
  238   HD12  LEU  29          HD12      LEU  29 -13.850  -4.523  11.236
  239   HD13  LEU  29          HD13      LEU  29 -13.736  -6.274  11.131
  240   HD21  LEU  29          HD21      LEU  29 -15.908  -3.881  10.411
  241   HD22  LEU  29          HD22      LEU  29 -17.346  -4.891  10.557
  242   HD23  LEU  29          HD23      LEU  29 -15.963  -5.455   9.618
  243    H    ASP  30           HN       ASP  30 -18.092  -8.197  13.923
  244    HA   ASP  30           HA       ASP  30 -18.861  -5.821  15.221
  245    HB2  ASP  30           HB2      ASP  30 -19.849  -8.651  15.244
  246    HB3  ASP  30           HB1      ASP  30 -20.513  -7.516  16.410
  247    H    GLN  31           HN       GLN  31 -17.217  -8.697  16.399
  248    HA   GLN  31           HA       GLN  31 -17.436  -8.161  19.159
  249    HB2  GLN  31           HB2      GLN  31 -16.697 -10.333  18.077
  250    HB3  GLN  31           HB1      GLN  31 -15.131  -9.571  17.838
  251    HG2  GLN  31           HG2      GLN  31 -14.978 -10.768  19.900
  252    HG3  GLN  31           HG1      GLN  31 -15.146  -9.068  20.333
  253   HE21  GLN  31          HE21      GLN  31 -16.303  -9.262  22.306
  254   HE22  GLN  31          HE22      GLN  31 -17.822 -10.005  22.430
  255    H    LEU  32           HN       LEU  32 -15.075  -7.182  16.716
  256    HA   LEU  32           HA       LEU  32 -13.168  -6.051  18.440
  257    HB2  LEU  32           HB2      LEU  32 -13.938  -5.639  15.570
  258    HB3  LEU  32           HB1      LEU  32 -12.798  -4.513  16.296
  259    HG   LEU  32           HG       LEU  32 -12.338  -7.472  16.663
  260   HD11  LEU  32          HD11      LEU  32 -11.897  -5.872  14.145
  261   HD12  LEU  32          HD12      LEU  32 -12.597  -7.480  14.324
  262   HD13  LEU  32          HD13      LEU  32 -10.869  -7.248  14.547
  263   HD21  LEU  32          HD21      LEU  32 -10.528  -5.063  16.329
  264   HD22  LEU  32          HD22      LEU  32  -9.993  -6.705  16.679
  265   HD23  LEU  32          HD23      LEU  32 -10.946  -5.820  17.863
  266    H    ASP  33           HN       ASP  33 -16.046  -4.641  16.935
  267    HA   ASP  33           HA       ASP  33 -15.654  -1.997  17.852
  268    HB2  ASP  33           HB2      ASP  33 -17.272  -2.573  16.093
  269    HB3  ASP  33           HB1      ASP  33 -18.243  -3.454  17.268
  270    H    LEU  34           HN       LEU  34 -17.208  -4.818  19.302
  271    HA   LEU  34           HA       LEU  34 -18.338  -3.500  21.529
  272    HB2  LEU  34           HB2      LEU  34 -17.460  -6.363  21.106
  273    HB3  LEU  34           HB1      LEU  34 -18.296  -5.819  22.558
  274    HG   LEU  34           HG       LEU  34 -19.368  -5.470  19.740
  275   HD11  LEU  34          HD11      LEU  34 -19.171  -7.881  20.659
  276   HD12  LEU  34          HD12      LEU  34 -20.755  -7.359  20.101
  277   HD13  LEU  34          HD13      LEU  34 -20.396  -7.399  21.826
  278   HD21  LEU  34          HD21      LEU  34 -20.520  -3.870  20.950
  279   HD22  LEU  34          HD22      LEU  34 -20.308  -4.703  22.489
  280   HD23  LEU  34          HD23      LEU  34 -21.524  -5.254  21.345
  281    H    VAL  35           HN       VAL  35 -15.178  -4.937  20.983
  282    HA   VAL  35           HA       VAL  35 -14.220  -4.822  23.620
  283    HB   VAL  35           HB       VAL  35 -12.785  -4.656  20.963
  284   HG11  VAL  35          HG11      VAL  35 -11.280  -3.635  22.497
  285   HG12  VAL  35          HG12      VAL  35 -10.772  -5.323  22.434
  286   HG13  VAL  35          HG13      VAL  35 -11.730  -4.740  23.799
  287   HG21  VAL  35          HG21      VAL  35 -13.928  -6.779  21.445
  288   HG22  VAL  35          HG22      VAL  35 -13.142  -6.866  23.018
  289   HG23  VAL  35          HG23      VAL  35 -12.185  -6.996  21.539
  290    H    HIS  36           HN       HIS  36 -14.157  -2.424  21.010
  291    HA   HIS  36           HA       HIS  36 -12.656  -0.497  22.506
  292    HB2  HIS  36           HB2      HIS  36 -14.352  -0.271  20.008
  293    HB3  HIS  36           HB1      HIS  36 -13.413   1.063  20.677
  294    HD2  HIS  36           HD2      HIS  36 -10.643   0.915  20.198
  295    HE1  HIS  36           HE1      HIS  36 -10.691  -2.786  18.165
  296    HE2  HIS  36           HE2      HIS  36  -9.245  -0.797  18.807
  297    H    GLN  37           HN       GLN  37 -16.083  -1.116  21.947
  298    HA   GLN  37           HA       GLN  37 -16.906   1.293  23.348
  299    HB2  GLN  37           HB2      GLN  37 -18.214   0.393  21.443
  300    HB3  GLN  37           HB1      GLN  37 -18.558  -1.056  22.389
  301    HG2  GLN  37           HG2      GLN  37 -19.667   0.319  24.109
  302    HG3  GLN  37           HG1      GLN  37 -19.304   1.773  23.184
  303   HE21  GLN  37          HE21      GLN  37 -21.060   2.451  21.961
  304   HE22  GLN  37          HE22      GLN  37 -22.235   1.426  21.288
  305    H    ALA  38           HN       ALA  38 -16.298  -2.035  24.081
  306    HA   ALA  38           HA       ALA  38 -17.831  -2.101  26.515
  307    HB1  ALA  38           HB1      ALA  38 -17.430  -4.183  25.355
  308    HB2  ALA  38           HB2      ALA  38 -16.589  -4.241  26.903
  309    HB3  ALA  38           HB3      ALA  38 -15.684  -3.933  25.423
  310    H    LYS  39           HN       LYS  39 -16.950  -2.266  28.644
  311    HA   LYS  39           HA       LYS  39 -14.182  -1.522  29.101
  312    HB2  LYS  39           HB2      LYS  39 -15.245   0.423  30.664
  313    HB3  LYS  39           HB1      LYS  39 -14.704   0.716  29.013
  314    HG2  LYS  39           HG2      LYS  39 -16.958   1.616  29.344
  315    HG3  LYS  39           HG1      LYS  39 -17.011   0.297  28.193
  316    HD2  LYS  39           HD2      LYS  39 -17.964  -1.197  29.746
  317    HD3  LYS  39           HD1      LYS  39 -17.474  -0.212  31.132
  318    HE2  LYS  39           HE2      LYS  39 -19.518   0.601  29.049
  319    HE3  LYS  39           HE1      LYS  39 -19.906  -0.037  30.647
  320    HZ1  LYS  39           HZ1      LYS  39 -18.830   2.568  29.894
  321    HZ2  LYS  39           HZ2      LYS  39 -18.252   1.889  31.339
  322    HZ3  LYS  39           HZ3      LYS  39 -19.916   2.159  31.131
  323    H    GLY  40           HN       GLY  40 -13.475  -2.133  31.094
  324    HA2  GLY  40           HA2      GLY  40 -13.635  -2.799  33.338
  325    HA3  GLY  40           HA1      GLY  40 -15.389  -2.815  33.198
  326    H    ARG  41           HN       ARG  41 -15.884  -4.840  33.859
  327    HA   ARG  41           HA       ARG  41 -14.369  -7.161  33.323
  328    HB2  ARG  41           HB2      ARG  41 -16.029  -6.977  35.157
  329    HB3  ARG  41           HB1      ARG  41 -17.321  -6.968  33.956
  330    HG2  ARG  41           HG2      ARG  41 -16.530  -9.190  33.135
  331    HG3  ARG  41           HG1      ARG  41 -15.315  -9.196  34.410
  332    HD2  ARG  41           HD2      ARG  41 -17.167  -8.972  36.084
  333    HD3  ARG  41           HD1      ARG  41 -18.321  -9.137  34.762
  334    HE   ARG  41           HE       ARG  41 -16.407 -11.292  34.852
  335   HH11  ARG  41          HH21      ARG  41 -19.356 -10.022  36.142
  336   HH12  ARG  41          HH22      ARG  41 -19.986 -11.571  36.598
  337   HH21  ARG  41          HH11      ARG  41 -17.226 -13.326  35.445
  338   HH22  ARG  41          HH12      ARG  41 -18.779 -13.440  36.203
  339    H    ASP  42           HN       ASP  42 -17.121  -5.679  31.671
  340    HA   ASP  42           HA       ASP  42 -17.683  -7.768  29.882
  341    HB2  ASP  42           HB2      ASP  42 -18.862  -6.111  28.569
  342    HB3  ASP  42           HB1      ASP  42 -19.132  -5.779  30.281
  343    H    GLN  43           HN       GLN  43 -15.125  -5.433  29.941
  344    HA   GLN  43           HA       GLN  43 -14.410  -5.524  27.191
  345    HB2  GLN  43           HB2      GLN  43 -13.648  -3.751  28.738
  346    HB3  GLN  43           HB1      GLN  43 -12.661  -4.933  29.586
  347    HG2  GLN  43           HG2      GLN  43 -11.338  -5.350  27.601
  348    HG3  GLN  43           HG1      GLN  43 -12.401  -4.328  26.632
  349   HE21  GLN  43          HE21      GLN  43  -9.626  -3.741  26.784
  350   HE22  GLN  43          HE22      GLN  43  -9.420  -2.302  27.660
  351    H    ILE  44           HN       ILE  44 -13.475  -7.420  30.005
  352    HA   ILE  44           HA       ILE  44 -11.400  -8.894  28.786
  353    HB   ILE  44           HB       ILE  44 -13.148  -9.459  31.165
  354   HG12  ILE  44          HG12      ILE  44 -10.979  -9.056  32.337
  355   HG13  ILE  44          HG11      ILE  44 -10.247  -8.652  30.791
  356   HG21  ILE  44          HG21      ILE  44 -11.336 -11.237  31.626
  357   HG22  ILE  44          HG22      ILE  44 -10.972 -11.122  29.903
  358   HG23  ILE  44          HG23      ILE  44 -12.576 -11.629  30.435
  359   HD11  ILE  44          HD11      ILE  44 -11.176  -6.725  32.293
  360   HD12  ILE  44          HD12      ILE  44 -12.743  -7.235  31.684
  361   HD13  ILE  44          HD13      ILE  44 -11.496  -6.695  30.565
  362    H    ALA  45           HN       ALA  45 -14.867  -9.508  29.173
  363    HA   ALA  45           HA       ALA  45 -14.977 -12.103  28.172
  364    HB1  ALA  45           HB1      ALA  45 -17.335 -11.477  27.484
  365    HB2  ALA  45           HB2      ALA  45 -16.967  -9.833  28.003
  366    HB3  ALA  45           HB3      ALA  45 -16.936 -11.154  29.171
  367    H    ALA  46           HN       ALA  46 -15.455  -9.056  26.364
  368    HA   ALA  46           HA       ALA  46 -15.632 -10.263  23.811
  369    HB1  ALA  46           HB1      ALA  46 -14.787  -7.462  24.578
  370    HB2  ALA  46           HB2      ALA  46 -16.435  -7.988  24.237
  371    HB3  ALA  46           HB3      ALA  46 -15.225  -7.988  22.956
  372    H    SER  47           HN       SER  47 -12.910  -8.886  25.610
  373    HA   SER  47           HA       SER  47 -11.008  -9.143  23.559
  374    HB2  SER  47           HB2      SER  47 -10.856  -8.895  26.530
  375    HB3  SER  47           HB1      SER  47  -9.396  -9.249  25.634
  376    HG   SER  47           HG       SER  47  -9.380  -7.268  24.944
  377    H    PHE  48           HN       PHE  48 -11.758 -11.281  26.293
  378    HA   PHE  48           HA       PHE  48  -9.903 -13.299  25.616
  379    HB2  PHE  48           HB2      PHE  48 -10.888 -13.133  27.854
  380    HB3  PHE  48           HB1      PHE  48 -12.480 -13.501  27.193
  381    HD1  PHE  48           HD2      PHE  48  -9.014 -14.856  27.536
  382    HD2  PHE  48           HD1      PHE  48 -13.163 -15.742  26.862
  383    HE1  PHE  48           HE2      PHE  48  -8.527 -17.281  27.715
  384    HE2  PHE  48           HE1      PHE  48 -12.675 -18.166  27.041
  385    HZ   PHE  48           HZ       PHE  48 -10.357 -18.936  27.467
  386    H    GLU  49           HN       GLU  49 -13.374 -12.945  24.945
  387    HA   GLU  49           HA       GLU  49 -13.655 -15.401  23.558
  388    HB2  GLU  49           HB2      GLU  49 -15.521 -13.983  24.525
  389    HB3  GLU  49           HB1      GLU  49 -15.321 -12.920  23.132
  390    HG2  GLU  49           HG2      GLU  49 -15.726 -14.829  21.622
  391    HG3  GLU  49           HG1      GLU  49 -15.943 -15.883  23.010
  392    H    LEU  50           HN       LEU  50 -12.839 -12.129  22.531
  393    HA   LEU  50           HA       LEU  50 -13.038 -12.515  19.768
  394    HB2  LEU  50           HB2      LEU  50 -12.801 -10.281  20.682
  395    HB3  LEU  50           HB1      LEU  50 -11.224 -10.685  21.363
  396    HG   LEU  50           HG       LEU  50 -10.294 -10.979  19.120
  397   HD11  LEU  50          HD11      LEU  50 -13.184 -10.675  18.330
  398   HD12  LEU  50          HD12      LEU  50 -12.003 -11.861  17.788
  399   HD13  LEU  50          HD13      LEU  50 -11.920 -10.212  17.196
  400   HD21  LEU  50          HD21      LEU  50 -10.618  -8.646  20.196
  401   HD22  LEU  50          HD22      LEU  50 -11.903  -8.432  19.007
  402   HD23  LEU  50          HD23      LEU  50 -10.246  -8.717  18.474
  403    H    ASN  51           HN       ASN  51 -10.403 -13.139  22.029
  404    HA   ASN  51           HA       ASN  51  -8.358 -13.692  20.199
  405    HB2  ASN  51           HB2      ASN  51  -7.926 -13.481  22.590
  406    HB3  ASN  51           HB1      ASN  51  -8.894 -14.918  22.917
  407   HD21  ASN  51          HD21      ASN  51  -8.070 -16.880  21.349
  408   HD22  ASN  51          HD22      ASN  51  -6.388 -17.106  21.378
  409    H    LYS  52           HN       LYS  52 -10.878 -15.798  21.543
  410    HA   LYS  52           HA       LYS  52  -9.979 -18.196  20.335
  411    HB2  LYS  52           HB2      LYS  52 -12.686 -17.315  21.316
  412    HB3  LYS  52           HB1      LYS  52 -12.371 -18.936  20.701
  413    HG2  LYS  52           HG2      LYS  52 -10.524 -19.151  22.398
  414    HG3  LYS  52           HG1      LYS  52 -11.026 -17.603  23.070
  415    HD2  LYS  52           HD2      LYS  52 -12.986 -19.883  22.731
  416    HD3  LYS  52           HD1      LYS  52 -11.982 -19.742  24.170
  417    HE2  LYS  52           HE2      LYS  52 -12.862 -17.399  24.466
  418    HE3  LYS  52           HE1      LYS  52 -13.988 -17.713  23.147
  419    HZ1  LYS  52           HZ1      LYS  52 -15.293 -18.880  24.474
  420    HZ2  LYS  52           HZ2      LYS  52 -14.379 -18.290  25.779
  421    HZ3  LYS  52           HZ3      LYS  52 -14.004 -19.795  25.088
  422    H    LYS  53           HN       LYS  53 -12.212 -15.667  19.280
  423    HA   LYS  53           HA       LYS  53 -13.193 -16.939  16.976
  424    HB2  LYS  53           HB2      LYS  53 -12.830 -14.036  17.707
  425    HB3  LYS  53           HB1      LYS  53 -13.540 -14.523  16.177
  426    HG2  LYS  53           HG2      LYS  53 -15.250 -15.822  17.394
  427    HG3  LYS  53           HG1      LYS  53 -14.544 -15.300  18.924
  428    HD2  LYS  53           HD2      LYS  53 -14.968 -12.934  18.281
  429    HD3  LYS  53           HD1      LYS  53 -15.748 -13.497  16.803
  430    HE2  LYS  53           HE2      LYS  53 -16.625 -14.289  19.580
  431    HE3  LYS  53           HE1      LYS  53 -17.358 -12.989  18.656
  432    HZ1  LYS  53           HZ1      LYS  53 -18.106 -15.588  18.566
  433    HZ2  LYS  53           HZ2      LYS  53 -17.110 -15.451  17.196
  434    HZ3  LYS  53           HZ3      LYS  53 -18.456 -14.430  17.376
  435    H    ILE  54           HN       ILE  54 -10.377 -14.816  17.433
  436    HA   ILE  54           HA       ILE  54  -9.592 -14.767  14.713
  437    HB   ILE  54           HB       ILE  54  -8.015 -14.358  17.265
  438   HG12  ILE  54          HG12      ILE  54  -8.964 -12.336  15.220
  439   HG13  ILE  54          HG11      ILE  54  -9.920 -12.770  16.633
  440   HG21  ILE  54          HG21      ILE  54  -6.493 -13.094  15.503
  441   HG22  ILE  54          HG22      ILE  54  -7.231 -14.214  14.360
  442   HG23  ILE  54          HG23      ILE  54  -6.317 -14.838  15.731
  443   HD11  ILE  54          HD11      ILE  54  -8.618 -10.797  17.177
  444   HD12  ILE  54          HD12      ILE  54  -7.138 -11.568  16.618
  445   HD13  ILE  54          HD13      ILE  54  -7.945 -12.161  18.069
  446    H    ASN  55           HN       ASN  55  -8.593 -16.811  17.446
  447    HA   ASN  55           HA       ASN  55  -6.665 -18.314  16.030
  448    HB2  ASN  55           HB2      ASN  55  -8.298 -18.844  18.514
  449    HB3  ASN  55           HB1      ASN  55  -7.174 -20.046  17.880
  450   HD21  ASN  55          HD21      ASN  55  -6.827 -18.694  20.439
  451   HD22  ASN  55          HD22      ASN  55  -5.406 -17.771  20.328
  452    H    ASP  56           HN       ASP  56 -10.115 -18.882  16.669
  453    HA   ASP  56           HA       ASP  56 -10.257 -21.392  15.364
  454    HB2  ASP  56           HB2      ASP  56 -12.339 -19.318  16.044
  455    HB3  ASP  56           HB1      ASP  56 -12.743 -20.842  15.257
  456    H    TYR  57           HN       TYR  57 -10.813 -18.078  14.264
  457    HA   TYR  57           HA       TYR  57 -11.830 -18.641  11.720
  458    HB2  TYR  57           HB2      TYR  57 -11.784 -16.382  12.776
  459    HB3  TYR  57           HB1      TYR  57 -10.044 -16.322  12.494
  460    HD1  TYR  57           HD1      TYR  57 -13.278 -16.903  10.692
  461    HD2  TYR  57           HD2      TYR  57  -9.230 -15.487  10.454
  462    HE1  TYR  57           HE1      TYR  57 -13.688 -16.120   8.374
  463    HE2  TYR  57           HE2      TYR  57  -9.640 -14.705   8.139
  464    HH   TYR  57           HH       TYR  57 -11.953 -13.969   6.830
  465    H    ILE  58           HN       ILE  58  -8.473 -18.258  12.816
  466    HA   ILE  58           HA       ILE  58  -7.258 -18.516  10.279
  467    HB   ILE  58           HB       ILE  58  -6.231 -19.139  13.061
  468   HG12  ILE  58          HG12      ILE  58  -5.554 -16.825  11.227
  469   HG13  ILE  58          HG11      ILE  58  -6.896 -16.751  12.381
  470   HG21  ILE  58          HG21      ILE  58  -4.839 -20.396  11.597
  471   HG22  ILE  58          HG22      ILE  58  -3.968 -18.885  11.854
  472   HG23  ILE  58          HG23      ILE  58  -4.870 -19.140  10.359
  473   HD11  ILE  58          HD11      ILE  58  -4.034 -17.413  13.138
  474   HD12  ILE  58          HD12      ILE  58  -5.385 -17.149  14.240
  475   HD13  ILE  58          HD13      ILE  58  -4.751 -15.808  13.285
  476    H    ALA  59           HN       ALA  59  -8.028 -20.915  12.789
  477    HA   ALA  59           HA       ALA  59  -6.882 -23.142  11.491
  478    HB1  ALA  59           HB1      ALA  59  -8.072 -24.480  13.063
  479    HB2  ALA  59           HB2      ALA  59  -9.296 -23.232  13.305
  480    HB3  ALA  59           HB3      ALA  59  -7.657 -22.989  13.909
  481    H    GLU  60           HN       GLU  60 -10.100 -21.693  11.325
  482    HA   GLU  60           HA       GLU  60 -11.251 -23.743   9.706
  483    HB2  GLU  60           HB2      GLU  60 -12.042 -20.875  10.240
  484    HB3  GLU  60           HB1      GLU  60 -13.003 -21.976   9.252
  485    HG2  GLU  60           HG2      GLU  60 -13.222 -23.523  11.131
  486    HG3  GLU  60           HG1      GLU  60 -12.186 -22.507  12.122
  487    H    HIS  61           HN       HIS  61  -9.728 -20.619   9.018
  488    HA   HIS  61           HA       HIS  61  -9.397 -21.465   6.208
  489    HB2  HIS  61           HB2      HIS  61 -10.116 -18.621   6.848
  490    HB3  HIS  61           HB1      HIS  61 -10.238 -19.494   5.320
  491    HD2  HIS  61           HD2      HIS  61 -12.432 -21.435   5.271
  492    HE1  HIS  61           HE1      HIS  61 -14.458 -19.632   8.507
  493    HE2  HIS  61           HE2      HIS  61 -14.669 -21.310   6.612
  494    HA   PRO  62           HA       PRO  62  -5.543 -19.705   8.127
  495    HB2  PRO  62           HB2      PRO  62  -3.924 -21.867   7.678
  496    HB3  PRO  62           HB1      PRO  62  -4.935 -21.700   9.123
  497    HG2  PRO  62           HG2      PRO  62  -5.385 -23.336   6.678
  498    HG3  PRO  62           HG1      PRO  62  -5.784 -23.697   8.366
  499    HD2  PRO  62           HD2      PRO  62  -7.612 -22.814   6.478
  500    HD3  PRO  62           HD1      PRO  62  -7.833 -22.643   8.234
  501    H    THR  63           HN       THR  63  -6.463 -21.033   5.100
  502    HA   THR  63           HA       THR  63  -4.036 -20.055   3.742
  503    HB   THR  63           HB       THR  63  -4.959 -21.204   1.767
  504    HG1  THR  63           HG1      THR  63  -6.822 -22.674   2.597
  505   HG21  THR  63          HG21      THR  63  -4.622 -23.456   2.568
  506   HG22  THR  63          HG22      THR  63  -5.043 -22.985   4.214
  507   HG23  THR  63          HG23      THR  63  -3.551 -22.394   3.482
  508    H    SER  64           HN       SER  64  -6.850 -18.772   4.780
  509    HA   SER  64           HA       SER  64  -7.913 -17.447   2.527
  510    HB2  SER  64           HB2      SER  64  -8.914 -15.902   4.178
  511    HB3  SER  64           HB1      SER  64  -9.125 -17.583   4.642
  512    HG   SER  64           HG       SER  64  -8.219 -16.951   6.433
  513    H    GLY  65           HN       GLY  65  -5.245 -16.680   4.688
  514    HA2  GLY  65           HA2      GLY  65  -3.424 -15.289   4.262
  515    HA3  GLY  65           HA1      GLY  65  -4.212 -14.747   2.783
  516    H    ARG  66           HN       ARG  66  -6.691 -13.962   3.923
  517    HA   ARG  66           HA       ARG  66  -6.020 -11.337   4.826
  518    HB2  ARG  66           HB2      ARG  66  -8.697 -12.753   4.829
  519    HB3  ARG  66           HB1      ARG  66  -8.446 -11.021   5.011
  520    HG2  ARG  66           HG2      ARG  66  -7.389 -12.513   2.602
  521    HG3  ARG  66           HG1      ARG  66  -9.041 -11.904   2.644
  522    HD2  ARG  66           HD2      ARG  66  -8.088  -9.627   3.211
  523    HD3  ARG  66           HD1      ARG  66  -6.490 -10.289   2.900
  524    HE   ARG  66           HE       ARG  66  -8.373 -10.665   0.739
  525   HH11  ARG  66          HH21      ARG  66  -5.991  -8.648   2.231
  526   HH12  ARG  66          HH22      ARG  66  -5.594  -7.800   0.775
  527   HH21  ARG  66          HH11      ARG  66  -7.859  -9.558  -1.178
  528   HH22  ARG  66          HH12      ARG  66  -6.653  -8.316  -1.156
  529    H    ASN  67           HN       ASN  67  -6.527 -14.328   6.406
  530    HA   ASN  67           HA       ASN  67  -7.459 -13.377   8.916
  531    HB2  ASN  67           HB2      ASN  67  -6.871 -15.556   9.762
  532    HB3  ASN  67           HB1      ASN  67  -7.545 -15.763   8.147
  533   HD21  ASN  67          HD21      ASN  67  -5.941 -17.824   9.021
  534   HD22  ASN  67          HD22      ASN  67  -4.430 -17.779   8.248
  535    H    GLN  68           HN       GLN  68  -4.419 -13.215   7.357
  536    HA   GLN  68           HA       GLN  68  -2.615 -13.295   9.489
  537    HB2  GLN  68           HB2      GLN  68  -1.964 -13.187   7.096
  538    HB3  GLN  68           HB1      GLN  68  -2.485 -11.502   7.052
  539    HG2  GLN  68           HG2      GLN  68  -0.840 -10.900   8.741
  540    HG3  GLN  68           HG1      GLN  68  -0.377 -12.589   8.939
  541   HE21  GLN  68          HE21      GLN  68   1.782 -11.217   8.305
  542   HE22  GLN  68          HE22      GLN  68   2.165 -11.281   6.652
  543    H    ALA  69           HN       ALA  69  -4.758 -10.730   8.392
  544    HA   ALA  69           HA       ALA  69  -3.626  -8.674  10.037
  545    HB1  ALA  69           HB1      ALA  69  -6.388  -8.877   8.809
  546    HB2  ALA  69           HB2      ALA  69  -4.973  -8.171   8.030
  547    HB3  ALA  69           HB3      ALA  69  -5.656  -7.416   9.471
  548    H    LEU  70           HN       LEU  70  -6.260 -11.001  10.413
  549    HA   LEU  70           HA       LEU  70  -7.324  -9.951  12.819
  550    HB2  LEU  70           HB2      LEU  70  -7.409 -12.633  11.459
  551    HB3  LEU  70           HB1      LEU  70  -8.064 -12.457  13.083
  552    HG   LEU  70           HG       LEU  70  -9.551 -10.671  12.338
  553   HD11  LEU  70          HD11      LEU  70  -8.085 -11.077   9.725
  554   HD12  LEU  70          HD12      LEU  70  -8.299  -9.582  10.637
  555   HD13  LEU  70          HD13      LEU  70  -9.670 -10.306   9.794
  556   HD21  LEU  70          HD21      LEU  70 -10.450 -12.901  12.143
  557   HD22  LEU  70          HD22      LEU  70  -9.580 -13.174  10.633
  558   HD23  LEU  70          HD23      LEU  70 -10.912 -12.021  10.685
  559    H    THR  71           HN       THR  71  -4.779 -12.324  12.171
  560    HA   THR  71           HA       THR  71  -4.313 -13.293  14.720
  561    HB   THR  71           HB       THR  71  -2.107 -12.573  12.786
  562    HG1  THR  71           HG1      THR  71  -2.902 -13.987  11.476
  563   HG21  THR  71          HG21      THR  71  -1.012 -14.516  13.745
  564   HG22  THR  71          HG22      THR  71  -2.450 -14.903  14.692
  565   HG23  THR  71          HG23      THR  71  -1.518 -13.451  15.058
  566    H    GLN  72           HN       GLN  72  -3.329 -10.220  13.294
  567    HA   GLN  72           HA       GLN  72  -1.536  -9.402  15.307
  568    HB2  GLN  72           HB2      GLN  72  -3.258  -7.840  13.386
  569    HB3  GLN  72           HB1      GLN  72  -2.096  -7.079  14.468
  570    HG2  GLN  72           HG2      GLN  72  -0.279  -8.392  13.488
  571    HG3  GLN  72           HG1      GLN  72  -1.426  -9.239  12.451
  572   HE21  GLN  72          HE21      GLN  72   0.352  -8.108  10.890
  573   HE22  GLN  72          HE22      GLN  72  -0.135  -6.604  10.270
  574    H    LEU  73           HN       LEU  73  -5.038  -9.024  14.980
  575    HA   LEU  73           HA       LEU  73  -5.428  -7.324  17.190
  576    HB2  LEU  73           HB2      LEU  73  -7.178  -9.264  15.696
  577    HB3  LEU  73           HB1      LEU  73  -7.788  -8.492  17.148
  578    HG   LEU  73           HG       LEU  73  -8.327  -7.264  15.001
  579   HD11  LEU  73          HD11      LEU  73  -6.548  -5.435  16.569
  580   HD12  LEU  73          HD12      LEU  73  -7.835  -6.247  17.456
  581   HD13  LEU  73          HD13      LEU  73  -8.222  -5.235  16.080
  582   HD21  LEU  73          HD21      LEU  73  -5.402  -6.488  15.022
  583   HD22  LEU  73          HD22      LEU  73  -6.599  -6.182  13.769
  584   HD23  LEU  73          HD23      LEU  73  -6.002  -7.816  14.033
  585    H    LYS  74           HN       LYS  74  -5.332 -10.838  16.939
  586    HA   LYS  74           HA       LYS  74  -6.142 -11.463  19.548
  587    HB2  LYS  74           HB2      LYS  74  -5.802 -13.116  17.726
  588    HB3  LYS  74           HB1      LYS  74  -4.066 -12.899  17.889
  589    HG2  LYS  74           HG2      LYS  74  -4.157 -13.677  20.208
  590    HG3  LYS  74           HG1      LYS  74  -5.912 -13.796  20.119
  591    HD2  LYS  74           HD2      LYS  74  -5.259 -16.011  19.715
  592    HD3  LYS  74           HD1      LYS  74  -5.458 -15.385  18.081
  593    HE2  LYS  74           HE2      LYS  74  -3.331 -16.631  18.315
  594    HE3  LYS  74           HE1      LYS  74  -3.037 -14.940  17.945
  595    HZ1  LYS  74           HZ1      LYS  74  -1.853 -14.789  19.788
  596    HZ2  LYS  74           HZ2      LYS  74  -2.194 -16.406  20.183
  597    HZ3  LYS  74           HZ3      LYS  74  -3.225 -15.164  20.712
  598    H    GLU  75           HN       GLU  75  -2.869 -10.843  18.283
  599    HA   GLU  75           HA       GLU  75  -1.543 -11.184  20.770
  600    HB2  GLU  75           HB2      GLU  75  -0.748  -9.694  18.259
  601    HB3  GLU  75           HB1      GLU  75   0.326  -9.950  19.636
  602    HG2  GLU  75           HG2      GLU  75   0.117 -12.372  19.396
  603    HG3  GLU  75           HG1      GLU  75  -1.047 -12.166  18.088
  604    H    GLN  76           HN       GLN  76  -2.944  -8.386  19.134
  605    HA   GLN  76           HA       GLN  76  -1.928  -6.406  20.884
  606    HB2  GLN  76           HB2      GLN  76  -4.337  -6.493  19.067
  607    HB3  GLN  76           HB1      GLN  76  -3.915  -5.064  20.010
  608    HG2  GLN  76           HG2      GLN  76  -1.784  -4.875  18.917
  609    HG3  GLN  76           HG1      GLN  76  -1.975  -6.439  18.136
  610   HE21  GLN  76          HE21      GLN  76  -1.540  -4.800  16.195
  611   HE22  GLN  76          HE22      GLN  76  -2.934  -4.160  15.471
  612    H    VAL  77           HN       VAL  77  -5.002  -8.198  20.856
  613    HA   VAL  77           HA       VAL  77  -6.185  -6.929  23.058
  614    HB   VAL  77           HB       VAL  77  -6.500  -9.738  21.979
  615   HG11  VAL  77          HG11      VAL  77  -7.267  -9.863  24.240
  616   HG12  VAL  77          HG12      VAL  77  -8.722  -9.581  23.274
  617   HG13  VAL  77          HG13      VAL  77  -7.971  -8.247  24.156
  618   HG21  VAL  77          HG21      VAL  77  -8.413  -7.403  21.788
  619   HG22  VAL  77          HG22      VAL  77  -8.377  -8.872  20.813
  620   HG23  VAL  77          HG23      VAL  77  -7.132  -7.642  20.601
  621    H    THR  78           HN       THR  78  -4.191  -9.874  22.903
  622    HA   THR  78           HA       THR  78  -4.293 -10.645  25.555
  623    HB   THR  78           HB       THR  78  -1.996 -11.600  25.157
  624    HG1  THR  78           HG1      THR  78  -1.370 -11.358  22.873
  625   HG21  THR  78          HG21      THR  78  -2.794 -12.947  23.086
  626   HG22  THR  78          HG22      THR  78  -4.274 -11.998  23.224
  627   HG23  THR  78          HG23      THR  78  -3.766 -13.031  24.555
  628    H    SER  79           HN       SER  79  -2.257  -8.178  24.046
  629    HA   SER  79           HA       SER  79  -0.700  -7.627  26.366
  630    HB2  SER  79           HB2      SER  79   0.261  -6.888  24.357
  631    HB3  SER  79           HB1      SER  79  -1.244  -6.169  23.791
  632    HG   SER  79           HG       SER  79  -0.816  -4.423  24.901
  633    H    ALA  80           HN       ALA  80  -3.304  -5.720  24.836
  634    HA   ALA  80           HA       ALA  80  -3.601  -3.952  27.022
  635    HB1  ALA  80           HB1      ALA  80  -5.488  -3.078  25.871
  636    HB2  ALA  80           HB2      ALA  80  -5.743  -4.595  25.011
  637    HB3  ALA  80           HB3      ALA  80  -4.358  -3.579  24.613
  638    H    LEU  81           HN       LEU  81  -4.917  -7.066  26.328
  639    HA   LEU  81           HA       LEU  81  -7.127  -6.980  28.078
  640    HB2  LEU  81           HB2      LEU  81  -7.008  -8.710  26.394
  641    HB3  LEU  81           HB1      LEU  81  -5.489  -9.315  27.061
  642    HG   LEU  81           HG       LEU  81  -6.628  -9.934  29.108
  643   HD11  LEU  81          HD11      LEU  81  -8.350  -8.385  29.459
  644   HD12  LEU  81          HD12      LEU  81  -9.251  -9.810  28.968
  645   HD13  LEU  81          HD13      LEU  81  -8.931  -8.528  27.803
  646   HD21  LEU  81          HD21      LEU  81  -6.614 -11.508  27.171
  647   HD22  LEU  81          HD22      LEU  81  -8.212 -10.914  26.744
  648   HD23  LEU  81          HD23      LEU  81  -7.971 -11.763  28.267
  649    H    GLY  82           HN       GLY  82  -3.722  -7.641  28.543
  650    HA2  GLY  82           HA2      GLY  82  -2.474  -7.728  30.478
  651    HA3  GLY  82           HA1      GLY  82  -3.912  -7.231  31.363
  652    H    LEU  83           HN       LEU  83  -3.003 -10.101  29.442
  653    HA   LEU  83           HA       LEU  83  -4.433 -11.888  31.143
  654    HB2  LEU  83           HB2      LEU  83  -2.347 -12.349  29.002
  655    HB3  LEU  83           HB1      LEU  83  -3.179 -13.654  29.838
  656    HG   LEU  83           HG       LEU  83  -4.598 -11.425  28.347
  657   HD11  LEU  83          HD11      LEU  83  -4.062 -14.279  27.471
  658   HD12  LEU  83          HD12      LEU  83  -3.244 -12.857  26.826
  659   HD13  LEU  83          HD13      LEU  83  -4.976 -13.071  26.570
  660   HD21  LEU  83          HD21      LEU  83  -5.457 -13.845  29.908
  661   HD22  LEU  83          HD22      LEU  83  -6.376 -13.449  28.466
  662   HD23  LEU  83          HD23      LEU  83  -6.228 -12.268  29.756
  663    H    GLU  84           HN       GLU  84  -1.234 -10.577  31.165
  664    HA   GLU  84           HA       GLU  84  -0.372 -12.532  33.214
  665    HB2  GLU  84           HB2      GLU  84   1.160 -10.519  31.551
  666    HB3  GLU  84           HB1      GLU  84   1.878 -11.473  32.850
  667    HG2  GLU  84           HG2      GLU  84   1.303 -13.544  31.715
  668    HG3  GLU  84           HG1      GLU  84   0.438 -12.657  30.460
  669    H    HIS  85           HN       HIS  85  -1.239  -9.195  32.708
  670    HA   HIS  85           HA       HIS  85  -0.047  -7.968  34.911
  671    HB2  HIS  85           HB2      HIS  85  -2.768  -7.425  33.696
  672    HB3  HIS  85           HB1      HIS  85  -1.895  -6.335  34.775
  673    HD2  HIS  85           HD2      HIS  85   0.957  -7.472  32.848
  674    HE1  HIS  85           HE1      HIS  85  -0.787  -4.653  30.235
  675    HE2  HIS  85           HE2      HIS  85   1.310  -6.000  30.721
  676    H    HIS  86           HN       HIS  86  -3.525  -8.681  34.883
  677    HA   HIS  86           HA       HIS  86  -3.302 -10.017  37.496
  678    HB2  HIS  86           HB2      HIS  86  -4.877  -7.497  36.947
  679    HB3  HIS  86           HB1      HIS  86  -5.244  -8.572  38.297
  680    HD2  HIS  86           HD2      HIS  86  -3.501  -8.348  40.476
  681    HE1  HIS  86           HE1      HIS  86  -0.795  -5.633  38.706
  682    HE2  HIS  86           HE2      HIS  86  -1.425  -6.813  40.865
  683    H    HIS  87           HN       HIS  87  -4.127 -11.936  36.900
  684    HA   HIS  87           HA       HIS  87  -6.938 -12.019  36.113
  685    HB2  HIS  87           HB2      HIS  87  -5.601 -11.951  33.976
  686    HB3  HIS  87           HB1      HIS  87  -4.865 -13.477  34.461
  687    HD2  HIS  87           HD2      HIS  87  -8.386 -12.134  33.302
  688    HE1  HIS  87           HE1      HIS  87  -8.532 -16.353  33.385
  689    HE2  HIS  87           HE2      HIS  87  -9.798 -14.253  32.724
  690    H    HIS  88           HN       HIS  88  -4.860 -12.871  38.268
  691    HA   HIS  88           HA       HIS  88  -5.294 -15.769  38.321
  692    HB2  HIS  88           HB2      HIS  88  -3.833 -13.949  40.252
  693    HB3  HIS  88           HB1      HIS  88  -3.854 -15.712  40.309
  694    HD2  HIS  88           HD2      HIS  88  -3.542 -15.645  36.779
  695    HE1  HIS  88           HE1      HIS  88   0.346 -14.436  37.891
  696    HE2  HIS  88           HE2      HIS  88  -1.075 -15.333  35.987
  697    H    HIS  89           HN       HIS  89  -7.665 -15.453  38.486
  698    HA   HIS  89           HA       HIS  89  -8.858 -14.254  40.766
  699    HB2  HIS  89           HB2      HIS  89  -9.828 -16.342  38.809
  700    HB3  HIS  89           HB1      HIS  89 -10.836 -15.713  40.112
  701    HD2  HIS  89           HD2      HIS  89 -11.900 -13.164  39.640
  702    HE1  HIS  89           HE1      HIS  89  -9.891 -12.427  36.001
  703    HE2  HIS  89           HE2      HIS  89 -11.670 -11.559  37.593
  704    H    HIS  90           HN       HIS  90  -7.864 -17.580  40.032
  705    HA   HIS  90           HA       HIS  90  -7.538 -18.160  42.840
  706    HB2  HIS  90           HB2      HIS  90  -9.148 -19.970  42.973
  707    HB3  HIS  90           HB1      HIS  90  -9.990 -18.489  42.515
  708    HD2  HIS  90           HD2      HIS  90 -11.389 -18.687  40.126
  709    HE1  HIS  90           HE1      HIS  90  -9.673 -22.293  38.756
  710    HE2  HIS  90           HE2      HIS  90 -11.443 -20.535  38.280
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  -0.087  -0.634  19.355
    2    H2   MET   1           HT2      MET   1   0.959   0.680  19.604
    3    H3   MET   1           HT3      MET   1  -0.682   0.807  20.025
    4    HA   MET   1           HA       MET   1   0.092  -1.354  21.442
    5    HB2  MET   1           HB2      MET   1   2.333   0.692  21.397
    6    HB3  MET   1           HB1      MET   1   2.198  -0.625  22.561
    7    HG2  MET   1           HG2      MET   1   2.346  -1.003  19.557
    8    HG3  MET   1           HG1      MET   1   3.719  -1.170  20.647
    9    HE1  MET   1           HE1      MET   1   3.278  -4.178  22.647
   10    HE2  MET   1           HE2      MET   1   2.314  -2.854  23.298
   11    HE3  MET   1           HE3      MET   1   3.861  -2.513  22.530
   12    H    GLY   2           HN       GLY   2  -1.130  -1.056  23.191
   13    HA2  GLY   2           HA2      GLY   2  -2.039  -0.035  25.062
   14    HA3  GLY   2           HA1      GLY   2  -1.070   1.394  24.711
   15    H    GLN   3           HN       GLN   3  -2.928   0.160  22.102
   16    HA   GLN   3           HA       GLN   3  -5.205   1.933  22.651
   17    HB2  GLN   3           HB2      GLN   3  -3.465   3.265  21.408
   18    HB3  GLN   3           HB1      GLN   3  -3.615   2.116  20.079
   19    HG2  GLN   3           HG2      GLN   3  -5.045   4.025  19.617
   20    HG3  GLN   3           HG1      GLN   3  -6.063   2.630  19.974
   21   HE21  GLN   3          HE21      GLN   3  -7.853   3.532  21.050
   22   HE22  GLN   3          HE22      GLN   3  -7.737   4.549  22.404
   23    H    ILE   4           HN       ILE   4  -7.074   1.394  21.528
   24    HA   ILE   4           HA       ILE   4  -7.146  -1.338  20.515
   25    HB   ILE   4           HB       ILE   4  -9.318   0.644  21.063
   26   HG12  ILE   4          HG12      ILE   4  -8.610  -1.905  22.527
   27   HG13  ILE   4          HG11      ILE   4  -8.010  -0.320  23.018
   28   HG21  ILE   4          HG21      ILE   4  -9.357  -2.202  20.062
   29   HG22  ILE   4          HG22      ILE   4 -10.175  -0.795  19.381
   30   HG23  ILE   4          HG23      ILE   4 -10.743  -1.495  20.895
   31   HD11  ILE   4          HD11      ILE   4 -10.003  -0.803  24.310
   32   HD12  ILE   4          HD12      ILE   4 -10.907  -1.196  22.848
   33   HD13  ILE   4          HD13      ILE   4 -10.397   0.465  23.149
   34    H    PHE   5           HN       PHE   5  -7.402  -1.915  18.433
   35    HA   PHE   5           HA       PHE   5  -6.948  -0.047  16.359
   36    HB2  PHE   5           HB2      PHE   5  -7.952  -2.896  16.341
   37    HB3  PHE   5           HB1      PHE   5  -7.634  -1.984  14.867
   38    HD1  PHE   5           HD2      PHE   5  -5.325  -1.106  14.422
   39    HD2  PHE   5           HD1      PHE   5  -6.173  -3.807  17.652
   40    HE1  PHE   5           HE2      PHE   5  -2.910  -1.637  14.612
   41    HE2  PHE   5           HE1      PHE   5  -3.758  -4.338  17.843
   42    HZ   PHE   5           HZ       PHE   5  -2.126  -3.252  16.322
   43    H    THR   6           HN       THR   6  -8.302   1.144  15.147
   44    HA   THR   6           HA       THR   6 -11.081   1.302  15.910
   45    HB   THR   6           HB       THR   6  -9.744   2.707  13.595
   46    HG1  THR   6           HG1      THR   6  -8.551   3.037  15.502
   47   HG21  THR   6          HG21      THR   6 -12.147   2.962  13.629
   48   HG22  THR   6          HG22      THR   6 -11.438   4.463  14.216
   49   HG23  THR   6          HG23      THR   6 -12.134   3.312  15.357
   50    H    VAL   7           HN       VAL   7 -12.834   1.187  14.364
   51    HA   VAL   7           HA       VAL   7 -12.850  -1.224  12.896
   52    HB   VAL   7           HB       VAL   7 -15.050  -0.387  12.024
   53   HG11  VAL   7          HG11      VAL   7 -14.690  -0.001  15.007
   54   HG12  VAL   7          HG12      VAL   7 -14.760  -1.579  14.222
   55   HG13  VAL   7          HG13      VAL   7 -16.159  -0.505  14.169
   56   HG21  VAL   7          HG21      VAL   7 -14.319   2.047  13.684
   57   HG22  VAL   7          HG22      VAL   7 -15.902   1.739  12.971
   58   HG23  VAL   7          HG23      VAL   7 -14.505   2.005  11.930
   59    H    GLN   8           HN       GLN   8 -12.390   2.145  11.938
   60    HA   GLN   8           HA       GLN   8 -12.632   1.945   9.187
   61    HB2  GLN   8           HB2      GLN   8 -12.248   4.057  10.445
   62    HB3  GLN   8           HB1      GLN   8 -10.570   3.571  10.690
   63    HG2  GLN   8           HG2      GLN   8 -10.192   3.526   8.276
   64    HG3  GLN   8           HG1      GLN   8 -11.885   3.919   7.983
   65   HE21  GLN   8          HE21      GLN   8 -11.770   6.034   7.153
   66   HE22  GLN   8          HE22      GLN   8 -11.003   7.324   7.945
   67    H    GLU   9           HN       GLU   9  -9.744   1.348  11.182
   68    HA   GLU   9           HA       GLU   9  -8.077   0.632   8.981
   69    HB2  GLU   9           HB2      GLU   9  -7.193   1.393  11.164
   70    HB3  GLU   9           HB1      GLU   9  -7.787  -0.092  11.905
   71    HG2  GLU   9           HG2      GLU   9  -6.354  -1.431  10.436
   72    HG3  GLU   9           HG1      GLU   9  -5.801   0.027   9.617
   73    H    LEU  10           HN       LEU  10 -10.148  -1.166  11.183
   74    HA   LEU  10           HA       LEU  10  -9.277  -3.753  10.477
   75    HB2  LEU  10           HB2      LEU  10 -10.792  -2.982  12.443
   76    HB3  LEU  10           HB1      LEU  10 -12.111  -3.143  11.284
   77    HG   LEU  10           HG       LEU  10 -10.988  -5.520  10.822
   78   HD11  LEU  10          HD11      LEU  10 -10.035  -6.475  12.903
   79   HD12  LEU  10          HD12      LEU  10 -10.138  -4.887  13.665
   80   HD13  LEU  10          HD13      LEU  10  -9.051  -5.141  12.302
   81   HD21  LEU  10          HD21      LEU  10 -12.410  -6.452  12.724
   82   HD22  LEU  10          HD22      LEU  10 -13.246  -5.364  11.615
   83   HD23  LEU  10          HD23      LEU  10 -12.722  -4.780  13.194
   84    H    LYS  11           HN       LYS  11 -11.677  -1.592   9.082
   85    HA   LYS  11           HA       LYS  11 -12.998  -3.384   7.395
   86    HB2  LYS  11           HB2      LYS  11 -12.396  -0.439   7.157
   87    HB3  LYS  11           HB1      LYS  11 -13.342  -1.296   5.940
   88    HG2  LYS  11           HG2      LYS  11 -14.959  -1.986   7.643
   89    HG3  LYS  11           HG1      LYS  11 -14.001  -1.209   8.899
   90    HD2  LYS  11           HD2      LYS  11 -14.319   0.978   7.794
   91    HD3  LYS  11           HD1      LYS  11 -15.287   0.198   6.542
   92    HE2  LYS  11           HE2      LYS  11 -16.893  -0.558   8.271
   93    HE3  LYS  11           HE1      LYS  11 -15.933   0.263   9.501
   94    HZ1  LYS  11           HZ1      LYS  11 -16.979   2.134   9.028
   95    HZ2  LYS  11           HZ2      LYS  11 -17.905   1.345   7.842
   96    HZ3  LYS  11           HZ3      LYS  11 -16.425   2.068   7.427
   97    H    GLU  12           HN       GLU  12  -9.998  -1.558   6.890
   98    HA   GLU  12           HA       GLU  12  -9.608  -2.310   4.189
   99    HB2  GLU  12           HB2      GLU  12  -8.415  -0.437   5.284
  100    HB3  GLU  12           HB1      GLU  12  -7.532  -1.599   6.274
  101    HG2  GLU  12           HG2      GLU  12  -6.572  -2.620   4.256
  102    HG3  GLU  12           HG1      GLU  12  -7.489  -1.507   3.243
  103    H    ARG  13           HN       ARG  13  -8.374  -3.679   7.236
  104    HA   ARG  13           HA       ARG  13  -6.972  -5.816   5.928
  105    HB2  ARG  13           HB2      ARG  13  -7.727  -5.327   8.814
  106    HB3  ARG  13           HB1      ARG  13  -6.787  -6.720   8.276
  107    HG2  ARG  13           HG2      ARG  13  -5.088  -5.225   7.315
  108    HG3  ARG  13           HG1      ARG  13  -6.028  -3.820   7.818
  109    HD2  ARG  13           HD2      ARG  13  -5.817  -4.524  10.174
  110    HD3  ARG  13           HD1      ARG  13  -4.866  -5.920   9.672
  111    HE   ARG  13           HE       ARG  13  -3.968  -3.150   9.781
  112   HH11  ARG  13          HH21      ARG  13  -3.483  -6.358   8.579
  113   HH12  ARG  13          HH22      ARG  13  -1.789  -6.142   8.288
  114   HH21  ARG  13          HH11      ARG  13  -1.746  -2.859   9.403
  115   HH22  ARG  13          HH12      ARG  13  -0.806  -4.160   8.756
  116    H    ALA  14           HN       ALA  14 -10.202  -5.311   7.046
  117    HA   ALA  14           HA       ALA  14 -10.927  -8.067   7.306
  118    HB1  ALA  14           HB1      ALA  14 -12.184  -6.279   8.446
  119    HB2  ALA  14           HB2      ALA  14 -13.233  -7.229   7.395
  120    HB3  ALA  14           HB3      ALA  14 -12.679  -5.637   6.880
  121    H    LYS  15           HN       LYS  15 -10.249  -6.132   4.650
  122    HA   LYS  15           HA       LYS  15 -12.157  -6.921   2.757
  123    HB2  LYS  15           HB2      LYS  15  -9.240  -6.211   2.497
  124    HB3  LYS  15           HB1      LYS  15 -10.279  -6.513   1.103
  125    HG2  LYS  15           HG2      LYS  15 -11.781  -4.715   1.786
  126    HG3  LYS  15           HG1      LYS  15 -10.837  -4.453   3.252
  127    HD2  LYS  15           HD2      LYS  15 -10.213  -2.794   1.566
  128    HD3  LYS  15           HD1      LYS  15  -8.863  -3.886   1.863
  129    HE2  LYS  15           HE2      LYS  15 -10.791  -4.569  -0.340
  130    HE3  LYS  15           HE1      LYS  15  -9.594  -3.304  -0.622
  131    HZ1  LYS  15           HZ1      LYS  15  -9.141  -5.943  -0.910
  132    HZ2  LYS  15           HZ2      LYS  15  -8.530  -5.656   0.649
  133    HZ3  LYS  15           HZ3      LYS  15  -7.936  -4.772  -0.674
  134    H    VAL  16           HN       VAL  16  -9.069  -8.446   3.669
  135    HA   VAL  16           HA       VAL  16  -8.151 -10.478   3.018
  136    HB   VAL  16           HB       VAL  16 -10.981 -11.273   3.741
  137   HG11  VAL  16          HG11      VAL  16  -9.925 -13.142   2.675
  138   HG12  VAL  16          HG12      VAL  16  -9.778 -13.422   4.410
  139   HG13  VAL  16          HG13      VAL  16  -8.395 -12.826   3.492
  140   HG21  VAL  16          HG21      VAL  16  -9.984 -11.651   5.984
  141   HG22  VAL  16          HG22      VAL  16  -9.874  -9.961   5.495
  142   HG23  VAL  16          HG23      VAL  16  -8.453 -11.002   5.397
  143    H    PHE  17           HN       PHE  17 -11.343 -11.504   2.022
  144    HA   PHE  17           HA       PHE  17 -10.751 -11.180  -0.814
  145    HB2  PHE  17           HB2      PHE  17  -9.648 -13.289  -0.330
  146    HB3  PHE  17           HB1      PHE  17 -11.095 -13.899   0.472
  147    HD1  PHE  17           HD2      PHE  17  -9.824 -12.615  -2.800
  148    HD2  PHE  17           HD1      PHE  17 -12.814 -14.940  -0.773
  149    HE1  PHE  17           HE2      PHE  17 -10.706 -13.387  -4.986
  150    HE2  PHE  17           HE1      PHE  17 -13.696 -15.711  -2.958
  151    HZ   PHE  17           HZ       PHE  17 -12.642 -14.935  -5.064
  152    H    ALA  18           HN       ALA  18 -12.597 -11.870  -2.166
  153    HA   ALA  18           HA       ALA  18 -15.028 -10.808  -1.195
  154    HB1  ALA  18           HB1      ALA  18 -14.383 -12.491  -3.622
  155    HB2  ALA  18           HB2      ALA  18 -14.618 -10.744  -3.552
  156    HB3  ALA  18           HB3      ALA  18 -15.987 -11.828  -3.306
  157    H    LYS  19           HN       LYS  19 -16.314 -11.708   0.268
  158    HA   LYS  19           HA       LYS  19 -16.851 -14.595   0.056
  159    HB2  LYS  19           HB2      LYS  19 -16.253 -13.114   2.615
  160    HB3  LYS  19           HB1      LYS  19 -16.827 -14.778   2.506
  161    HG2  LYS  19           HG2      LYS  19 -14.672 -14.850   0.770
  162    HG3  LYS  19           HG1      LYS  19 -14.112 -13.689   1.971
  163    HD2  LYS  19           HD2      LYS  19 -14.811 -15.391   3.734
  164    HD3  LYS  19           HD1      LYS  19 -14.996 -16.538   2.406
  165    HE2  LYS  19           HE2      LYS  19 -12.761 -16.794   3.304
  166    HE3  LYS  19           HE1      LYS  19 -12.631 -16.023   1.723
  167    HZ1  LYS  19           HZ1      LYS  19 -11.356 -15.032   3.714
  168    HZ2  LYS  19           HZ2      LYS  19 -12.860 -14.376   4.150
  169    HZ3  LYS  19           HZ3      LYS  19 -12.163 -13.986   2.651
  170    HA   PRO  20           HA       PRO  20 -21.164 -13.606   0.205
  171    HB2  PRO  20           HB2      PRO  20 -21.336 -15.611   2.431
  172    HB3  PRO  20           HB1      PRO  20 -22.300 -15.496   0.947
  173    HG2  PRO  20           HG2      PRO  20 -20.334 -17.309   1.259
  174    HG3  PRO  20           HG1      PRO  20 -20.727 -16.590  -0.314
  175    HD2  PRO  20           HD2      PRO  20 -18.361 -16.120   1.414
  176    HD3  PRO  20           HD1      PRO  20 -18.564 -15.868  -0.332
  177    H    ILE  21           HN       ILE  21 -22.458 -12.193   1.316
  178    HA   ILE  21           HA       ILE  21 -21.395 -11.032   3.776
  179    HB   ILE  21           HB       ILE  21 -23.126  -9.305   3.405
  180   HG12  ILE  21          HG12      ILE  21 -23.779 -10.902   0.905
  181   HG13  ILE  21          HG11      ILE  21 -24.802 -10.840   2.343
  182   HG21  ILE  21          HG21      ILE  21 -22.153  -8.386   1.351
  183   HG22  ILE  21          HG22      ILE  21 -21.526  -9.976   0.917
  184   HG23  ILE  21          HG23      ILE  21 -20.893  -9.135   2.331
  185   HD11  ILE  21          HD11      ILE  21 -24.011  -8.496   0.593
  186   HD12  ILE  21          HD12      ILE  21 -24.919  -8.358   2.100
  187   HD13  ILE  21          HD13      ILE  21 -25.616  -9.217   0.726
  188    H    GLY  22           HN       GLY  22 -22.508 -10.912   5.715
  189    HA2  GLY  22           HA2      GLY  22 -25.133 -12.095   6.014
  190    HA3  GLY  22           HA1      GLY  22 -23.833 -13.053   6.718
  191    H    ALA  23           HN       ALA  23 -25.859 -12.019   8.296
  192    HA   ALA  23           HA       ALA  23 -25.179  -9.513   9.482
  193    HB1  ALA  23           HB1      ALA  23 -26.783 -11.771  10.700
  194    HB2  ALA  23           HB2      ALA  23 -27.446 -10.574   9.588
  195    HB3  ALA  23           HB3      ALA  23 -26.826 -10.069  11.159
  196    H    SER  24           HN       SER  24 -24.101 -12.783   9.927
  197    HA   SER  24           HA       SER  24 -22.950 -12.329  12.542
  198    HB2  SER  24           HB2      SER  24 -22.762 -14.590  10.551
  199    HB3  SER  24           HB1      SER  24 -21.862 -14.579  12.065
  200    HG   SER  24           HG       SER  24 -24.474 -15.117  11.604
  201    H    TYR  25           HN       TYR  25 -22.031 -11.761   9.289
  202    HA   TYR  25           HA       TYR  25 -19.199 -11.966   9.598
  203    HB2  TYR  25           HB2      TYR  25 -20.202 -12.065   7.389
  204    HB3  TYR  25           HB1      TYR  25 -20.879 -10.449   7.590
  205    HD1  TYR  25           HD1      TYR  25 -17.631 -12.309   7.576
  206    HD2  TYR  25           HD2      TYR  25 -19.621  -8.548   6.979
  207    HE1  TYR  25           HE1      TYR  25 -15.515 -11.322   6.741
  208    HE2  TYR  25           HE2      TYR  25 -17.506  -7.562   6.143
  209    HH   TYR  25           HH       TYR  25 -14.688  -8.534   6.681
  210    H    GLN  26           HN       GLN  26 -21.480  -9.240   9.675
  211    HA   GLN  26           HA       GLN  26 -19.499  -7.262  10.203
  212    HB2  GLN  26           HB2      GLN  26 -21.447  -5.837  10.821
  213    HB3  GLN  26           HB1      GLN  26 -21.637  -6.622   9.254
  214    HG2  GLN  26           HG2      GLN  26 -22.980  -8.405  10.319
  215    HG3  GLN  26           HG1      GLN  26 -22.821  -7.586  11.872
  216   HE21  GLN  26          HE21      GLN  26 -25.103  -7.102  12.068
  217   HE22  GLN  26          HE22      GLN  26 -25.873  -5.987  11.046
  218    H    GLY  27           HN       GLY  27 -20.983  -9.646  12.138
  219    HA2  GLY  27           HA2      GLY  27 -21.172  -8.500  14.653
  220    HA3  GLY  27           HA1      GLY  27 -20.735 -10.181  14.365
  221    H    ILE  28           HN       ILE  28 -18.319  -9.433  12.850
  222    HA   ILE  28           HA       ILE  28 -16.486  -9.353  15.030
  223    HB   ILE  28           HB       ILE  28 -16.085 -10.465  12.800
  224   HG12  ILE  28          HG12      ILE  28 -13.981  -8.417  13.564
  225   HG13  ILE  28          HG11      ILE  28 -14.282  -9.891  14.485
  226   HG21  ILE  28          HG21      ILE  28 -15.313  -7.707  11.833
  227   HG22  ILE  28          HG22      ILE  28 -16.925  -8.358  11.547
  228   HG23  ILE  28          HG23      ILE  28 -15.513  -9.185  10.891
  229   HD11  ILE  28          HD11      ILE  28 -13.550  -9.808  11.544
  230   HD12  ILE  28          HD12      ILE  28 -13.772 -11.259  12.522
  231   HD13  ILE  28          HD13      ILE  28 -12.425 -10.170  12.853
  232    H    LEU  29           HN       LEU  29 -17.911  -6.945  12.956
  233    HA   LEU  29           HA       LEU  29 -16.004  -4.890  13.784
  234    HB2  LEU  29           HB2      LEU  29 -17.130  -5.191  11.424
  235    HB3  LEU  29           HB1      LEU  29 -18.478  -4.340  12.171
  236    HG   LEU  29           HG       LEU  29 -16.680  -2.624  12.954
  237   HD11  LEU  29          HD11      LEU  29 -15.178  -4.201  10.856
  238   HD12  LEU  29          HD12      LEU  29 -14.620  -3.653  12.435
  239   HD13  LEU  29          HD13      LEU  29 -14.828  -2.498  11.124
  240   HD21  LEU  29          HD21      LEU  29 -16.899  -1.383  10.835
  241   HD22  LEU  29          HD22      LEU  29 -18.424  -2.149  11.278
  242   HD23  LEU  29          HD23      LEU  29 -17.414  -2.858  10.018
  243    H    ASP  30           HN       ASP  30 -19.405  -5.746  14.200
  244    HA   ASP  30           HA       ASP  30 -20.229  -3.457  15.601
  245    HB2  ASP  30           HB2      ASP  30 -21.805  -5.112  14.711
  246    HB3  ASP  30           HB1      ASP  30 -21.216  -6.306  15.866
  247    H    GLN  31           HN       GLN  31 -18.714  -6.458  16.697
  248    HA   GLN  31           HA       GLN  31 -18.972  -5.975  19.474
  249    HB2  GLN  31           HB2      GLN  31 -18.375  -8.184  18.400
  250    HB3  GLN  31           HB1      GLN  31 -16.760  -7.536  18.119
  251    HG2  GLN  31           HG2      GLN  31 -16.686  -8.778  20.177
  252    HG3  GLN  31           HG1      GLN  31 -16.618  -7.067  20.597
  253   HE21  GLN  31          HE21      GLN  31 -17.853  -6.781  22.460
  254   HE22  GLN  31          HE22      GLN  31 -19.385  -7.461  22.722
  255    H    LEU  32           HN       LEU  32 -16.543  -5.055  17.080
  256    HA   LEU  32           HA       LEU  32 -14.563  -4.171  18.859
  257    HB2  LEU  32           HB2      LEU  32 -14.631  -4.405  16.199
  258    HB3  LEU  32           HB1      LEU  32 -15.016  -2.688  16.289
  259    HG   LEU  32           HG       LEU  32 -12.615  -2.926  16.091
  260   HD11  LEU  32          HD11      LEU  32 -13.673  -1.243  17.739
  261   HD12  LEU  32          HD12      LEU  32 -11.951  -1.573  17.921
  262   HD13  LEU  32          HD13      LEU  32 -13.107  -2.333  19.008
  263   HD21  LEU  32          HD21      LEU  32 -12.914  -5.324  17.454
  264   HD22  LEU  32          HD22      LEU  32 -12.176  -4.301  18.686
  265   HD23  LEU  32          HD23      LEU  32 -11.373  -4.537  17.137
  266    H    ASP  33           HN       ASP  33 -17.149  -2.323  17.258
  267    HA   ASP  33           HA       ASP  33 -16.569   0.132  18.519
  268    HB2  ASP  33           HB2      ASP  33 -18.005  -0.196  16.476
  269    HB3  ASP  33           HB1      ASP  33 -19.277  -0.785  17.546
  270    H    LEU  34           HN       LEU  34 -18.566  -2.604  19.419
  271    HA   LEU  34           HA       LEU  34 -19.941  -1.414  21.567
  272    HB2  LEU  34           HB2      LEU  34 -20.339  -3.699  20.422
  273    HB3  LEU  34           HB1      LEU  34 -19.113  -4.308  21.533
  274    HG   LEU  34           HG       LEU  34 -20.600  -3.025  23.349
  275   HD11  LEU  34          HD11      LEU  34 -22.116  -2.191  21.441
  276   HD12  LEU  34          HD12      LEU  34 -22.917  -2.894  22.846
  277   HD13  LEU  34          HD13      LEU  34 -22.733  -3.840  21.367
  278   HD21  LEU  34          HD21      LEU  34 -21.399  -5.689  22.126
  279   HD22  LEU  34          HD22      LEU  34 -21.828  -5.135  23.745
  280   HD23  LEU  34          HD23      LEU  34 -20.141  -5.449  23.339
  281    H    VAL  35           HN       VAL  35 -16.826  -3.082  21.400
  282    HA   VAL  35           HA       VAL  35 -16.268  -3.280  24.121
  283    HB   VAL  35           HB       VAL  35 -14.473  -2.875  21.725
  284   HG11  VAL  35          HG11      VAL  35 -13.148  -2.008  23.496
  285   HG12  VAL  35          HG12      VAL  35 -12.655  -3.698  23.369
  286   HG13  VAL  35          HG13      VAL  35 -13.763  -3.195  24.646
  287   HG21  VAL  35          HG21      VAL  35 -15.848  -5.026  22.178
  288   HG22  VAL  35          HG22      VAL  35 -14.730  -5.297  23.514
  289   HG23  VAL  35          HG23      VAL  35 -14.124  -5.212  21.859
  290    H    HIS  36           HN       HIS  36 -16.395  -0.496  22.072
  291    HA   HIS  36           HA       HIS  36 -14.824   1.182  23.852
  292    HB2  HIS  36           HB2      HIS  36 -14.911   1.482  21.352
  293    HB3  HIS  36           HB1      HIS  36 -16.575   2.032  21.542
  294    HD2  HIS  36           HD2      HIS  36 -12.959   3.369  22.077
  295    HE1  HIS  36           HE1      HIS  36 -15.619   6.359  23.419
  296    HE2  HIS  36           HE2      HIS  36 -13.190   5.838  22.892
  297    H    GLN  37           HN       GLN  37 -18.241   0.851  22.909
  298    HA   GLN  37           HA       GLN  37 -19.070   2.806  24.901
  299    HB2  GLN  37           HB2      GLN  37 -20.128   2.404  22.563
  300    HB3  GLN  37           HB1      GLN  37 -20.929   1.033  23.327
  301    HG2  GLN  37           HG2      GLN  37 -22.437   2.878  23.541
  302    HG3  GLN  37           HG1      GLN  37 -21.708   2.662  25.132
  303   HE21  GLN  37          HE21      GLN  37 -21.814   4.774  22.300
  304   HE22  GLN  37          HE22      GLN  37 -20.945   6.051  23.002
  305    H    ALA  38           HN       ALA  38 -18.373  -0.493  24.845
  306    HA   ALA  38           HA       ALA  38 -20.365  -1.431  26.671
  307    HB1  ALA  38           HB1      ALA  38 -17.664  -2.547  25.899
  308    HB2  ALA  38           HB2      ALA  38 -19.236  -3.018  25.251
  309    HB3  ALA  38           HB3      ALA  38 -18.833  -3.377  26.925
  310    H    LYS  39           HN       LYS  39 -20.314  -1.625  28.863
  311    HA   LYS  39           HA       LYS  39 -18.483   0.108  30.284
  312    HB2  LYS  39           HB2      LYS  39 -20.514  -1.716  31.559
  313    HB3  LYS  39           HB1      LYS  39 -19.891  -0.173  32.147
  314    HG2  LYS  39           HG2      LYS  39 -21.753  -0.639  29.806
  315    HG3  LYS  39           HG1      LYS  39 -22.081   0.273  31.278
  316    HD2  LYS  39           HD2      LYS  39 -20.109   1.782  30.561
  317    HD3  LYS  39           HD1      LYS  39 -20.264   1.016  28.980
  318    HE2  LYS  39           HE2      LYS  39 -22.498   2.453  30.450
  319    HE3  LYS  39           HE1      LYS  39 -21.577   3.116  29.100
  320    HZ1  LYS  39           HZ1      LYS  39 -23.643   2.167  28.328
  321    HZ2  LYS  39           HZ2      LYS  39 -23.260   0.670  29.034
  322    HZ3  LYS  39           HZ3      LYS  39 -22.338   1.261  27.735
  323    H    GLY  40           HN       GLY  40 -17.679  -0.806  32.498
  324    HA2  GLY  40           HA2      GLY  40 -15.592  -2.563  32.041
  325    HA3  GLY  40           HA1      GLY  40 -16.291  -2.259  33.629
  326    H    ARG  41           HN       ARG  41 -18.952  -3.278  32.648
  327    HA   ARG  41           HA       ARG  41 -18.451  -6.094  33.239
  328    HB2  ARG  41           HB2      ARG  41 -20.997  -4.500  32.865
  329    HB3  ARG  41           HB1      ARG  41 -20.949  -6.214  33.281
  330    HG2  ARG  41           HG2      ARG  41 -19.698  -5.714  35.326
  331    HG3  ARG  41           HG1      ARG  41 -19.661  -4.000  34.905
  332    HD2  ARG  41           HD2      ARG  41 -22.136  -3.949  34.958
  333    HD3  ARG  41           HD1      ARG  41 -22.150  -5.647  35.428
  334    HE   ARG  41           HE       ARG  41 -20.552  -4.035  37.200
  335   HH11  ARG  41          HH21      ARG  41 -23.757  -5.045  36.377
  336   HH12  ARG  41          HH22      ARG  41 -24.390  -4.807  37.972
  337   HH21  ARG  41          HH11      ARG  41 -21.374  -3.721  39.294
  338   HH22  ARG  41          HH12      ARG  41 -23.041  -4.058  39.623
  339    H    ASP  42           HN       ASP  42 -20.329  -4.335  30.761
  340    HA   ASP  42           HA       ASP  42 -20.627  -6.581  29.056
  341    HB2  ASP  42           HB2      ASP  42 -22.055  -4.513  29.039
  342    HB3  ASP  42           HB1      ASP  42 -20.722  -3.666  28.257
  343    H    GLN  43           HN       GLN  43 -18.126  -4.192  29.434
  344    HA   GLN  43           HA       GLN  43 -16.837  -4.489  26.942
  345    HB2  GLN  43           HB2      GLN  43 -16.335  -2.622  28.434
  346    HB3  GLN  43           HB1      GLN  43 -15.661  -3.735  29.627
  347    HG2  GLN  43           HG2      GLN  43 -13.892  -4.382  28.113
  348    HG3  GLN  43           HG1      GLN  43 -14.633  -3.479  26.793
  349   HE21  GLN  43          HE21      GLN  43 -11.942  -2.968  27.734
  350   HE22  GLN  43          HE22      GLN  43 -11.921  -1.405  28.395
  351    H    ILE  44           HN       ILE  44 -16.484  -6.168  30.037
  352    HA   ILE  44           HA       ILE  44 -14.267  -7.777  29.306
  353    HB   ILE  44           HB       ILE  44 -16.433  -8.150  31.388
  354   HG12  ILE  44          HG12      ILE  44 -13.497  -7.488  31.719
  355   HG13  ILE  44          HG11      ILE  44 -14.738  -6.244  31.550
  356   HG21  ILE  44          HG21      ILE  44 -14.696  -9.812  32.337
  357   HG22  ILE  44          HG22      ILE  44 -13.996  -9.815  30.717
  358   HG23  ILE  44          HG23      ILE  44 -15.657 -10.356  30.962
  359   HD11  ILE  44          HD11      ILE  44 -14.302  -6.683  33.928
  360   HD12  ILE  44          HD12      ILE  44 -14.656  -8.394  33.687
  361   HD13  ILE  44          HD13      ILE  44 -15.936  -7.195  33.505
  362    H    ALA  45           HN       ALA  45 -17.771  -8.307  29.154
  363    HA   ALA  45           HA       ALA  45 -17.744 -10.979  28.323
  364    HB1  ALA  45           HB1      ALA  45 -19.801  -9.897  29.013
  365    HB2  ALA  45           HB2      ALA  45 -19.988 -10.478  27.358
  366    HB3  ALA  45           HB3      ALA  45 -19.698  -8.766  27.663
  367    H    ALA  46           HN       ALA  46 -17.322  -8.000  26.497
  368    HA   ALA  46           HA       ALA  46 -17.564  -9.061  23.894
  369    HB1  ALA  46           HB1      ALA  46 -15.982  -6.701  24.933
  370    HB2  ALA  46           HB2      ALA  46 -17.611  -6.672  24.258
  371    HB3  ALA  46           HB3      ALA  46 -16.235  -7.062  23.227
  372    H    SER  47           HN       SER  47 -14.866  -8.866  26.162
  373    HA   SER  47           HA       SER  47 -12.818  -9.581  24.378
  374    HB2  SER  47           HB2      SER  47 -11.490 -10.058  26.318
  375    HB3  SER  47           HB1      SER  47 -12.516  -8.681  26.712
  376    HG   SER  47           HG       SER  47 -12.765 -10.065  28.384
  377    H    PHE  48           HN       PHE  48 -14.885 -11.570  26.471
  378    HA   PHE  48           HA       PHE  48 -13.702 -14.058  25.835
  379    HB2  PHE  48           HB2      PHE  48 -16.416 -13.256  26.884
  380    HB3  PHE  48           HB1      PHE  48 -16.021 -14.944  26.560
  381    HD1  PHE  48           HD2      PHE  48 -14.090 -16.017  27.740
  382    HD2  PHE  48           HD1      PHE  48 -15.535 -12.114  28.799
  383    HE1  PHE  48           HE2      PHE  48 -12.895 -16.165  29.906
  384    HE2  PHE  48           HE1      PHE  48 -14.336 -12.264  30.967
  385    HZ   PHE  48           HZ       PHE  48 -13.019 -14.287  31.519
  386    H    GLU  49           HN       GLU  49 -16.499 -12.348  24.449
  387    HA   GLU  49           HA       GLU  49 -17.132 -14.366  22.550
  388    HB2  GLU  49           HB2      GLU  49 -18.723 -12.610  23.259
  389    HB3  GLU  49           HB1      GLU  49 -17.729 -11.402  22.445
  390    HG2  GLU  49           HG2      GLU  49 -18.073 -12.521  20.296
  391    HG3  GLU  49           HG1      GLU  49 -18.994 -13.800  21.086
  392    H    LEU  50           HN       LEU  50 -15.336 -11.314  22.304
  393    HA   LEU  50           HA       LEU  50 -14.686 -11.561  19.573
  394    HB2  LEU  50           HB2      LEU  50 -14.484  -9.448  20.867
  395    HB3  LEU  50           HB1      LEU  50 -13.111 -10.136  21.735
  396    HG   LEU  50           HG       LEU  50 -11.919 -10.430  19.573
  397   HD11  LEU  50          HD11      LEU  50 -13.027  -8.913  17.672
  398   HD12  LEU  50          HD12      LEU  50 -14.514  -9.362  18.511
  399   HD13  LEU  50          HD13      LEU  50 -13.460 -10.613  17.851
  400   HD21  LEU  50          HD21      LEU  50 -12.894  -7.681  20.365
  401   HD22  LEU  50          HD22      LEU  50 -11.687  -7.908  19.098
  402   HD23  LEU  50          HD23      LEU  50 -11.352  -8.450  20.742
  403    H    ASN  51           HN       ASN  51 -13.035 -12.638  22.516
  404    HA   ASN  51           HA       ASN  51 -10.621 -13.468  21.360
  405    HB2  ASN  51           HB2      ASN  51 -10.876 -13.328  23.766
  406    HB3  ASN  51           HB1      ASN  51 -12.132 -14.565  23.743
  407   HD21  ASN  51          HD21      ASN  51  -9.730 -15.287  21.446
  408   HD22  ASN  51          HD22      ASN  51  -8.837 -16.392  22.375
  409    H    LYS  52           HN       LYS  52 -13.616 -15.303  21.954
  410    HA   LYS  52           HA       LYS  52 -12.696 -17.733  20.832
  411    HB2  LYS  52           HB2      LYS  52 -15.480 -16.626  21.230
  412    HB3  LYS  52           HB1      LYS  52 -15.157 -18.258  20.642
  413    HG2  LYS  52           HG2      LYS  52 -13.809 -18.699  22.690
  414    HG3  LYS  52           HG1      LYS  52 -14.241 -17.095  23.289
  415    HD2  LYS  52           HD2      LYS  52 -16.216 -19.288  22.590
  416    HD3  LYS  52           HD1      LYS  52 -15.723 -18.852  24.225
  417    HE2  LYS  52           HE2      LYS  52 -17.653 -17.572  24.051
  418    HE3  LYS  52           HE1      LYS  52 -16.485 -16.415  23.412
  419    HZ1  LYS  52           HZ1      LYS  52 -18.701 -17.448  22.124
  420    HZ2  LYS  52           HZ2      LYS  52 -17.361 -18.172  21.374
  421    HZ3  LYS  52           HZ3      LYS  52 -17.483 -16.479  21.447
  422    H    LYS  53           HN       LYS  53 -14.372 -14.939  19.467
  423    HA   LYS  53           HA       LYS  53 -14.901 -16.020  16.919
  424    HB2  LYS  53           HB2      LYS  53 -15.875 -13.917  17.838
  425    HB3  LYS  53           HB1      LYS  53 -14.313 -13.136  17.601
  426    HG2  LYS  53           HG2      LYS  53 -14.411 -13.648  15.190
  427    HG3  LYS  53           HG1      LYS  53 -15.973 -14.433  15.417
  428    HD2  LYS  53           HD2      LYS  53 -15.504 -11.562  16.239
  429    HD3  LYS  53           HD1      LYS  53 -16.002 -11.985  14.601
  430    HE2  LYS  53           HE2      LYS  53 -17.953 -13.258  15.662
  431    HE3  LYS  53           HE1      LYS  53 -17.512 -12.481  17.182
  432    HZ1  LYS  53           HZ1      LYS  53 -18.051 -10.983  14.689
  433    HZ2  LYS  53           HZ2      LYS  53 -17.886 -10.361  16.261
  434    HZ3  LYS  53           HZ3      LYS  53 -19.237 -11.309  15.857
  435    H    ILE  54           HN       ILE  54 -12.146 -14.128  18.143
  436    HA   ILE  54           HA       ILE  54 -10.732 -14.051  15.684
  437    HB   ILE  54           HB       ILE  54  -9.805 -13.786  18.552
  438   HG12  ILE  54          HG12      ILE  54 -10.120 -11.695  16.380
  439   HG13  ILE  54          HG11      ILE  54 -11.379 -12.061  17.561
  440   HG21  ILE  54          HG21      ILE  54  -7.855 -14.449  17.361
  441   HG22  ILE  54          HG22      ILE  54  -7.774 -12.687  17.407
  442   HG23  ILE  54          HG23      ILE  54  -8.306 -13.508  15.941
  443   HD11  ILE  54          HD11      ILE  54  -8.560 -11.165  18.230
  444   HD12  ILE  54          HD12      ILE  54  -9.838 -11.502  19.397
  445   HD13  ILE  54          HD13      ILE  54  -9.993 -10.140  18.286
  446    H    ASN  55           HN       ASN  55 -10.561 -16.219  18.493
  447    HA   ASN  55           HA       ASN  55  -8.428 -17.809  17.551
  448    HB2  ASN  55           HB2      ASN  55  -9.101 -17.878  19.880
  449    HB3  ASN  55           HB1      ASN  55 -10.694 -18.490  19.437
  450   HD21  ASN  55          HD21      ASN  55  -7.848 -19.558  20.696
  451   HD22  ASN  55          HD22      ASN  55  -7.839 -21.147  20.098
  452    H    ASP  56           HN       ASP  56 -11.937 -18.075  17.174
  453    HA   ASP  56           HA       ASP  56 -11.987 -20.594  15.907
  454    HB2  ASP  56           HB2      ASP  56 -13.991 -19.486  16.838
  455    HB3  ASP  56           HB1      ASP  56 -13.898 -18.272  15.562
  456    H    TYR  57           HN       TYR  57 -11.634 -17.312  14.643
  457    HA   TYR  57           HA       TYR  57 -11.854 -17.895  11.905
  458    HB2  TYR  57           HB2      TYR  57 -10.595 -15.715  13.527
  459    HB3  TYR  57           HB1      TYR  57 -10.149 -15.820  11.825
  460    HD1  TYR  57           HD1      TYR  57 -13.412 -16.632  13.473
  461    HD2  TYR  57           HD2      TYR  57 -11.281 -14.027  10.806
  462    HE1  TYR  57           HE1      TYR  57 -15.542 -15.546  12.834
  463    HE2  TYR  57           HE2      TYR  57 -13.413 -12.937  10.167
  464    HH   TYR  57           HH       TYR  57 -15.972 -12.862  11.734
  465    H    ILE  58           HN       ILE  58  -9.033 -17.942  14.058
  466    HA   ILE  58           HA       ILE  58  -7.116 -18.523  12.072
  467    HB   ILE  58           HB       ILE  58  -7.177 -19.136  15.035
  468   HG12  ILE  58          HG12      ILE  58  -5.590 -17.067  13.497
  469   HG13  ILE  58          HG11      ILE  58  -7.172 -16.723  14.210
  470   HG21  ILE  58          HG21      ILE  58  -5.014 -19.504  12.953
  471   HG22  ILE  58          HG22      ILE  58  -5.615 -20.684  14.118
  472   HG23  ILE  58          HG23      ILE  58  -4.639 -19.320  14.668
  473   HD11  ILE  58          HD11      ILE  58  -4.671 -17.617  15.672
  474   HD12  ILE  58          HD12      ILE  58  -6.258 -17.480  16.426
  475   HD13  ILE  58          HD13      ILE  58  -5.458 -16.043  15.788
  476    H    ALA  59           HN       ALA  59  -9.047 -20.629  14.183
  477    HA   ALA  59           HA       ALA  59  -7.935 -23.077  13.312
  478    HB1  ALA  59           HB1      ALA  59  -9.373 -22.689  15.368
  479    HB2  ALA  59           HB2      ALA  59  -9.757 -24.130  14.425
  480    HB3  ALA  59           HB3      ALA  59 -10.765 -22.689  14.285
  481    H    GLU  60           HN       GLU  60 -10.585 -21.094  12.113
  482    HA   GLU  60           HA       GLU  60 -11.556 -23.016  10.234
  483    HB2  GLU  60           HB2      GLU  60 -12.878 -21.073  11.128
  484    HB3  GLU  60           HB1      GLU  60 -11.878 -20.010  10.137
  485    HG2  GLU  60           HG2      GLU  60 -13.870 -20.487   8.870
  486    HG3  GLU  60           HG1      GLU  60 -12.558 -21.402   8.128
  487    H    HIS  61           HN       HIS  61  -9.302 -20.288  10.050
  488    HA   HIS  61           HA       HIS  61  -8.305 -21.343   7.476
  489    HB2  HIS  61           HB2      HIS  61  -8.831 -18.417   8.020
  490    HB3  HIS  61           HB1      HIS  61  -8.210 -19.125   6.528
  491    HD2  HIS  61           HD2      HIS  61 -11.605 -18.317   8.121
  492    HE1  HIS  61           HE1      HIS  61 -12.398 -20.964   4.928
  493    HE2  HIS  61           HE2      HIS  61 -13.451 -19.384   6.615
  494    HA   PRO  62           HA       PRO  62  -4.958 -20.243  10.539
  495    HB2  PRO  62           HB2      PRO  62  -3.814 -22.726  10.729
  496    HB3  PRO  62           HB1      PRO  62  -5.165 -22.204  11.755
  497    HG2  PRO  62           HG2      PRO  62  -5.187 -23.963   9.351
  498    HG3  PRO  62           HG1      PRO  62  -6.154 -24.065  10.832
  499    HD2  PRO  62           HD2      PRO  62  -7.087 -23.025   8.436
  500    HD3  PRO  62           HD1      PRO  62  -7.765 -22.616  10.024
  501    H    THR  63           HN       THR  63  -5.174 -21.666   7.425
  502    HA   THR  63           HA       THR  63  -2.302 -21.465   6.879
  503    HB   THR  63           HB       THR  63  -2.808 -22.516   4.775
  504    HG1  THR  63           HG1      THR  63  -4.656 -21.527   4.149
  505   HG21  THR  63          HG21      THR  63  -2.757 -24.026   6.688
  506   HG22  THR  63          HG22      THR  63  -4.005 -24.560   5.561
  507   HG23  THR  63          HG23      THR  63  -4.455 -23.695   7.031
  508    H    SER  64           HN       SER  64  -5.118 -19.559   6.650
  509    HA   SER  64           HA       SER  64  -4.602 -18.048   4.332
  510    HB2  SER  64           HB2      SER  64  -6.739 -17.795   5.307
  511    HB3  SER  64           HB1      SER  64  -6.066 -17.442   6.896
  512    HG   SER  64           HG       SER  64  -5.963 -15.429   6.330
  513    H    GLY  65           HN       GLY  65  -3.603 -17.560   7.705
  514    HA2  GLY  65           HA2      GLY  65  -1.676 -16.529   8.505
  515    HA3  GLY  65           HA1      GLY  65  -1.242 -16.114   6.849
  516    H    ARG  66           HN       ARG  66  -4.107 -15.023   6.597
  517    HA   ARG  66           HA       ARG  66  -3.444 -12.300   7.173
  518    HB2  ARG  66           HB2      ARG  66  -6.075 -13.553   6.348
  519    HB3  ARG  66           HB1      ARG  66  -5.722 -11.825   6.342
  520    HG2  ARG  66           HG2      ARG  66  -3.948 -13.742   4.831
  521    HG3  ARG  66           HG1      ARG  66  -5.451 -13.168   4.113
  522    HD2  ARG  66           HD2      ARG  66  -4.698 -10.824   4.480
  523    HD3  ARG  66           HD1      ARG  66  -3.168 -11.430   5.104
  524    HE   ARG  66           HE       ARG  66  -3.837 -12.404   2.460
  525   HH11  ARG  66          HH21      ARG  66  -2.370  -9.932   4.386
  526   HH12  ARG  66          HH22      ARG  66  -1.309  -9.388   3.130
  527   HH21  ARG  66          HH11      ARG  66  -2.449 -11.701   0.809
  528   HH22  ARG  66          HH12      ARG  66  -1.355 -10.392   1.102
  529    H    ASN  67           HN       ASN  67  -4.961 -14.823   8.924
  530    HA   ASN  67           HA       ASN  67  -6.607 -13.283  10.641
  531    HB2  ASN  67           HB2      ASN  67  -5.325 -16.002  10.901
  532    HB3  ASN  67           HB1      ASN  67  -6.324 -15.308  12.178
  533   HD21  ASN  67          HD21      ASN  67  -6.930 -17.684  10.452
  534   HD22  ASN  67          HD22      ASN  67  -8.395 -17.315   9.677
  535    H    GLN  68           HN       GLN  68  -3.193 -13.839  10.505
  536    HA   GLN  68           HA       GLN  68  -2.295 -13.547  13.069
  537    HB2  GLN  68           HB2      GLN  68  -1.230 -12.286  10.536
  538    HB3  GLN  68           HB1      GLN  68  -0.362 -12.257  12.071
  539    HG2  GLN  68           HG2      GLN  68  -0.394 -14.718  12.150
  540    HG3  GLN  68           HG1      GLN  68  -1.280 -14.761  10.627
  541   HE21  GLN  68          HE21      GLN  68   0.254 -15.564   9.149
  542   HE22  GLN  68          HE22      GLN  68   1.795 -14.891   8.919
  543    H    ALA  69           HN       ALA  69  -3.800 -11.111  11.055
  544    HA   ALA  69           HA       ALA  69  -3.124  -8.866  12.705
  545    HB1  ALA  69           HB1      ALA  69  -5.264  -9.282  10.607
  546    HB2  ALA  69           HB2      ALA  69  -3.714  -8.468  10.403
  547    HB3  ALA  69           HB3      ALA  69  -4.966  -7.740  11.409
  548    H    LEU  70           HN       LEU  70  -5.824 -11.128  12.541
  549    HA   LEU  70           HA       LEU  70  -7.511  -9.755  14.378
  550    HB2  LEU  70           HB2      LEU  70  -7.443 -12.722  13.796
  551    HB3  LEU  70           HB1      LEU  70  -8.792 -11.795  14.453
  552    HG   LEU  70           HG       LEU  70  -7.560 -11.376  11.716
  553   HD11  LEU  70          HD11      LEU  70 -10.225 -12.581  12.521
  554   HD12  LEU  70          HD12      LEU  70  -8.837 -13.495  11.929
  555   HD13  LEU  70          HD13      LEU  70  -9.651 -12.342  10.871
  556   HD21  LEU  70          HD21      LEU  70  -9.758 -10.004  13.269
  557   HD22  LEU  70          HD22      LEU  70  -9.806 -10.034  11.506
  558   HD23  LEU  70          HD23      LEU  70  -8.446  -9.281  12.334
  559    H    THR  71           HN       THR  71  -4.985 -12.181  14.746
  560    HA   THR  71           HA       THR  71  -5.425 -12.874  17.423
  561    HB   THR  71           HB       THR  71  -2.731 -12.641  16.069
  562    HG1  THR  71           HG1      THR  71  -3.164 -14.774  15.402
  563   HG21  THR  71          HG21      THR  71  -2.535 -13.099  18.426
  564   HG22  THR  71          HG22      THR  71  -2.267 -14.618  17.571
  565   HG23  THR  71          HG23      THR  71  -3.818 -14.307  18.352
  566    H    GLN  72           HN       GLN  72  -3.934 -10.052  15.996
  567    HA   GLN  72           HA       GLN  72  -2.546  -9.091  18.254
  568    HB2  GLN  72           HB2      GLN  72  -3.791  -7.672  15.900
  569    HB3  GLN  72           HB1      GLN  72  -2.815  -6.850  17.114
  570    HG2  GLN  72           HG2      GLN  72  -0.923  -8.342  16.625
  571    HG3  GLN  72           HG1      GLN  72  -1.898  -9.200  15.432
  572   HE21  GLN  72          HE21      GLN  72  -1.032  -8.587  13.430
  573   HE22  GLN  72          HE22      GLN  72  -0.754  -6.981  12.958
  574    H    LEU  73           HN       LEU  73  -5.905  -8.746  17.220
  575    HA   LEU  73           HA       LEU  73  -6.681  -6.792  19.101
  576    HB2  LEU  73           HB2      LEU  73  -8.143  -8.896  17.534
  577    HB3  LEU  73           HB1      LEU  73  -9.004  -7.931  18.728
  578    HG   LEU  73           HG       LEU  73  -7.277  -6.586  16.648
  579   HD11  LEU  73          HD11      LEU  73  -8.798  -8.074  15.410
  580   HD12  LEU  73          HD12      LEU  73  -9.258  -6.387  15.199
  581   HD13  LEU  73          HD13      LEU  73 -10.173  -7.416  16.297
  582   HD21  LEU  73          HD21      LEU  73  -9.690  -5.788  18.313
  583   HD22  LEU  73          HD22      LEU  73  -9.082  -4.814  16.979
  584   HD23  LEU  73          HD23      LEU  73  -8.062  -5.110  18.381
  585    H    LYS  74           HN       LYS  74  -6.595 -10.322  19.246
  586    HA   LYS  74           HA       LYS  74  -7.925 -10.682  21.678
  587    HB2  LYS  74           HB2      LYS  74  -7.274 -12.539  20.201
  588    HB3  LYS  74           HB1      LYS  74  -5.577 -12.244  20.576
  589    HG2  LYS  74           HG2      LYS  74  -5.996 -12.737  22.953
  590    HG3  LYS  74           HG1      LYS  74  -7.706 -12.991  22.605
  591    HD2  LYS  74           HD2      LYS  74  -7.135 -14.858  21.113
  592    HD3  LYS  74           HD1      LYS  74  -5.420 -14.596  21.433
  593    HE2  LYS  74           HE2      LYS  74  -5.782 -15.049  23.823
  594    HE3  LYS  74           HE1      LYS  74  -7.501 -15.296  23.525
  595    HZ1  LYS  74           HZ1      LYS  74  -7.126 -17.352  22.818
  596    HZ2  LYS  74           HZ2      LYS  74  -5.538 -17.197  23.405
  597    HZ3  LYS  74           HZ3      LYS  74  -5.882 -16.858  21.776
  598    H    GLU  75           HN       GLU  75  -4.441 -10.211  21.078
  599    HA   GLU  75           HA       GLU  75  -3.718 -10.205  23.830
  600    HB2  GLU  75           HB2      GLU  75  -2.307  -9.137  21.376
  601    HB3  GLU  75           HB1      GLU  75  -1.584  -9.185  22.984
  602    HG2  GLU  75           HG2      GLU  75  -1.865 -11.613  23.075
  603    HG3  GLU  75           HG1      GLU  75  -2.672 -11.599  21.508
  604    H    GLN  76           HN       GLN  76  -4.667  -7.696  21.549
  605    HA   GLN  76           HA       GLN  76  -3.909  -5.460  23.094
  606    HB2  GLN  76           HB2      GLN  76  -4.572  -5.434  20.662
  607    HB3  GLN  76           HB1      GLN  76  -6.247  -5.621  21.180
  608    HG2  GLN  76           HG2      GLN  76  -5.829  -3.261  20.843
  609    HG3  GLN  76           HG1      GLN  76  -5.976  -3.546  22.577
  610   HE21  GLN  76          HE21      GLN  76  -4.558  -1.898  23.341
  611   HE22  GLN  76          HE22      GLN  76  -2.906  -1.845  22.956
  612    H    VAL  77           HN       VAL  77  -7.095  -7.035  22.744
  613    HA   VAL  77           HA       VAL  77  -8.427  -5.472  24.670
  614    HB   VAL  77           HB       VAL  77  -8.958  -8.293  23.711
  615   HG11  VAL  77          HG11      VAL  77 -10.088  -8.102  25.800
  616   HG12  VAL  77          HG12      VAL  77 -11.307  -7.735  24.580
  617   HG13  VAL  77          HG13      VAL  77 -10.545  -6.428  25.484
  618   HG21  VAL  77          HG21      VAL  77 -10.826  -7.013  22.496
  619   HG22  VAL  77          HG22      VAL  77  -9.187  -6.770  21.893
  620   HG23  VAL  77          HG23      VAL  77  -9.945  -5.546  22.911
  621    H    THR  78           HN       THR  78  -6.730  -8.577  24.937
  622    HA   THR  78           HA       THR  78  -7.326  -9.126  27.619
  623    HB   THR  78           HB       THR  78  -4.843  -9.805  26.026
  624    HG1  THR  78           HG1      THR  78  -7.035 -11.458  26.664
  625   HG21  THR  78          HG21      THR  78  -4.809 -11.732  27.744
  626   HG22  THR  78          HG22      THR  78  -5.864 -10.707  28.717
  627   HG23  THR  78          HG23      THR  78  -4.248 -10.149  28.284
  628    H    SER  79           HN       SER  79  -4.636  -7.293  26.191
  629    HA   SER  79           HA       SER  79  -3.303  -6.742  28.630
  630    HB2  SER  79           HB2      SER  79  -2.162  -4.967  27.343
  631    HB3  SER  79           HB1      SER  79  -2.192  -6.496  26.469
  632    HG   SER  79           HG       SER  79  -3.041  -4.199  25.609
  633    H    ALA  80           HN       ALA  80  -5.914  -5.133  26.898
  634    HA   ALA  80           HA       ALA  80  -5.927  -2.703  28.312
  635    HB1  ALA  80           HB1      ALA  80  -8.342  -4.135  27.197
  636    HB2  ALA  80           HB2      ALA  80  -7.215  -3.197  26.216
  637    HB3  ALA  80           HB3      ALA  80  -8.160  -2.402  27.474
  638    H    LEU  81           HN       LEU  81  -7.471  -5.801  28.990
  639    HA   LEU  81           HA       LEU  81  -8.975  -4.931  31.232
  640    HB2  LEU  81           HB2      LEU  81  -7.924  -7.686  30.558
  641    HB3  LEU  81           HB1      LEU  81  -9.176  -7.317  31.746
  642    HG   LEU  81           HG       LEU  81  -9.366  -6.563  28.820
  643   HD11  LEU  81          HD11      LEU  81 -11.073  -8.470  28.780
  644   HD12  LEU  81          HD12      LEU  81 -10.393  -8.989  30.323
  645   HD13  LEU  81          HD13      LEU  81  -9.381  -8.961  28.878
  646   HD21  LEU  81          HD21      LEU  81 -10.872  -5.168  29.970
  647   HD22  LEU  81          HD22      LEU  81 -11.221  -6.385  31.199
  648   HD23  LEU  81          HD23      LEU  81 -11.892  -6.549  29.575
  649    H    GLY  82           HN       GLY  82  -5.662  -5.878  30.802
  650    HA2  GLY  82           HA2      GLY  82  -3.899  -5.361  32.269
  651    HA3  GLY  82           HA1      GLY  82  -5.065  -5.115  33.564
  652    H    LEU  83           HN       LEU  83  -5.645  -7.951  31.801
  653    HA   LEU  83           HA       LEU  83  -5.074  -9.621  34.038
  654    HB2  LEU  83           HB2      LEU  83  -6.045 -10.035  31.245
  655    HB3  LEU  83           HB1      LEU  83  -5.369 -11.438  32.067
  656    HG   LEU  83           HG       LEU  83  -6.962 -10.790  34.026
  657   HD11  LEU  83          HD11      LEU  83  -8.600  -9.507  31.856
  658   HD12  LEU  83          HD12      LEU  83  -7.448  -8.531  32.769
  659   HD13  LEU  83          HD13      LEU  83  -8.757  -9.361  33.609
  660   HD21  LEU  83          HD21      LEU  83  -8.794 -12.055  33.003
  661   HD22  LEU  83          HD22      LEU  83  -7.247 -12.757  32.539
  662   HD23  LEU  83          HD23      LEU  83  -8.134 -11.751  31.395
  663    H    GLU  84           HN       GLU  84  -3.404  -8.955  31.010
  664    HA   GLU  84           HA       GLU  84  -1.269  -9.428  30.322
  665    HB2  GLU  84           HB2      GLU  84  -0.726  -8.216  32.428
  666    HB3  GLU  84           HB1      GLU  84  -0.729  -9.758  33.282
  667    HG2  GLU  84           HG2      GLU  84   1.066 -10.589  31.831
  668    HG3  GLU  84           HG1      GLU  84   1.057  -9.071  30.935
  669    H    HIS  85           HN       HIS  85  -1.186 -11.291  29.215
  670    HA   HIS  85           HA       HIS  85  -1.729 -13.848  30.408
  671    HB2  HIS  85           HB2      HIS  85  -1.126 -14.748  28.203
  672    HB3  HIS  85           HB1      HIS  85  -2.242 -13.392  28.047
  673    HD2  HIS  85           HD2      HIS  85  -0.782 -10.846  27.443
  674    HE1  HIS  85           HE1      HIS  85   2.386 -12.917  25.574
  675    HE2  HIS  85           HE2      HIS  85   1.312 -10.639  25.897
  676    H    HIS  86           HN       HIS  86  -0.301 -15.498  30.899
  677    HA   HIS  86           HA       HIS  86   2.205 -14.798  31.958
  678    HB2  HIS  86           HB2      HIS  86   0.929 -16.786  32.671
  679    HB3  HIS  86           HB1      HIS  86   1.224 -17.530  31.100
  680    HD2  HIS  86           HD2      HIS  86   3.685 -18.820  30.886
  681    HE1  HIS  86           HE1      HIS  86   5.367 -17.394  34.487
  682    HE2  HIS  86           HE2      HIS  86   5.712 -18.969  32.525
  683    H    HIS  87           HN       HIS  87   1.361 -16.433  28.911
  684    HA   HIS  87           HA       HIS  87   3.625 -15.316  27.558
  685    HB2  HIS  87           HB2      HIS  87   4.753 -17.108  28.845
  686    HB3  HIS  87           HB1      HIS  87   3.680 -18.294  28.101
  687    HD2  HIS  87           HD2      HIS  87   5.389 -19.519  26.283
  688    HE1  HIS  87           HE1      HIS  87   6.887 -16.013  24.470
  689    HE2  HIS  87           HE2      HIS  87   6.881 -18.551  24.370
  690    H    HIS  88           HN       HIS  88   2.144 -18.509  27.128
  691    HA   HIS  88           HA       HIS  88   0.925 -19.398  25.396
  692    HB2  HIS  88           HB2      HIS  88  -0.204 -16.594  25.481
  693    HB3  HIS  88           HB1      HIS  88  -0.866 -17.878  24.470
  694    HD2  HIS  88           HD2      HIS  88  -2.445 -19.746  25.836
  695    HE1  HIS  88           HE1      HIS  88  -1.788 -18.235  29.723
  696    HE2  HIS  88           HE2      HIS  88  -3.125 -19.904  28.352
  697    H    HIS  89           HN       HIS  89   2.019 -19.947  23.616
  698    HA   HIS  89           HA       HIS  89   2.387 -17.974  21.496
  699    HB2  HIS  89           HB2      HIS  89   4.771 -18.424  21.232
  700    HB3  HIS  89           HB1      HIS  89   4.460 -17.797  22.851
  701    HD2  HIS  89           HD2      HIS  89   6.117 -20.836  21.242
  702    HE1  HIS  89           HE1      HIS  89   5.380 -21.915  25.256
  703    HE2  HIS  89           HE2      HIS  89   6.596 -22.578  23.128
  704    H    HIS  90           HN       HIS  90   2.767 -18.924  19.447
  705    HA   HIS  90           HA       HIS  90   1.500 -21.443  19.072
  706    HB2  HIS  90           HB2      HIS  90   3.086 -19.665  17.213
  707    HB3  HIS  90           HB1      HIS  90   2.299 -21.154  16.689
  708    HD2  HIS  90           HD2      HIS  90   1.394 -17.480  17.135
  709    HE1  HIS  90           HE1      HIS  90  -2.275 -19.570  17.121
  710    HE2  HIS  90           HE2      HIS  90  -1.206 -17.270  16.990
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  -8.405   6.791  22.860
    2    H2   MET   1           HT2      MET   1  -6.780   6.335  22.670
    3    H3   MET   1           HT3      MET   1  -7.187   7.643  23.675
    4    HA   MET   1           HA       MET   1  -7.139   6.218  25.361
    5    HB2  MET   1           HB2      MET   1  -9.599   5.245  23.882
    6    HB3  MET   1           HB1      MET   1  -9.186   4.745  25.523
    7    HG2  MET   1           HG2      MET   1  -9.269   7.058  26.293
    8    HG3  MET   1           HG1      MET   1  -9.551   7.625  24.649
    9    HE1  MET   1           HE1      MET   1 -11.305   4.346  26.437
   10    HE2  MET   1           HE2      MET   1 -12.300   5.366  27.473
   11    HE3  MET   1           HE3      MET   1 -10.548   5.536  27.505
   12    H    GLY   2           HN       GLY   2  -5.667   4.685  25.702
   13    HA2  GLY   2           HA2      GLY   2  -4.421   2.762  25.494
   14    HA3  GLY   2           HA1      GLY   2  -5.867   2.028  24.804
   15    H    GLN   3           HN       GLN   3  -4.952   0.912  23.129
   16    HA   GLN   3           HA       GLN   3  -4.138   2.467  20.820
   17    HB2  GLN   3           HB2      GLN   3  -2.007   2.225  22.051
   18    HB3  GLN   3           HB1      GLN   3  -2.214   0.473  22.043
   19    HG2  GLN   3           HG2      GLN   3  -2.149   0.429  19.609
   20    HG3  GLN   3           HG1      GLN   3  -2.097   2.190  19.546
   21   HE21  GLN   3          HE21      GLN   3  -0.027   3.044  19.354
   22   HE22  GLN   3          HE22      GLN   3   1.400   2.256  19.830
   23    H    ILE   4           HN       ILE   4  -6.028   1.513  19.949
   24    HA   ILE   4           HA       ILE   4  -5.646  -1.275  19.071
   25    HB   ILE   4           HB       ILE   4  -8.159  -0.129  20.171
   26   HG12  ILE   4          HG12      ILE   4  -6.592  -2.549  21.057
   27   HG13  ILE   4          HG11      ILE   4  -6.400  -0.960  21.792
   28   HG21  ILE   4          HG21      ILE   4  -8.823  -1.472  18.329
   29   HG22  ILE   4          HG22      ILE   4  -8.978  -2.529  19.730
   30   HG23  ILE   4          HG23      ILE   4  -7.577  -2.672  18.668
   31   HD11  ILE   4          HD11      ILE   4  -9.024  -2.458  21.621
   32   HD12  ILE   4          HD12      ILE   4  -8.745  -0.923  22.442
   33   HD13  ILE   4          HD13      ILE   4  -7.993  -2.398  23.050
   34    H    PHE   5           HN       PHE   5  -6.765  -1.817  17.110
   35    HA   PHE   5           HA       PHE   5  -6.658   0.270  15.171
   36    HB2  PHE   5           HB2      PHE   5  -7.621  -2.596  15.116
   37    HB3  PHE   5           HB1      PHE   5  -7.762  -1.546  13.704
   38    HD1  PHE   5           HD2      PHE   5  -5.380  -3.138  16.054
   39    HD2  PHE   5           HD1      PHE   5  -5.834  -0.883  12.427
   40    HE1  PHE   5           HE2      PHE   5  -3.000  -3.549  15.497
   41    HE2  PHE   5           HE1      PHE   5  -3.453  -1.297  11.870
   42    HZ   PHE   5           HZ       PHE   5  -2.036  -2.633  13.405
   43    H    THR   6           HN       THR   6  -8.211   1.537  14.339
   44    HA   THR   6           HA       THR   6 -10.708   1.768  15.723
   45    HB   THR   6           HB       THR   6 -10.012   3.088  13.105
   46    HG1  THR   6           HG1      THR   6  -9.452   4.263  15.580
   47   HG21  THR   6          HG21      THR   6 -12.318   3.317  14.040
   48   HG22  THR   6          HG22      THR   6 -11.455   4.854  13.955
   49   HG23  THR   6          HG23      THR   6 -11.619   4.018  15.500
   50    H    VAL   7           HN       VAL   7 -12.797   1.435  14.908
   51    HA   VAL   7           HA       VAL   7 -13.185  -0.903  13.412
   52    HB   VAL   7           HB       VAL   7 -14.833   0.070  15.016
   53   HG11  VAL   7          HG11      VAL   7 -14.501   2.427  14.028
   54   HG12  VAL   7          HG12      VAL   7 -16.150   1.956  14.432
   55   HG13  VAL   7          HG13      VAL   7 -15.610   1.918  12.754
   56   HG21  VAL   7          HG21      VAL   7 -16.818  -0.490  13.668
   57   HG22  VAL   7          HG22      VAL   7 -15.518  -1.651  13.381
   58   HG23  VAL   7          HG23      VAL   7 -15.856  -0.391  12.195
   59    H    GLN   8           HN       GLN   8 -13.322   2.501  12.474
   60    HA   GLN   8           HA       GLN   8 -14.338   2.232   9.904
   61    HB2  GLN   8           HB2      GLN   8 -13.937   4.398  11.060
   62    HB3  GLN   8           HB1      GLN   8 -12.205   4.183  10.799
   63    HG2  GLN   8           HG2      GLN   8 -12.565   4.126   8.364
   64    HG3  GLN   8           HG1      GLN   8 -14.301   4.306   8.611
   65   HE21  GLN   8          HE21      GLN   8 -12.768   6.225   7.112
   66   HE22  GLN   8          HE22      GLN   8 -12.767   7.685   7.977
   67    H    GLU   9           HN       GLU   9 -11.004   1.927  11.046
   68    HA   GLU   9           HA       GLU   9  -9.884   1.539   8.444
   69    HB2  GLU   9           HB2      GLU   9  -8.795   0.868  11.187
   70    HB3  GLU   9           HB1      GLU   9  -7.866   0.826   9.689
   71    HG2  GLU   9           HG2      GLU   9  -9.304   3.285  10.720
   72    HG3  GLU   9           HG1      GLU   9  -7.588   2.965  10.974
   73    H    LEU  10           HN       LEU  10 -11.105  -0.587  10.958
   74    HA   LEU  10           HA       LEU  10 -10.140  -3.010   9.854
   75    HB2  LEU  10           HB2      LEU  10 -12.425  -2.415  11.736
   76    HB3  LEU  10           HB1      LEU  10 -11.934  -4.050  11.306
   77    HG   LEU  10           HG       LEU  10 -10.059  -1.980  12.498
   78   HD11  LEU  10          HD11      LEU  10 -11.989  -2.778  14.001
   79   HD12  LEU  10          HD12      LEU  10 -10.361  -3.016  14.621
   80   HD13  LEU  10          HD13      LEU  10 -11.242  -4.368  13.916
   81   HD21  LEU  10          HD21      LEU  10  -8.625  -3.511  11.520
   82   HD22  LEU  10          HD22      LEU  10  -9.786  -4.834  11.591
   83   HD23  LEU  10          HD23      LEU  10  -8.904  -4.355  13.035
   84    H    LYS  11           HN       LYS  11 -12.938  -1.060   9.213
   85    HA   LYS  11           HA       LYS  11 -14.635  -2.882   8.007
   86    HB2  LYS  11           HB2      LYS  11 -14.064   0.026   7.468
   87    HB3  LYS  11           HB1      LYS  11 -15.244  -0.842   6.492
   88    HG2  LYS  11           HG2      LYS  11 -16.482  -1.456   8.526
   89    HG3  LYS  11           HG1      LYS  11 -15.298  -0.608   9.515
   90    HD2  LYS  11           HD2      LYS  11 -15.845   1.500   8.299
   91    HD3  LYS  11           HD1      LYS  11 -17.093   0.631   7.412
   92    HE2  LYS  11           HE2      LYS  11 -17.002   0.792  10.435
   93    HE3  LYS  11           HE1      LYS  11 -17.945   1.891   9.428
   94    HZ1  LYS  11           HZ1      LYS  11 -19.221   0.092   8.595
   95    HZ2  LYS  11           HZ2      LYS  11 -19.188  -0.073  10.286
   96    HZ3  LYS  11           HZ3      LYS  11 -18.206  -1.061   9.314
   97    H    GLU  12           HN       GLU  12 -11.806  -1.261   6.636
   98    HA   GLU  12           HA       GLU  12 -12.176  -2.175   3.984
   99    HB2  GLU  12           HB2      GLU  12  -9.697  -1.300   5.476
  100    HB3  GLU  12           HB1      GLU  12  -9.729  -1.648   3.747
  101    HG2  GLU  12           HG2      GLU  12 -11.450   0.077   3.416
  102    HG3  GLU  12           HG1      GLU  12 -11.465   0.409   5.147
  103    H    ARG  13           HN       ARG  13  -9.890  -3.326   6.468
  104    HA   ARG  13           HA       ARG  13  -9.156  -5.642   4.986
  105    HB2  ARG  13           HB2      ARG  13  -8.782  -4.887   7.885
  106    HB3  ARG  13           HB1      ARG  13  -8.120  -6.358   7.170
  107    HG2  ARG  13           HG2      ARG  13  -6.882  -5.014   5.519
  108    HG3  ARG  13           HG1      ARG  13  -7.558  -3.536   6.207
  109    HD2  ARG  13           HD2      ARG  13  -5.900  -5.526   7.777
  110    HD3  ARG  13           HD1      ARG  13  -5.242  -4.073   7.031
  111    HE   ARG  13           HE       ARG  13  -7.348  -3.188   8.577
  112   HH11  ARG  13          HH21      ARG  13  -4.458  -5.033   9.053
  113   HH12  ARG  13          HH22      ARG  13  -4.229  -4.511  10.688
  114   HH21  ARG  13          HH11      ARG  13  -7.054  -2.500  10.722
  115   HH22  ARG  13          HH12      ARG  13  -5.699  -3.077  11.633
  116    H    ALA  14           HN       ALA  14 -11.492  -5.021   7.525
  117    HA   ALA  14           HA       ALA  14 -12.160  -7.730   8.040
  118    HB1  ALA  14           HB1      ALA  14 -12.646  -5.819   9.589
  119    HB2  ALA  14           HB2      ALA  14 -14.036  -6.857   9.281
  120    HB3  ALA  14           HB3      ALA  14 -13.906  -5.296   8.470
  121    H    LYS  15           HN       LYS  15 -12.727  -5.758   5.381
  122    HA   LYS  15           HA       LYS  15 -15.325  -6.451   4.606
  123    HB2  LYS  15           HB2      LYS  15 -13.937  -4.706   3.509
  124    HB3  LYS  15           HB1      LYS  15 -12.924  -5.972   2.823
  125    HG2  LYS  15           HG2      LYS  15 -15.832  -6.374   2.327
  126    HG3  LYS  15           HG1      LYS  15 -15.173  -4.920   1.584
  127    HD2  LYS  15           HD2      LYS  15 -13.400  -6.254   0.520
  128    HD3  LYS  15           HD1      LYS  15 -14.035  -7.715   1.274
  129    HE2  LYS  15           HE2      LYS  15 -16.183  -7.368   0.116
  130    HE3  LYS  15           HE1      LYS  15 -15.517  -5.934  -0.662
  131    HZ1  LYS  15           HZ1      LYS  15 -13.717  -8.032  -1.039
  132    HZ2  LYS  15           HZ2      LYS  15 -14.645  -7.227  -2.214
  133    HZ3  LYS  15           HZ3      LYS  15 -15.258  -8.614  -1.445
  134    H    VAL  16           HN       VAL  16 -12.220  -8.045   3.896
  135    HA   VAL  16           HA       VAL  16 -11.741 -10.124   3.031
  136    HB   VAL  16           HB       VAL  16 -14.237 -10.860   4.577
  137   HG11  VAL  16          HG11      VAL  16 -11.812 -12.451   3.691
  138   HG12  VAL  16          HG12      VAL  16 -13.468 -12.659   3.120
  139   HG13  VAL  16          HG13      VAL  16 -13.055 -13.051   4.789
  140   HG21  VAL  16          HG21      VAL  16 -12.719  -9.637   6.022
  141   HG22  VAL  16          HG22      VAL  16 -11.340 -10.557   5.422
  142   HG23  VAL  16          HG23      VAL  16 -12.571 -11.353   6.402
  143    H    PHE  17           HN       PHE  17 -11.947 -10.687   0.968
  144    HA   PHE  17           HA       PHE  17 -14.289 -10.152  -0.566
  145    HB2  PHE  17           HB2      PHE  17 -11.803 -11.781  -1.134
  146    HB3  PHE  17           HB1      PHE  17 -13.075 -11.510  -2.325
  147    HD1  PHE  17           HD2      PHE  17 -13.567  -9.224  -3.147
  148    HD2  PHE  17           HD1      PHE  17 -10.297 -10.012  -0.474
  149    HE1  PHE  17           HE2      PHE  17 -12.595  -7.007  -3.683
  150    HE2  PHE  17           HE1      PHE  17  -9.324  -7.794  -1.011
  151    HZ   PHE  17           HZ       PHE  17 -10.473  -6.292  -2.616
  152    H    ALA  18           HN       ALA  18 -15.964 -11.437  -1.132
  153    HA   ALA  18           HA       ALA  18 -17.474 -13.165  -0.971
  154    HB1  ALA  18           HB1      ALA  18 -14.921 -14.781  -1.157
  155    HB2  ALA  18           HB2      ALA  18 -15.907 -14.229  -2.513
  156    HB3  ALA  18           HB3      ALA  18 -16.548 -15.423  -1.384
  157    H    LYS  19           HN       LYS  19 -16.754 -12.027   1.469
  158    HA   LYS  19           HA       LYS  19 -15.876 -13.560   3.475
  159    HB2  LYS  19           HB2      LYS  19 -17.899 -12.376   4.823
  160    HB3  LYS  19           HB1      LYS  19 -16.473 -11.488   4.294
  161    HG2  LYS  19           HG2      LYS  19 -18.584 -10.361   3.664
  162    HG3  LYS  19           HG1      LYS  19 -17.627 -10.794   2.258
  163    HD2  LYS  19           HD2      LYS  19 -19.048 -12.579   1.670
  164    HD3  LYS  19           HD1      LYS  19 -19.729 -12.696   3.290
  165    HE2  LYS  19           HE2      LYS  19 -20.120 -10.277   1.522
  166    HE3  LYS  19           HE1      LYS  19 -21.240 -11.640   1.536
  167    HZ1  LYS  19           HZ1      LYS  19 -21.472 -11.320   3.952
  168    HZ2  LYS  19           HZ2      LYS  19 -21.995  -9.970   3.062
  169    HZ3  LYS  19           HZ3      LYS  19 -20.492  -9.939   3.852
  170    HA   PRO  20           HA       PRO  20 -18.457 -17.083   4.134
  171    HB2  PRO  20           HB2      PRO  20 -18.836 -16.238   6.983
  172    HB3  PRO  20           HB1      PRO  20 -18.178 -17.754   6.337
  173    HG2  PRO  20           HG2      PRO  20 -16.598 -15.901   7.435
  174    HG3  PRO  20           HG1      PRO  20 -16.072 -16.865   6.042
  175    HD2  PRO  20           HD2      PRO  20 -16.972 -14.018   6.131
  176    HD3  PRO  20           HD1      PRO  20 -15.735 -14.799   5.130
  177    H    ILE  21           HN       ILE  21 -20.637 -17.714   4.305
  178    HA   ILE  21           HA       ILE  21 -22.571 -15.695   3.815
  179    HB   ILE  21           HB       ILE  21 -24.202 -17.577   3.944
  180   HG12  ILE  21          HG12      ILE  21 -21.759 -19.271   4.544
  181   HG13  ILE  21          HG11      ILE  21 -22.929 -18.790   5.777
  182   HG21  ILE  21          HG21      ILE  21 -23.119 -18.922   2.095
  183   HG22  ILE  21          HG22      ILE  21 -21.644 -17.997   2.376
  184   HG23  ILE  21          HG23      ILE  21 -23.108 -17.179   1.831
  185   HD11  ILE  21          HD11      ILE  21 -23.388 -21.054   4.826
  186   HD12  ILE  21          HD12      ILE  21 -23.643 -20.302   3.252
  187   HD13  ILE  21          HD13      ILE  21 -24.720 -19.923   4.596
  188    H    GLY  22           HN       GLY  22 -24.393 -15.108   5.077
  189    HA2  GLY  22           HA2      GLY  22 -25.637 -14.841   7.038
  190    HA3  GLY  22           HA1      GLY  22 -24.495 -15.879   7.885
  191    H    ALA  23           HN       ALA  23 -23.138 -13.369   5.975
  192    HA   ALA  23           HA       ALA  23 -21.733 -11.646   6.623
  193    HB1  ALA  23           HB1      ALA  23 -24.249 -10.990   8.175
  194    HB2  ALA  23           HB2      ALA  23 -23.909 -10.534   6.506
  195    HB3  ALA  23           HB3      ALA  23 -22.948  -9.855   7.819
  196    H    SER  24           HN       SER  24 -20.325 -13.139   7.821
  197    HA   SER  24           HA       SER  24 -20.635 -13.302  10.701
  198    HB2  SER  24           HB2      SER  24 -18.560 -14.275   8.747
  199    HB3  SER  24           HB1      SER  24 -18.294 -14.362  10.487
  200    HG   SER  24           HG       SER  24 -19.358 -16.173  10.239
  201    H    TYR  25           HN       TYR  25 -19.281 -11.112   8.466
  202    HA   TYR  25           HA       TYR  25 -17.150 -10.107  10.098
  203    HB2  TYR  25           HB2      TYR  25 -16.996  -8.327   8.464
  204    HB3  TYR  25           HB1      TYR  25 -17.259  -9.849   7.611
  205    HD1  TYR  25           HD1      TYR  25 -19.483 -10.394   6.662
  206    HD2  TYR  25           HD2      TYR  25 -18.679  -6.597   8.500
  207    HE1  TYR  25           HE1      TYR  25 -21.534  -9.460   5.629
  208    HE2  TYR  25           HE2      TYR  25 -20.729  -5.661   7.467
  209    HH   TYR  25           HH       TYR  25 -23.090  -6.949   6.579
  210    H    GLN  26           HN       GLN  26 -20.553  -9.696  10.066
  211    HA   GLN  26           HA       GLN  26 -20.796  -7.071  11.057
  212    HB2  GLN  26           HB2      GLN  26 -22.703  -8.377  10.197
  213    HB3  GLN  26           HB1      GLN  26 -22.576  -9.465  11.580
  214    HG2  GLN  26           HG2      GLN  26 -23.089  -7.678  13.121
  215    HG3  GLN  26           HG1      GLN  26 -23.004  -6.478  11.833
  216   HE21  GLN  26          HE21      GLN  26 -25.374  -6.789  13.412
  217   HE22  GLN  26          HE22      GLN  26 -26.602  -7.402  12.412
  218    H    GLY  27           HN       GLY  27 -20.453 -10.184  12.732
  219    HA2  GLY  27           HA2      GLY  27 -20.655  -9.145  15.366
  220    HA3  GLY  27           HA1      GLY  27 -19.953 -10.697  14.922
  221    H    ILE  28           HN       ILE  28 -18.005  -9.470  13.098
  222    HA   ILE  28           HA       ILE  28 -15.895  -9.033  14.973
  223    HB   ILE  28           HB       ILE  28 -15.853  -8.463  12.003
  224   HG12  ILE  28          HG12      ILE  28 -16.705 -10.718  12.328
  225   HG13  ILE  28          HG11      ILE  28 -15.018 -10.829  11.826
  226   HG21  ILE  28          HG21      ILE  28 -13.726  -9.187  14.040
  227   HG22  ILE  28          HG22      ILE  28 -13.899  -7.639  13.210
  228   HG23  ILE  28          HG23      ILE  28 -13.443  -9.082  12.302
  229   HD11  ILE  28          HD11      ILE  28 -14.516 -10.862  14.406
  230   HD12  ILE  28          HD12      ILE  28 -15.109 -12.325  13.634
  231   HD13  ILE  28          HD13      ILE  28 -16.215 -11.304  14.546
  232    H    LEU  29           HN       LEU  29 -18.115  -6.973  13.345
  233    HA   LEU  29           HA       LEU  29 -16.501  -4.581  13.860
  234    HB2  LEU  29           HB2      LEU  29 -17.663  -4.713  11.734
  235    HB3  LEU  29           HB1      LEU  29 -19.203  -4.966  12.549
  236    HG   LEU  29           HG       LEU  29 -17.756  -2.556  13.512
  237   HD11  LEU  29          HD11      LEU  29 -18.236  -1.197  11.522
  238   HD12  LEU  29          HD12      LEU  29 -18.781  -2.638  10.663
  239   HD13  LEU  29          HD13      LEU  29 -17.091  -2.482  11.140
  240   HD21  LEU  29          HD21      LEU  29 -20.115  -3.154  14.070
  241   HD22  LEU  29          HD22      LEU  29 -20.537  -2.957  12.372
  242   HD23  LEU  29          HD23      LEU  29 -19.985  -1.569  13.310
  243    H    ASP  30           HN       ASP  30 -19.583  -6.040  14.842
  244    HA   ASP  30           HA       ASP  30 -20.490  -3.983  16.506
  245    HB2  ASP  30           HB2      ASP  30 -21.885  -5.895  15.833
  246    HB3  ASP  30           HB1      ASP  30 -20.897  -6.968  16.822
  247    H    GLN  31           HN       GLN  31 -18.462  -6.801  17.270
  248    HA   GLN  31           HA       GLN  31 -18.247  -6.250  20.029
  249    HB2  GLN  31           HB2      GLN  31 -17.224  -8.189  18.172
  250    HB3  GLN  31           HB1      GLN  31 -15.855  -7.580  19.093
  251    HG2  GLN  31           HG2      GLN  31 -16.772  -9.458  20.295
  252    HG3  GLN  31           HG1      GLN  31 -17.158  -7.992  21.196
  253   HE21  GLN  31          HE21      GLN  31 -18.535 -10.666  19.409
  254   HE22  GLN  31          HE22      GLN  31 -20.160 -10.242  19.651
  255    H    LEU  32           HN       LEU  32 -16.262  -5.289  17.277
  256    HA   LEU  32           HA       LEU  32 -14.191  -4.084  18.746
  257    HB2  LEU  32           HB2      LEU  32 -15.222  -3.897  15.943
  258    HB3  LEU  32           HB1      LEU  32 -14.127  -2.621  16.464
  259    HG   LEU  32           HG       LEU  32 -13.024  -4.648  15.373
  260   HD11  LEU  32          HD11      LEU  32 -11.118  -4.364  16.671
  261   HD12  LEU  32          HD12      LEU  32 -11.989  -4.442  18.192
  262   HD13  LEU  32          HD13      LEU  32 -12.033  -2.972  17.229
  263   HD21  LEU  32          HD21      LEU  32 -13.038  -6.744  16.387
  264   HD22  LEU  32          HD22      LEU  32 -14.639  -6.205  16.839
  265   HD23  LEU  32          HD23      LEU  32 -13.328  -6.096  17.994
  266    H    ASP  33           HN       ASP  33 -17.217  -2.788  17.530
  267    HA   ASP  33           HA       ASP  33 -16.731  -0.112  18.344
  268    HB2  ASP  33           HB2      ASP  33 -19.201  -1.708  17.672
  269    HB3  ASP  33           HB1      ASP  33 -19.348  -0.070  18.308
  270    H    LEU  34           HN       LEU  34 -18.027  -2.936  19.973
  271    HA   LEU  34           HA       LEU  34 -19.082  -1.608  22.212
  272    HB2  LEU  34           HB2      LEU  34 -19.695  -3.910  21.727
  273    HB3  LEU  34           HB1      LEU  34 -18.024  -4.435  21.933
  274    HG   LEU  34           HG       LEU  34 -18.090  -3.780  24.306
  275   HD11  LEU  34          HD11      LEU  34 -20.777  -2.687  23.489
  276   HD12  LEU  34          HD12      LEU  34 -19.519  -1.936  24.471
  277   HD13  LEU  34          HD13      LEU  34 -20.521  -3.211  25.153
  278   HD21  LEU  34          HD21      LEU  34 -20.547  -5.400  23.610
  279   HD22  LEU  34          HD22      LEU  34 -19.607  -5.475  25.101
  280   HD23  LEU  34          HD23      LEU  34 -18.903  -6.041  23.584
  281    H    VAL  35           HN       VAL  35 -15.893  -2.984  21.572
  282    HA   VAL  35           HA       VAL  35 -14.801  -2.748  24.110
  283    HB   VAL  35           HB       VAL  35 -13.847  -3.680  21.787
  284   HG11  VAL  35          HG11      VAL  35 -13.631  -1.209  21.008
  285   HG12  VAL  35          HG12      VAL  35 -12.272  -2.274  20.710
  286   HG13  VAL  35          HG13      VAL  35 -12.234  -1.142  22.060
  287   HG21  VAL  35          HG21      VAL  35 -12.195  -2.560  24.070
  288   HG22  VAL  35          HG22      VAL  35 -11.561  -3.669  22.853
  289   HG23  VAL  35          HG23      VAL  35 -12.849  -4.193  23.941
  290    H    HIS  36           HN       HIS  36 -15.489  -0.310  21.736
  291    HA   HIS  36           HA       HIS  36 -13.811   1.713  22.921
  292    HB2  HIS  36           HB2      HIS  36 -15.999   1.831  20.834
  293    HB3  HIS  36           HB1      HIS  36 -15.065   3.234  21.352
  294    HD2  HIS  36           HD2      HIS  36 -12.222   3.037  20.717
  295    HE1  HIS  36           HE1      HIS  36 -12.760  -0.038  17.875
  296    HE2  HIS  36           HE2      HIS  36 -11.117   1.671  18.786
  297    H    GLN  37           HN       GLN  37 -17.246   0.859  22.960
  298    HA   GLN  37           HA       GLN  37 -17.915   3.095  24.699
  299    HB2  GLN  37           HB2      GLN  37 -19.535   0.756  23.665
  300    HB3  GLN  37           HB1      GLN  37 -20.187   2.045  24.678
  301    HG2  GLN  37           HG2      GLN  37 -19.581   3.716  22.999
  302    HG3  GLN  37           HG1      GLN  37 -18.839   2.471  21.997
  303   HE21  GLN  37          HE21      GLN  37 -21.240   4.254  21.435
  304   HE22  GLN  37          HE22      GLN  37 -22.492   3.175  21.049
  305    H    ALA  38           HN       ALA  38 -16.951  -0.205  25.001
  306    HA   ALA  38           HA       ALA  38 -18.046  -0.625  27.629
  307    HB1  ALA  38           HB1      ALA  38 -17.706  -2.578  26.306
  308    HB2  ALA  38           HB2      ALA  38 -16.494  -2.636  27.586
  309    HB3  ALA  38           HB3      ALA  38 -16.037  -2.134  25.962
  310    H    LYS  39           HN       LYS  39 -16.714  -1.021  29.536
  311    HA   LYS  39           HA       LYS  39 -14.032   0.000  29.607
  312    HB2  LYS  39           HB2      LYS  39 -15.469   2.076  29.627
  313    HB3  LYS  39           HB1      LYS  39 -16.137   1.517  31.153
  314    HG2  LYS  39           HG2      LYS  39 -14.380   2.934  31.840
  315    HG3  LYS  39           HG1      LYS  39 -13.658   1.334  31.943
  316    HD2  LYS  39           HD2      LYS  39 -12.490   1.621  29.869
  317    HD3  LYS  39           HD1      LYS  39 -13.414   3.067  29.470
  318    HE2  LYS  39           HE2      LYS  39 -11.584   2.834  31.864
  319    HE3  LYS  39           HE1      LYS  39 -11.109   3.535  30.317
  320    HZ1  LYS  39           HZ1      LYS  39 -12.992   4.551  32.319
  321    HZ2  LYS  39           HZ2      LYS  39 -13.279   4.914  30.684
  322    HZ3  LYS  39           HZ3      LYS  39 -11.821   5.383  31.419
  323    H    GLY  40           HN       GLY  40 -12.916  -0.753  31.354
  324    HA2  GLY  40           HA2      GLY  40 -12.501  -1.839  33.350
  325    HA3  GLY  40           HA1      GLY  40 -14.192  -1.596  33.780
  326    H    ARG  41           HN       ARG  41 -15.147  -3.477  34.184
  327    HA   ARG  41           HA       ARG  41 -14.176  -5.989  33.343
  328    HB2  ARG  41           HB2      ARG  41 -16.847  -5.129  34.461
  329    HB3  ARG  41           HB1      ARG  41 -16.444  -6.810  34.128
  330    HG2  ARG  41           HG2      ARG  41 -15.944  -6.371  36.461
  331    HG3  ARG  41           HG1      ARG  41 -14.418  -6.559  35.598
  332    HD2  ARG  41           HD2      ARG  41 -13.942  -4.267  35.675
  333    HD3  ARG  41           HD1      ARG  41 -15.628  -3.812  35.916
  334    HE   ARG  41           HE       ARG  41 -15.042  -5.215  38.166
  335   HH11  ARG  41          HH21      ARG  41 -13.511  -2.629  36.450
  336   HH12  ARG  41          HH22      ARG  41 -12.820  -1.913  37.869
  337   HH21  ARG  41          HH11      ARG  41 -14.141  -4.281  40.030
  338   HH22  ARG  41          HH12      ARG  41 -13.176  -2.849  39.895
  339    H    ASP  42           HN       ASP  42 -16.634  -3.835  32.038
  340    HA   ASP  42           HA       ASP  42 -17.783  -5.621  30.188
  341    HB2  ASP  42           HB2      ASP  42 -18.658  -3.340  30.885
  342    HB3  ASP  42           HB1      ASP  42 -17.468  -2.644  29.786
  343    H    GLN  43           HN       GLN  43 -14.972  -3.493  29.980
  344    HA   GLN  43           HA       GLN  43 -14.495  -3.835  27.204
  345    HB2  GLN  43           HB2      GLN  43 -13.503  -2.026  28.612
  346    HB3  GLN  43           HB1      GLN  43 -12.468  -3.233  29.372
  347    HG2  GLN  43           HG2      GLN  43 -11.524  -3.806  27.158
  348    HG3  GLN  43           HG1      GLN  43 -12.552  -2.583  26.411
  349   HE21  GLN  43          HE21      GLN  43  -9.669  -2.476  26.280
  350   HE22  GLN  43          HE22      GLN  43  -9.162  -1.111  27.152
  351    H    ILE  44           HN       ILE  44 -13.380  -5.570  30.076
  352    HA   ILE  44           HA       ILE  44 -11.511  -7.245  28.780
  353    HB   ILE  44           HB       ILE  44 -13.104  -7.640  31.320
  354   HG12  ILE  44          HG12      ILE  44 -10.182  -6.927  30.907
  355   HG13  ILE  44          HG11      ILE  44 -11.448  -5.718  31.160
  356   HG21  ILE  44          HG21      ILE  44 -12.442  -9.827  30.636
  357   HG22  ILE  44          HG22      ILE  44 -11.207  -9.318  31.785
  358   HG23  ILE  44          HG23      ILE  44 -10.880  -9.255  30.054
  359   HD11  ILE  44          HD11      ILE  44 -12.053  -6.970  33.291
  360   HD12  ILE  44          HD12      ILE  44 -10.488  -6.162  33.315
  361   HD13  ILE  44          HD13      ILE  44 -10.575  -7.904  33.064
  362    H    ALA  45           HN       ALA  45 -14.960  -7.634  29.500
  363    HA   ALA  45           HA       ALA  45 -15.304 -10.282  28.732
  364    HB1  ALA  45           HB1      ALA  45 -17.655  -9.628  28.224
  365    HB2  ALA  45           HB2      ALA  45 -17.188  -7.936  28.382
  366    HB3  ALA  45           HB3      ALA  45 -17.097  -9.009  29.778
  367    H    ALA  46           HN       ALA  46 -15.229  -7.354  26.734
  368    HA   ALA  46           HA       ALA  46 -15.966  -8.550  24.292
  369    HB1  ALA  46           HB1      ALA  46 -14.296  -6.104  24.897
  370    HB2  ALA  46           HB2      ALA  46 -16.013  -6.154  24.501
  371    HB3  ALA  46           HB3      ALA  46 -14.813  -6.563  23.274
  372    H    SER  47           HN       SER  47 -12.848  -8.127  25.893
  373    HA   SER  47           HA       SER  47 -11.217  -8.967  23.773
  374    HB2  SER  47           HB2      SER  47 -10.330  -7.848  25.773
  375    HB3  SER  47           HB1      SER  47 -10.750  -9.252  26.747
  376    HG   SER  47           HG       SER  47  -8.752  -9.764  26.210
  377    H    PHE  48           HN       PHE  48 -12.768 -10.769  26.390
  378    HA   PHE  48           HA       PHE  48 -11.632 -13.285  25.848
  379    HB2  PHE  48           HB2      PHE  48 -12.840 -12.812  27.925
  380    HB3  PHE  48           HB1      PHE  48 -14.344 -12.617  27.024
  381    HD1  PHE  48           HD2      PHE  48 -11.624 -15.066  27.783
  382    HD2  PHE  48           HD1      PHE  48 -15.676 -14.496  26.474
  383    HE1  PHE  48           HE2      PHE  48 -12.005 -17.514  27.892
  384    HE2  PHE  48           HE1      PHE  48 -16.057 -16.943  26.584
  385    HZ   PHE  48           HZ       PHE  48 -14.221 -18.452  27.293
  386    H    GLU  49           HN       GLU  49 -14.652 -11.796  24.694
  387    HA   GLU  49           HA       GLU  49 -15.482 -14.026  23.137
  388    HB2  GLU  49           HB2      GLU  49 -16.940 -12.109  23.909
  389    HB3  GLU  49           HB1      GLU  49 -16.185 -11.127  22.653
  390    HG2  GLU  49           HG2      GLU  49 -16.915 -12.764  20.949
  391    HG3  GLU  49           HG1      GLU  49 -17.686 -13.720  22.204
  392    H    LEU  50           HN       LEU  50 -13.751 -11.027  22.320
  393    HA   LEU  50           HA       LEU  50 -13.509 -11.549  19.546
  394    HB2  LEU  50           HB2      LEU  50 -12.073  -9.795  21.531
  395    HB3  LEU  50           HB1      LEU  50 -11.387  -9.974  19.917
  396    HG   LEU  50           HG       LEU  50 -14.331  -9.348  20.175
  397   HD11  LEU  50          HD11      LEU  50 -13.760  -6.927  20.138
  398   HD12  LEU  50          HD12      LEU  50 -12.069  -7.346  20.419
  399   HD13  LEU  50          HD13      LEU  50 -13.285  -7.710  21.644
  400   HD21  LEU  50          HD21      LEU  50 -12.301  -8.286  18.196
  401   HD22  LEU  50          HD22      LEU  50 -14.038  -8.478  17.988
  402   HD23  LEU  50          HD23      LEU  50 -12.996  -9.893  18.001
  403    H    ASN  51           HN       ASN  51 -11.447 -12.363  22.309
  404    HA   ASN  51           HA       ASN  51  -9.234 -13.342  20.911
  405    HB2  ASN  51           HB2      ASN  51  -9.201 -13.008  23.329
  406    HB3  ASN  51           HB1      ASN  51 -10.404 -14.279  23.542
  407   HD21  ASN  51          HD21      ASN  51  -8.781 -15.470  24.873
  408   HD22  ASN  51          HD22      ASN  51  -7.529 -16.321  24.106
  409    H    LYS  52           HN       LYS  52 -12.216 -14.987  21.921
  410    HA   LYS  52           HA       LYS  52 -11.505 -17.557  20.971
  411    HB2  LYS  52           HB2      LYS  52 -14.221 -16.268  21.372
  412    HB3  LYS  52           HB1      LYS  52 -13.974 -17.980  21.037
  413    HG2  LYS  52           HG2      LYS  52 -12.652 -16.546  23.350
  414    HG3  LYS  52           HG1      LYS  52 -14.209 -17.352  23.502
  415    HD2  LYS  52           HD2      LYS  52 -13.128 -19.336  23.838
  416    HD3  LYS  52           HD1      LYS  52 -12.467 -19.251  22.215
  417    HE2  LYS  52           HE2      LYS  52 -10.631 -17.780  23.118
  418    HE3  LYS  52           HE1      LYS  52 -11.241 -18.124  24.737
  419    HZ1  LYS  52           HZ1      LYS  52 -10.840 -20.422  24.439
  420    HZ2  LYS  52           HZ2      LYS  52  -9.424 -19.612  23.965
  421    HZ3  LYS  52           HZ3      LYS  52 -10.489 -20.226  22.792
  422    H    LYS  53           HN       LYS  53 -13.266 -14.864  19.494
  423    HA   LYS  53           HA       LYS  53 -13.895 -16.178  17.065
  424    HB2  LYS  53           HB2      LYS  53 -13.552 -13.256  17.737
  425    HB3  LYS  53           HB1      LYS  53 -14.132 -13.829  16.173
  426    HG2  LYS  53           HG2      LYS  53 -15.936 -15.104  17.428
  427    HG3  LYS  53           HG1      LYS  53 -15.428 -14.247  18.877
  428    HD2  LYS  53           HD2      LYS  53 -16.238 -12.840  16.331
  429    HD3  LYS  53           HD1      LYS  53 -17.359 -13.179  17.640
  430    HE2  LYS  53           HE2      LYS  53 -15.719 -11.959  19.158
  431    HE3  LYS  53           HE1      LYS  53 -14.926 -11.404  17.689
  432    HZ1  LYS  53           HZ1      LYS  53 -17.328 -10.494  18.895
  433    HZ2  LYS  53           HZ2      LYS  53 -17.593 -10.958  17.282
  434    HZ3  LYS  53           HZ3      LYS  53 -16.413  -9.792  17.653
  435    H    ILE  54           HN       ILE  54 -11.209 -14.012  17.948
  436    HA   ILE  54           HA       ILE  54  -9.933 -14.130  15.410
  437    HB   ILE  54           HB       ILE  54  -8.879 -13.442  18.164
  438   HG12  ILE  54          HG12      ILE  54  -9.519 -11.663  15.793
  439   HG13  ILE  54          HG11      ILE  54 -10.664 -11.984  17.095
  440   HG21  ILE  54          HG21      ILE  54  -6.960 -14.078  16.906
  441   HG22  ILE  54          HG22      ILE  54  -7.040 -12.319  16.753
  442   HG23  ILE  54          HG23      ILE  54  -7.590 -13.347  15.429
  443   HD11  ILE  54          HD11      ILE  54  -9.441  -9.887  17.523
  444   HD12  ILE  54          HD12      ILE  54  -7.909 -10.756  17.426
  445   HD13  ILE  54          HD13      ILE  54  -9.036 -11.102  18.738
  446    H    ASN  55           HN       ASN  55  -9.442 -15.899  18.453
  447    HA   ASN  55           HA       ASN  55  -7.246 -17.442  17.556
  448    HB2  ASN  55           HB2      ASN  55  -7.808 -17.175  19.939
  449    HB3  ASN  55           HB1      ASN  55  -9.295 -18.089  19.690
  450   HD21  ASN  55          HD21      ASN  55  -7.164 -18.934  21.487
  451   HD22  ASN  55          HD22      ASN  55  -6.535 -20.387  20.874
  452    H    ASP  56           HN       ASP  56 -10.739 -18.055  17.621
  453    HA   ASP  56           HA       ASP  56 -10.625 -20.698  16.615
  454    HB2  ASP  56           HB2      ASP  56 -12.621 -19.869  17.723
  455    HB3  ASP  56           HB1      ASP  56 -12.838 -18.639  16.481
  456    H    TYR  57           HN       TYR  57 -10.876 -17.544  15.054
  457    HA   TYR  57           HA       TYR  57 -11.442 -18.354  12.447
  458    HB2  TYR  57           HB2      TYR  57 -11.424 -15.992  13.231
  459    HB3  TYR  57           HB1      TYR  57  -9.662 -16.053  13.289
  460    HD1  TYR  57           HD2      TYR  57 -12.550 -16.627  10.975
  461    HD2  TYR  57           HD1      TYR  57  -8.404 -15.568  11.355
  462    HE1  TYR  57           HE2      TYR  57 -12.460 -16.112   8.551
  463    HE2  TYR  57           HE1      TYR  57  -8.314 -15.053   8.933
  464    HH   TYR  57           HH       TYR  57 -10.826 -15.939   6.771
  465    H    ILE  58           HN       ILE  58  -8.343 -18.125  14.145
  466    HA   ILE  58           HA       ILE  58  -6.674 -18.671  11.934
  467    HB   ILE  58           HB       ILE  58  -6.297 -19.179  14.897
  468   HG12  ILE  58          HG12      ILE  58  -5.080 -17.064  13.097
  469   HG13  ILE  58          HG11      ILE  58  -6.567 -16.801  14.021
  470   HG21  ILE  58          HG21      ILE  58  -3.827 -19.224  14.191
  471   HG22  ILE  58          HG22      ILE  58  -4.414 -19.476  12.546
  472   HG23  ILE  58          HG23      ILE  58  -4.776 -20.659  13.802
  473   HD11  ILE  58          HD11      ILE  58  -4.015 -17.758  15.332
  474   HD12  ILE  58          HD12      ILE  58  -5.442 -17.063  16.100
  475   HD13  ILE  58          HD13      ILE  58  -4.377 -16.044  15.131
  476    H    ALA  59           HN       ALA  59  -8.181 -20.806  14.341
  477    HA   ALA  59           HA       ALA  59  -7.035 -23.214  13.402
  478    HB1  ALA  59           HB1      ALA  59  -8.714 -24.333  14.733
  479    HB2  ALA  59           HB2      ALA  59  -9.702 -22.873  14.789
  480    HB3  ALA  59           HB3      ALA  59  -8.149 -22.919  15.623
  481    H    GLU  60           HN       GLU  60  -9.947 -21.440  12.517
  482    HA   GLU  60           HA       GLU  60 -11.010 -23.490  10.827
  483    HB2  GLU  60           HB2      GLU  60 -11.576 -20.523  11.017
  484    HB3  GLU  60           HB1      GLU  60 -12.482 -21.636   9.991
  485    HG2  GLU  60           HG2      GLU  60 -12.155 -21.978  12.983
  486    HG3  GLU  60           HG1      GLU  60 -13.558 -21.228  12.224
  487    H    HIS  61           HN       HIS  61  -9.078 -20.576  10.283
  488    HA   HIS  61           HA       HIS  61  -8.368 -21.620   7.602
  489    HB2  HIS  61           HB2      HIS  61  -8.831 -18.693   8.098
  490    HB3  HIS  61           HB1      HIS  61  -8.685 -19.548   6.562
  491    HD2  HIS  61           HD2      HIS  61 -10.981 -21.395   6.100
  492    HE1  HIS  61           HE1      HIS  61 -13.543 -19.121   8.569
  493    HE2  HIS  61           HE2      HIS  61 -13.455 -20.953   6.812
  494    HA   PRO  62           HA       PRO  62  -4.709 -20.292  10.194
  495    HB2  PRO  62           HB2      PRO  62  -3.369 -22.691  10.114
  496    HB3  PRO  62           HB1      PRO  62  -4.568 -22.286  11.357
  497    HG2  PRO  62           HG2      PRO  62  -4.870 -23.971   8.915
  498    HG3  PRO  62           HG1      PRO  62  -5.549 -24.204  10.535
  499    HD2  PRO  62           HD2      PRO  62  -6.979 -23.197   8.418
  500    HD3  PRO  62           HD1      PRO  62  -7.358 -22.821  10.111
  501    H    THR  63           HN       THR  63  -5.126 -21.960   7.158
  502    HA   THR  63           HA       THR  63  -2.450 -21.498   6.198
  503    HB   THR  63           HB       THR  63  -3.338 -22.292   4.043
  504    HG1  THR  63           HG1      THR  63  -5.664 -23.041   4.344
  505   HG21  THR  63          HG21      THR  63  -2.693 -23.924   5.789
  506   HG22  THR  63          HG22      THR  63  -4.014 -24.530   4.792
  507   HG23  THR  63          HG23      THR  63  -4.346 -23.902   6.406
  508    H    SER  64           HN       SER  64  -5.429 -19.734   6.275
  509    HA   SER  64           HA       SER  64  -4.935 -17.968   4.102
  510    HB2  SER  64           HB2      SER  64  -7.174 -18.216   5.027
  511    HB3  SER  64           HB1      SER  64  -6.624 -17.616   6.590
  512    HG   SER  64           HG       SER  64  -6.774 -15.659   5.847
  513    H    GLY  65           HN       GLY  65  -3.947 -15.992   4.018
  514    HA2  GLY  65           HA2      GLY  65  -2.020 -15.413   6.130
  515    HA3  GLY  65           HA1      GLY  65  -2.130 -14.620   4.562
  516    H    ARG  66           HN       ARG  66  -5.151 -14.380   5.176
  517    HA   ARG  66           HA       ARG  66  -5.086 -11.695   6.093
  518    HB2  ARG  66           HB2      ARG  66  -7.447 -13.587   6.001
  519    HB3  ARG  66           HB1      ARG  66  -7.515 -11.831   6.051
  520    HG2  ARG  66           HG2      ARG  66  -6.152 -13.393   3.841
  521    HG3  ARG  66           HG1      ARG  66  -7.813 -12.811   3.738
  522    HD2  ARG  66           HD2      ARG  66  -5.277 -11.174   3.925
  523    HD3  ARG  66           HD1      ARG  66  -6.492 -11.151   2.663
  524    HE   ARG  66           HE       ARG  66  -6.642  -9.787   5.222
  525   HH11  ARG  66          HH21      ARG  66  -8.326 -11.066   2.486
  526   HH12  ARG  66          HH22      ARG  66  -9.704 -10.034   2.678
  527   HH21  ARG  66          HH11      ARG  66  -8.446  -8.437   5.487
  528   HH22  ARG  66          HH12      ARG  66  -9.773  -8.545   4.378
  529    H    ASN  67           HN       ASN  67  -5.272 -14.728   7.720
  530    HA   ASN  67           HA       ASN  67  -6.504 -13.896  10.125
  531    HB2  ASN  67           HB2      ASN  67  -5.511 -15.908  11.103
  532    HB3  ASN  67           HB1      ASN  67  -6.180 -16.266   9.513
  533   HD21  ASN  67          HD21      ASN  67  -4.521 -18.146   9.734
  534   HD22  ASN  67          HD22      ASN  67  -2.941 -17.835   9.199
  535    H    GLN  68           HN       GLN  68  -3.438 -13.206   8.791
  536    HA   GLN  68           HA       GLN  68  -1.890 -12.898  11.134
  537    HB2  GLN  68           HB2      GLN  68  -1.718 -11.550   8.431
  538    HB3  GLN  68           HB1      GLN  68  -0.508 -11.359   9.699
  539    HG2  GLN  68           HG2      GLN  68  -0.124 -13.786   9.721
  540    HG3  GLN  68           HG1      GLN  68  -1.355 -14.001   8.478
  541   HE21  GLN  68          HE21      GLN  68  -0.811 -13.419   6.283
  542   HE22  GLN  68          HE22      GLN  68   0.771 -13.006   5.827
  543    H    ALA  69           HN       ALA  69  -4.047 -10.694   9.399
  544    HA   ALA  69           HA       ALA  69  -3.437  -8.413  11.017
  545    HB1  ALA  69           HB1      ALA  69  -4.425  -8.371   8.684
  546    HB2  ALA  69           HB2      ALA  69  -5.223  -7.328   9.861
  547    HB3  ALA  69           HB3      ALA  69  -5.954  -8.869   9.410
  548    H    LEU  70           HN       LEU  70  -5.935 -10.908  11.078
  549    HA   LEU  70           HA       LEU  70  -7.513  -9.759  13.124
  550    HB2  LEU  70           HB2      LEU  70  -7.180 -12.550  12.032
  551    HB3  LEU  70           HB1      LEU  70  -8.201 -12.269  13.438
  552    HG   LEU  70           HG       LEU  70  -9.436 -12.201  11.234
  553   HD11  LEU  70          HD11      LEU  70  -9.653  -9.426  12.352
  554   HD12  LEU  70          HD12      LEU  70  -9.913 -10.754  13.478
  555   HD13  LEU  70          HD13      LEU  70 -10.905 -10.616  12.036
  556   HD21  LEU  70          HD21      LEU  70  -9.074 -10.397   9.705
  557   HD22  LEU  70          HD22      LEU  70  -7.471 -11.025  10.074
  558   HD23  LEU  70          HD23      LEU  70  -8.032  -9.545  10.845
  559    H    THR  71           HN       THR  71  -4.786 -11.979  13.202
  560    HA   THR  71           HA       THR  71  -4.876 -12.555  15.961
  561    HB   THR  71           HB       THR  71  -2.407 -12.438  14.222
  562    HG1  THR  71           HG1      THR  71  -4.395 -13.715  13.549
  563   HG21  THR  71          HG21      THR  71  -1.636 -14.215  15.761
  564   HG22  THR  71          HG22      THR  71  -3.134 -14.061  16.679
  565   HG23  THR  71          HG23      THR  71  -1.988 -12.721  16.627
  566    H    GLN  72           HN       GLN  72  -3.793  -9.784  14.196
  567    HA   GLN  72           HA       GLN  72  -2.016  -8.702  16.122
  568    HB2  GLN  72           HB2      GLN  72  -2.161  -7.968  13.737
  569    HB3  GLN  72           HB1      GLN  72  -3.697  -7.189  14.115
  570    HG2  GLN  72           HG2      GLN  72  -2.570  -5.820  15.840
  571    HG3  GLN  72           HG1      GLN  72  -1.034  -6.573  15.419
  572   HE21  GLN  72          HE21      GLN  72   0.082  -4.867  14.393
  573   HE22  GLN  72          HE22      GLN  72  -0.524  -4.006  13.061
  574    H    LEU  73           HN       LEU  73  -5.502  -8.485  15.668
  575    HA   LEU  73           HA       LEU  73  -6.008  -6.395  17.490
  576    HB2  LEU  73           HB2      LEU  73  -7.651  -8.662  16.381
  577    HB3  LEU  73           HB1      LEU  73  -8.323  -7.626  17.641
  578    HG   LEU  73           HG       LEU  73  -7.836  -5.637  16.237
  579   HD11  LEU  73          HD11      LEU  73  -6.867  -7.768  14.327
  580   HD12  LEU  73          HD12      LEU  73  -5.983  -6.362  14.919
  581   HD13  LEU  73          HD13      LEU  73  -7.317  -6.152  13.788
  582   HD21  LEU  73          HD21      LEU  73  -9.506  -6.236  14.393
  583   HD22  LEU  73          HD22      LEU  73 -10.051  -6.491  16.051
  584   HD23  LEU  73          HD23      LEU  73  -9.519  -7.862  15.074
  585    H    LYS  74           HN       LYS  74  -5.751  -9.892  17.937
  586    HA   LYS  74           HA       LYS  74  -6.610 -10.039  20.599
  587    HB2  LYS  74           HB2      LYS  74  -6.193 -12.001  19.126
  588    HB3  LYS  74           HB1      LYS  74  -4.461 -11.703  19.276
  589    HG2  LYS  74           HG2      LYS  74  -4.525 -12.081  21.658
  590    HG3  LYS  74           HG1      LYS  74  -6.286 -12.146  21.654
  591    HD2  LYS  74           HD2      LYS  74  -5.508 -14.423  21.723
  592    HD3  LYS  74           HD1      LYS  74  -6.114 -14.136  20.094
  593    HE2  LYS  74           HE2      LYS  74  -3.932 -13.961  19.188
  594    HE3  LYS  74           HE1      LYS  74  -3.195 -13.753  20.775
  595    HZ1  LYS  74           HZ1      LYS  74  -3.804 -16.010  21.325
  596    HZ2  LYS  74           HZ2      LYS  74  -2.862 -15.981  19.913
  597    HZ3  LYS  74           HZ3      LYS  74  -4.543 -16.213  19.812
  598    H    GLU  75           HN       GLU  75  -3.378  -9.444  19.251
  599    HA   GLU  75           HA       GLU  75  -2.042  -9.317  21.760
  600    HB2  GLU  75           HB2      GLU  75  -1.326  -8.180  19.046
  601    HB3  GLU  75           HB1      GLU  75  -0.245  -8.170  20.440
  602    HG2  GLU  75           HG2      GLU  75  -0.339 -10.616  20.566
  603    HG3  GLU  75           HG1      GLU  75  -1.478 -10.656  19.221
  604    H    GLN  76           HN       GLN  76  -3.536  -6.873  19.671
  605    HA   GLN  76           HA       GLN  76  -2.684  -4.609  21.132
  606    HB2  GLN  76           HB2      GLN  76  -5.062  -5.077  19.323
  607    HB3  GLN  76           HB1      GLN  76  -4.672  -3.500  20.007
  608    HG2  GLN  76           HG2      GLN  76  -2.755  -5.154  18.340
  609    HG3  GLN  76           HG1      GLN  76  -3.743  -3.842  17.702
  610   HE21  GLN  76          HE21      GLN  76  -0.657  -4.414  18.656
  611   HE22  GLN  76          HE22      GLN  76  -0.247  -2.889  19.280
  612    H    VAL  77           HN       VAL  77  -5.825  -6.308  21.175
  613    HA   VAL  77           HA       VAL  77  -6.940  -4.835  23.293
  614    HB   VAL  77           HB       VAL  77  -7.471  -7.679  22.402
  615   HG11  VAL  77          HG11      VAL  77  -8.352  -7.497  24.598
  616   HG12  VAL  77          HG12      VAL  77  -9.723  -7.175  23.536
  617   HG13  VAL  77          HG13      VAL  77  -8.892  -5.840  24.336
  618   HG21  VAL  77          HG21      VAL  77  -8.814  -5.029  21.781
  619   HG22  VAL  77          HG22      VAL  77  -9.417  -6.606  21.272
  620   HG23  VAL  77          HG23      VAL  77  -7.876  -6.011  20.655
  621    H    THR  78           HN       THR  78  -5.146  -7.907  23.288
  622    HA   THR  78           HA       THR  78  -5.309  -8.420  26.051
  623    HB   THR  78           HB       THR  78  -3.164  -9.192  24.059
  624    HG1  THR  78           HG1      THR  78  -4.423 -10.857  23.651
  625   HG21  THR  78          HG21      THR  78  -3.745 -10.095  26.886
  626   HG22  THR  78          HG22      THR  78  -2.235  -9.443  26.248
  627   HG23  THR  78          HG23      THR  78  -2.779 -11.046  25.756
  628    H    SER  79           HN       SER  79  -2.889  -6.670  24.132
  629    HA   SER  79           HA       SER  79  -1.107  -6.118  26.253
  630    HB2  SER  79           HB2      SER  79  -0.494  -5.873  23.877
  631    HB3  SER  79           HB1      SER  79  -1.611  -4.520  23.731
  632    HG   SER  79           HG       SER  79   0.908  -4.575  24.691
  633    H    ALA  80           HN       ALA  80  -3.889  -4.341  24.960
  634    HA   ALA  80           HA       ALA  80  -3.624  -1.964  26.382
  635    HB1  ALA  80           HB1      ALA  80  -5.300  -2.309  24.614
  636    HB2  ALA  80           HB2      ALA  80  -6.050  -1.713  26.095
  637    HB3  ALA  80           HB3      ALA  80  -6.177  -3.419  25.668
  638    H    LEU  81           HN       LEU  81  -5.378  -4.916  27.328
  639    HA   LEU  81           HA       LEU  81  -6.113  -3.962  29.908
  640    HB2  LEU  81           HB2      LEU  81  -5.775  -6.835  29.017
  641    HB3  LEU  81           HB1      LEU  81  -6.745  -6.252  30.368
  642    HG   LEU  81           HG       LEU  81  -7.201  -5.489  27.469
  643   HD11  LEU  81          HD11      LEU  81  -7.754  -7.833  27.768
  644   HD12  LEU  81          HD12      LEU  81  -9.263  -6.920  27.745
  645   HD13  LEU  81          HD13      LEU  81  -8.598  -7.486  29.277
  646   HD21  LEU  81          HD21      LEU  81  -8.099  -3.736  28.744
  647   HD22  LEU  81          HD22      LEU  81  -8.544  -4.793  30.084
  648   HD23  LEU  81          HD23      LEU  81  -9.482  -4.814  28.592
  649    H    GLY  82           HN       GLY  82  -3.275  -5.557  28.629
  650    HA2  GLY  82           HA2      GLY  82  -1.146  -5.623  29.579
  651    HA3  GLY  82           HA1      GLY  82  -1.814  -4.978  31.075
  652    H    LEU  83           HN       LEU  83  -3.570  -7.603  29.810
  653    HA   LEU  83           HA       LEU  83  -3.062  -9.252  32.054
  654    HB2  LEU  83           HB2      LEU  83  -4.331  -9.842  29.371
  655    HB3  LEU  83           HB1      LEU  83  -4.297 -10.988  30.707
  656    HG   LEU  83           HG       LEU  83  -5.427  -8.186  30.952
  657   HD11  LEU  83          HD11      LEU  83  -6.908 -10.790  30.478
  658   HD12  LEU  83          HD12      LEU  83  -6.702  -9.510  29.282
  659   HD13  LEU  83          HD13      LEU  83  -7.647  -9.211  30.742
  660   HD21  LEU  83          HD21      LEU  83  -5.287 -10.620  32.735
  661   HD22  LEU  83          HD22      LEU  83  -6.656  -9.527  32.884
  662   HD23  LEU  83          HD23      LEU  83  -5.029  -8.925  33.135
  663    H    GLU  84           HN       GLU  84  -1.845  -9.287  28.738
  664    HA   GLU  84           HA       GLU  84  -0.105 -10.429  27.763
  665    HB2  GLU  84           HB2      GLU  84   0.887 -10.345  30.623
  666    HB3  GLU  84           HB1      GLU  84   1.870 -10.828  29.241
  667    HG2  GLU  84           HG2      GLU  84   0.455  -8.160  29.449
  668    HG3  GLU  84           HG1      GLU  84   2.143  -8.410  29.888
  669    H    HIS  85           HN       HIS  85   0.219 -12.071  30.865
  670    HA   HIS  85           HA       HIS  85   0.057 -14.649  29.576
  671    HB2  HIS  85           HB2      HIS  85   0.332 -15.492  31.943
  672    HB3  HIS  85           HB1      HIS  85   1.626 -14.437  31.374
  673    HD2  HIS  85           HD2      HIS  85   1.725 -11.882  32.630
  674    HE1  HIS  85           HE1      HIS  85  -1.334 -12.663  35.433
  675    HE2  HIS  85           HE2      HIS  85   0.500 -11.034  34.775
  676    H    HIS  86           HN       HIS  86  -1.501 -16.251  29.939
  677    HA   HIS  86           HA       HIS  86  -3.900 -15.611  31.472
  678    HB2  HIS  86           HB2      HIS  86  -4.305 -14.556  29.261
  679    HB3  HIS  86           HB1      HIS  86  -4.055 -16.123  28.491
  680    HD2  HIS  86           HD2      HIS  86  -6.474 -17.375  28.109
  681    HE1  HIS  86           HE1      HIS  86  -8.536 -15.766  31.423
  682    HE2  HIS  86           HE2      HIS  86  -8.735 -17.307  29.414
  683    H    HIS  87           HN       HIS  87  -5.439 -17.456  31.465
  684    HA   HIS  87           HA       HIS  87  -3.981 -19.929  31.786
  685    HB2  HIS  87           HB2      HIS  87  -6.914 -19.250  32.112
  686    HB3  HIS  87           HB1      HIS  87  -6.204 -20.817  32.496
  687    HD2  HIS  87           HD2      HIS  87  -5.033 -20.945  35.014
  688    HE1  HIS  87           HE1      HIS  87  -5.061 -16.807  35.857
  689    HE2  HIS  87           HE2      HIS  87  -4.557 -19.108  36.809
  690    H    HIS  88           HN       HIS  88  -4.619 -21.948  30.788
  691    HA   HIS  88           HA       HIS  88  -4.907 -21.711  27.951
  692    HB2  HIS  88           HB2      HIS  88  -3.581 -23.505  29.027
  693    HB3  HIS  88           HB1      HIS  88  -5.067 -24.180  29.696
  694    HD2  HIS  88           HD2      HIS  88  -3.125 -24.130  26.328
  695    HE1  HIS  88           HE1      HIS  88  -6.753 -26.181  25.655
  696    HE2  HIS  88           HE2      HIS  88  -4.495 -25.592  24.653
  697    H    HIS  89           HN       HIS  89  -6.699 -21.734  26.747
  698    HA   HIS  89           HA       HIS  89  -9.284 -21.749  27.981
  699    HB2  HIS  89           HB2      HIS  89 -10.112 -21.557  25.640
  700    HB3  HIS  89           HB1      HIS  89  -8.879 -20.358  26.029
  701    HD2  HIS  89           HD2      HIS  89  -9.313 -23.516  23.743
  702    HE1  HIS  89           HE1      HIS  89  -5.503 -21.867  22.976
  703    HE2  HIS  89           HE2      HIS  89  -7.194 -23.602  22.219
  704    H    HIS  90           HN       HIS  90 -10.802 -23.330  28.062
  705    HA   HIS  90           HA       HIS  90 -10.167 -25.995  28.137
  706    HB2  HIS  90           HB2      HIS  90 -12.797 -24.680  27.434
  707    HB3  HIS  90           HB1      HIS  90 -12.628 -26.411  27.726
  708    HD2  HIS  90           HD2      HIS  90 -12.471 -27.128  30.426
  709    HE1  HIS  90           HE1      HIS  90 -12.316 -23.214  32.003
  710    HE2  HIS  90           HE2      HIS  90 -12.505 -25.676  32.597
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1 -10.090   4.107  20.936
    2    H2   MET   1           HT2      MET   1  -9.083   3.334  19.806
    3    H3   MET   1           HT3      MET   1 -10.744   3.509  19.491
    4    HA   MET   1           HA       MET   1  -9.849   5.181  18.207
    5    HB2  MET   1           HB2      MET   1 -10.403   6.365  20.946
    6    HB3  MET   1           HB1      MET   1 -10.336   7.292  19.446
    7    HG2  MET   1           HG2      MET   1 -12.239   4.988  19.969
    8    HG3  MET   1           HG1      MET   1 -12.672   6.691  20.095
    9    HE1  MET   1           HE1      MET   1 -12.717   8.142  16.753
   10    HE2  MET   1           HE2      MET   1 -11.058   7.986  17.326
   11    HE3  MET   1           HE3      MET   1 -12.350   8.330  18.473
   12    H    GLY   2           HN       GLY   2  -7.587   3.895  18.723
   13    HA2  GLY   2           HA2      GLY   2  -5.562   5.756  18.530
   14    HA3  GLY   2           HA1      GLY   2  -5.666   5.367  20.244
   15    H    GLN   3           HN       GLN   3  -4.751   3.525  20.979
   16    HA   GLN   3           HA       GLN   3  -2.933   2.099  19.358
   17    HB2  GLN   3           HB2      GLN   3  -4.112   1.464  22.071
   18    HB3  GLN   3           HB1      GLN   3  -2.819   0.527  21.320
   19    HG2  GLN   3           HG2      GLN   3  -1.411   2.539  21.199
   20    HG3  GLN   3           HG1      GLN   3  -2.706   3.498  21.915
   21   HE21  GLN   3          HE21      GLN   3  -0.632   3.749  23.483
   22   HE22  GLN   3          HE22      GLN   3  -0.623   2.677  24.800
   23    H    ILE   4           HN       ILE   4  -6.275   1.503  20.273
   24    HA   ILE   4           HA       ILE   4  -6.284  -1.164  19.106
   25    HB   ILE   4           HB       ILE   4  -8.470   0.506  20.277
   26   HG12  ILE   4          HG12      ILE   4  -7.138  -1.973  21.380
   27   HG13  ILE   4          HG11      ILE   4  -6.614  -0.342  21.799
   28   HG21  ILE   4          HG21      ILE   4  -8.416  -2.321  19.213
   29   HG22  ILE   4          HG22      ILE   4  -9.489  -1.009  18.726
   30   HG23  ILE   4          HG23      ILE   4  -9.664  -1.747  20.318
   31   HD11  ILE   4          HD11      ILE   4  -9.414  -1.438  22.210
   32   HD12  ILE   4          HD12      ILE   4  -8.859   0.174  22.661
   33   HD13  ILE   4          HD13      ILE   4  -8.201  -1.244  23.475
   34    H    PHE   5           HN       PHE   5  -6.892  -1.663  17.080
   35    HA   PHE   5           HA       PHE   5  -7.280   0.389  15.148
   36    HB2  PHE   5           HB2      PHE   5  -7.568  -2.616  15.068
   37    HB3  PHE   5           HB1      PHE   5  -7.894  -1.609  13.659
   38    HD1  PHE   5           HD2      PHE   5  -6.085  -0.187  12.694
   39    HD2  PHE   5           HD1      PHE   5  -5.325  -3.023  15.827
   40    HE1  PHE   5           HE2      PHE   5  -3.655  -0.072  12.210
   41    HE2  PHE   5           HE1      PHE   5  -2.897  -2.909  15.344
   42    HZ   PHE   5           HZ       PHE   5  -2.061  -1.434  13.535
   43    H    THR   6           HN       THR   6  -9.093   1.240  14.292
   44    HA   THR   6           HA       THR   6 -11.599   0.773  15.653
   45    HB   THR   6           HB       THR   6 -12.406   2.490  13.906
   46    HG1  THR   6           HG1      THR   6  -9.641   2.896  13.562
   47   HG21  THR   6          HG21      THR   6 -11.018   4.327  15.059
   48   HG22  THR   6          HG22      THR   6 -10.257   3.013  15.957
   49   HG23  THR   6          HG23      THR   6 -11.996   3.281  16.089
   50    H    VAL   7           HN       VAL   7 -13.610   0.412  14.425
   51    HA   VAL   7           HA       VAL   7 -13.507  -1.999  12.977
   52    HB   VAL   7           HB       VAL   7 -15.508  -1.385  14.190
   53   HG11  VAL   7          HG11      VAL   7 -16.822   0.547  13.704
   54   HG12  VAL   7          HG12      VAL   7 -15.957   0.851  12.199
   55   HG13  VAL   7          HG13      VAL   7 -15.155   1.128  13.747
   56   HG21  VAL   7          HG21      VAL   7 -17.131  -1.999  12.561
   57   HG22  VAL   7          HG22      VAL   7 -15.623  -2.673  11.939
   58   HG23  VAL   7          HG23      VAL   7 -16.263  -1.175  11.266
   59    H    GLN   8           HN       GLN   8 -14.013   1.348  11.887
   60    HA   GLN   8           HA       GLN   8 -14.512   0.962   9.213
   61    HB2  GLN   8           HB2      GLN   8 -12.962   3.163   9.024
   62    HB3  GLN   8           HB1      GLN   8 -14.567   3.215   9.758
   63    HG2  GLN   8           HG2      GLN   8 -13.696   3.123  11.954
   64    HG3  GLN   8           HG1      GLN   8 -12.107   2.611  11.394
   65   HE21  GLN   8          HE21      GLN   8 -11.235   4.541  12.600
   66   HE22  GLN   8          HE22      GLN   8 -11.332   6.074  11.879
   67    H    GLU   9           HN       GLU   9 -11.307   1.148  10.761
   68    HA   GLU   9           HA       GLU   9  -9.862   0.640   8.361
   69    HB2  GLU   9           HB2      GLU   9  -9.093   0.397  11.276
   70    HB3  GLU   9           HB1      GLU   9  -7.962   0.171   9.942
   71    HG2  GLU   9           HG2      GLU   9  -8.414   2.443   9.140
   72    HG3  GLU   9           HG1      GLU   9  -9.602   2.676  10.421
   73    H    LEU  10           HN       LEU  10 -11.180  -1.361  10.917
   74    HA   LEU  10           HA       LEU  10  -9.884  -3.769  10.206
   75    HB2  LEU  10           HB2      LEU  10 -11.207  -3.183  12.357
   76    HB3  LEU  10           HB1      LEU  10 -12.629  -3.671  11.433
   77    HG   LEU  10           HG       LEU  10 -11.129  -5.814  10.878
   78   HD11  LEU  10          HD11      LEU  10 -10.013  -4.852  13.535
   79   HD12  LEU  10          HD12      LEU  10  -9.111  -4.972  12.024
   80   HD13  LEU  10          HD13      LEU  10  -9.707  -6.433  12.813
   81   HD21  LEU  10          HD21      LEU  10 -12.049  -6.883  13.001
   82   HD22  LEU  10          HD22      LEU  10 -13.234  -6.039  12.003
   83   HD23  LEU  10          HD23      LEU  10 -12.610  -5.276  13.464
   84    H    LYS  11           HN       LYS  11 -12.842  -2.227   9.113
   85    HA   LYS  11           HA       LYS  11 -13.987  -4.383   7.737
   86    HB2  LYS  11           HB2      LYS  11 -14.103  -1.404   7.263
   87    HB3  LYS  11           HB1      LYS  11 -15.057  -2.561   6.335
   88    HG2  LYS  11           HG2      LYS  11 -16.101  -3.388   8.397
   89    HG3  LYS  11           HG1      LYS  11 -15.114  -2.285   9.353
   90    HD2  LYS  11           HD2      LYS  11 -17.301  -1.286   9.050
   91    HD3  LYS  11           HD1      LYS  11 -16.121  -0.370   8.117
   92    HE2  LYS  11           HE2      LYS  11 -17.561  -2.624   6.746
   93    HE3  LYS  11           HE1      LYS  11 -18.426  -1.110   7.016
   94    HZ1  LYS  11           HZ1      LYS  11 -16.380  -1.691   5.134
   95    HZ2  LYS  11           HZ2      LYS  11 -15.945  -0.372   6.112
   96    HZ3  LYS  11           HZ3      LYS  11 -17.399  -0.338   5.233
   97    H    GLU  12           HN       GLU  12 -11.602  -1.969   6.692
   98    HA   GLU  12           HA       GLU  12 -11.492  -2.720   3.978
   99    HB2  GLU  12           HB2      GLU  12 -10.496  -0.642   4.998
  100    HB3  GLU  12           HB1      GLU  12  -9.202  -1.653   5.641
  101    HG2  GLU  12           HG2      GLU  12  -8.407  -0.741   3.563
  102    HG3  GLU  12           HG1      GLU  12  -8.772  -2.440   3.268
  103    H    ARG  13           HN       ARG  13  -9.377  -3.673   6.699
  104    HA   ARG  13           HA       ARG  13  -7.906  -5.575   5.163
  105    HB2  ARG  13           HB2      ARG  13  -8.214  -5.181   8.144
  106    HB3  ARG  13           HB1      ARG  13  -7.118  -6.359   7.421
  107    HG2  ARG  13           HG2      ARG  13  -5.965  -4.560   6.201
  108    HG3  ARG  13           HG1      ARG  13  -7.071  -3.372   6.893
  109    HD2  ARG  13           HD2      ARG  13  -5.280  -5.179   8.534
  110    HD3  ARG  13           HD1      ARG  13  -4.874  -3.523   8.099
  111    HE   ARG  13           HE       ARG  13  -7.409  -3.501   9.312
  112   HH11  ARG  13          HH21      ARG  13  -4.099  -4.198  10.044
  113   HH12  ARG  13          HH22      ARG  13  -4.230  -3.752  11.714
  114   HH21  ARG  13          HH11      ARG  13  -7.588  -2.916  11.500
  115   HH22  ARG  13          HH12      ARG  13  -6.206  -3.027  12.537
  116    H    ALA  14           HN       ALA  14 -10.692  -5.776   7.309
  117    HA   ALA  14           HA       ALA  14 -10.846  -8.639   7.268
  118    HB1  ALA  14           HB1      ALA  14 -12.939  -8.361   8.433
  119    HB2  ALA  14           HB2      ALA  14 -13.029  -6.663   7.967
  120    HB3  ALA  14           HB3      ALA  14 -11.786  -7.204   9.096
  121    H    LYS  15           HN       LYS  15 -11.548  -6.272   4.996
  122    HA   LYS  15           HA       LYS  15 -13.922  -7.132   3.813
  123    HB2  LYS  15           HB2      LYS  15 -12.699  -5.062   3.198
  124    HB3  LYS  15           HB1      LYS  15 -11.482  -6.059   2.401
  125    HG2  LYS  15           HG2      LYS  15 -13.129  -6.930   0.845
  126    HG3  LYS  15           HG1      LYS  15 -14.433  -6.115   1.707
  127    HD2  LYS  15           HD2      LYS  15 -13.948  -4.721  -0.172
  128    HD3  LYS  15           HD1      LYS  15 -13.210  -3.924   1.215
  129    HE2  LYS  15           HE2      LYS  15 -11.023  -4.665   0.608
  130    HE3  LYS  15           HE1      LYS  15 -11.659  -5.819  -0.565
  131    HZ1  LYS  15           HZ1      LYS  15 -12.491  -3.968  -1.871
  132    HZ2  LYS  15           HZ2      LYS  15 -10.813  -3.844  -1.644
  133    HZ3  LYS  15           HZ3      LYS  15 -11.869  -2.866  -0.741
  134    H    VAL  16           HN       VAL  16 -10.580  -8.175   3.185
  135    HA   VAL  16           HA       VAL  16  -9.755  -9.916   1.908
  136    HB   VAL  16           HB       VAL  16 -10.497 -10.976   4.037
  137   HG11  VAL  16          HG11      VAL  16 -13.055 -11.458   2.479
  138   HG12  VAL  16          HG12      VAL  16 -12.862 -10.737   4.076
  139   HG13  VAL  16          HG13      VAL  16 -12.584 -12.464   3.847
  140   HG21  VAL  16          HG21      VAL  16  -9.479 -12.226   1.914
  141   HG22  VAL  16          HG22      VAL  16 -11.055 -13.021   1.900
  142   HG23  VAL  16          HG23      VAL  16 -10.021 -13.140   3.323
  143    H    PHE  17           HN       PHE  17 -10.604 -11.980   0.544
  144    HA   PHE  17           HA       PHE  17 -11.960 -10.872  -1.713
  145    HB2  PHE  17           HB2      PHE  17 -10.287 -12.614  -2.008
  146    HB3  PHE  17           HB1      PHE  17 -11.227 -13.725  -1.011
  147    HD1  PHE  17           HD2      PHE  17 -11.406 -11.666  -4.120
  148    HD2  PHE  17           HD1      PHE  17 -12.915 -15.072  -1.981
  149    HE1  PHE  17           HE2      PHE  17 -12.702 -12.347  -6.121
  150    HE2  PHE  17           HE1      PHE  17 -14.213 -15.752  -3.983
  151    HZ   PHE  17           HZ       PHE  17 -14.106 -14.390  -6.052
  152    H    ALA  18           HN       ALA  18 -14.076 -10.892  -2.193
  153    HA   ALA  18           HA       ALA  18 -16.322 -11.352  -2.124
  154    HB1  ALA  18           HB1      ALA  18 -15.372 -13.781  -1.998
  155    HB2  ALA  18           HB2      ALA  18 -17.057 -13.496  -1.565
  156    HB3  ALA  18           HB3      ALA  18 -15.843 -13.698  -0.300
  157    H    LYS  19           HN       LYS  19 -18.187 -11.451  -0.567
  158    HA   LYS  19           HA       LYS  19 -17.444  -9.881   1.803
  159    HB2  LYS  19           HB2      LYS  19 -19.184  -9.087   0.135
  160    HB3  LYS  19           HB1      LYS  19 -20.235 -10.350   0.783
  161    HG2  LYS  19           HG2      LYS  19 -20.815  -8.571   2.193
  162    HG3  LYS  19           HG1      LYS  19 -19.513  -9.295   3.135
  163    HD2  LYS  19           HD2      LYS  19 -17.948  -7.665   1.848
  164    HD3  LYS  19           HD1      LYS  19 -19.427  -6.822   1.399
  165    HE2  LYS  19           HE2      LYS  19 -20.010  -6.641   3.816
  166    HE3  LYS  19           HE1      LYS  19 -18.457  -7.375   4.214
  167    HZ1  LYS  19           HZ1      LYS  19 -18.820  -4.875   2.655
  168    HZ2  LYS  19           HZ2      LYS  19 -17.335  -5.574   3.093
  169    HZ3  LYS  19           HZ3      LYS  19 -18.370  -4.952   4.288
  170    HA   PRO  20           HA       PRO  20 -17.988 -13.756   4.157
  171    HB2  PRO  20           HB2      PRO  20 -17.965 -11.784   6.415
  172    HB3  PRO  20           HB1      PRO  20 -17.022 -13.273   6.215
  173    HG2  PRO  20           HG2      PRO  20 -15.924 -10.858   5.877
  174    HG3  PRO  20           HG1      PRO  20 -15.445 -12.249   4.885
  175    HD2  PRO  20           HD2      PRO  20 -17.140  -9.901   4.137
  176    HD3  PRO  20           HD1      PRO  20 -16.041 -10.876   3.142
  177    H    ILE  21           HN       ILE  21 -19.733 -14.741   5.173
  178    HA   ILE  21           HA       ILE  21 -22.307 -13.852   4.705
  179    HB   ILE  21           HB       ILE  21 -21.693 -16.181   5.323
  180   HG12  ILE  21          HG12      ILE  21 -23.731 -15.054   7.257
  181   HG13  ILE  21          HG11      ILE  21 -24.046 -15.200   5.525
  182   HG21  ILE  21          HG21      ILE  21 -21.233 -16.774   7.598
  183   HG22  ILE  21          HG22      ILE  21 -21.637 -15.157   8.171
  184   HG23  ILE  21          HG23      ILE  21 -20.172 -15.417   7.223
  185   HD11  ILE  21          HD11      ILE  21 -23.674 -17.605   5.615
  186   HD12  ILE  21          HD12      ILE  21 -24.872 -17.167   6.833
  187   HD13  ILE  21          HD13      ILE  21 -23.207 -17.502   7.313
  188    H    GLY  22           HN       GLY  22 -23.751 -12.580   5.743
  189    HA2  GLY  22           HA2      GLY  22 -22.781 -10.751   7.738
  190    HA3  GLY  22           HA1      GLY  22 -24.409 -10.800   7.069
  191    H    ALA  23           HN       ALA  23 -24.575 -10.287   9.563
  192    HA   ALA  23           HA       ALA  23 -25.635 -10.997  11.481
  193    HB1  ALA  23           HB1      ALA  23 -26.780 -13.018  11.505
  194    HB2  ALA  23           HB2      ALA  23 -25.498 -13.882  10.656
  195    HB3  ALA  23           HB3      ALA  23 -26.565 -12.792   9.770
  196    H    SER  24           HN       SER  24 -23.526 -13.732  10.606
  197    HA   SER  24           HA       SER  24 -22.431 -13.894  13.252
  198    HB2  SER  24           HB2      SER  24 -22.688 -15.860  11.737
  199    HB3  SER  24           HB1      SER  24 -21.429 -15.186  10.705
  200    HG   SER  24           HG       SER  24 -21.258 -16.124  13.365
  201    H    TYR  25           HN       TYR  25 -21.346 -12.598  10.151
  202    HA   TYR  25           HA       TYR  25 -18.703 -11.952  11.078
  203    HB2  TYR  25           HB2      TYR  25 -19.094 -12.325   8.706
  204    HB3  TYR  25           HB1      TYR  25 -20.267 -11.008   8.663
  205    HD1  TYR  25           HD2      TYR  25 -16.679 -11.779   9.366
  206    HD2  TYR  25           HD1      TYR  25 -19.570  -8.770   8.343
  207    HE1  TYR  25           HE2      TYR  25 -14.848 -10.154   8.964
  208    HE2  TYR  25           HE1      TYR  25 -17.740  -7.147   7.943
  209    HH   TYR  25           HH       TYR  25 -14.604  -7.622   8.986
  210    H    GLN  26           HN       GLN  26 -21.807 -10.445  11.234
  211    HA   GLN  26           HA       GLN  26 -20.979  -7.745  11.480
  212    HB2  GLN  26           HB2      GLN  26 -23.320  -8.495  11.026
  213    HB3  GLN  26           HB1      GLN  26 -23.425  -9.031  12.702
  214    HG2  GLN  26           HG2      GLN  26 -24.378  -6.805  12.556
  215    HG3  GLN  26           HG1      GLN  26 -22.848  -6.690  13.423
  216   HE21  GLN  26          HE21      GLN  26 -23.832  -6.693   9.939
  217   HE22  GLN  26          HE22      GLN  26 -22.880  -5.350   9.527
  218    H    GLY  27           HN       GLY  27 -21.206 -10.402  13.738
  219    HA2  GLY  27           HA2      GLY  27 -20.905  -8.796  16.098
  220    HA3  GLY  27           HA1      GLY  27 -20.797 -10.548  16.011
  221    H    ILE  28           HN       ILE  28 -18.760 -10.038  13.740
  222    HA   ILE  28           HA       ILE  28 -16.443 -10.418  15.318
  223    HB   ILE  28           HB       ILE  28 -16.772  -9.766  12.389
  224   HG12  ILE  28          HG12      ILE  28 -17.683 -11.914  13.207
  225   HG13  ILE  28          HG11      ILE  28 -16.346 -12.136  12.084
  226   HG21  ILE  28          HG21      ILE  28 -14.315 -10.419  14.006
  227   HG22  ILE  28          HG22      ILE  28 -14.566  -9.047  12.925
  228   HG23  ILE  28          HG23      ILE  28 -14.393 -10.675  12.265
  229   HD11  ILE  28          HD11      ILE  28 -15.613 -13.591  13.702
  230   HD12  ILE  28          HD12      ILE  28 -16.547 -12.802  14.968
  231   HD13  ILE  28          HD13      ILE  28 -14.992 -12.130  14.477
  232    H    LEU  29           HN       LEU  29 -17.686  -7.606  13.557
  233    HA   LEU  29           HA       LEU  29 -15.439  -5.978  14.486
  234    HB2  LEU  29           HB2      LEU  29 -16.798  -4.197  13.195
  235    HB3  LEU  29           HB1      LEU  29 -15.978  -5.460  12.282
  236    HG   LEU  29           HG       LEU  29 -18.767  -6.100  13.157
  237   HD11  LEU  29          HD11      LEU  29 -18.149  -3.982  11.100
  238   HD12  LEU  29          HD12      LEU  29 -19.216  -3.859  12.497
  239   HD13  LEU  29          HD13      LEU  29 -19.669  -4.876  11.129
  240   HD21  LEU  29          HD21      LEU  29 -18.832  -7.132  10.927
  241   HD22  LEU  29          HD22      LEU  29 -17.365  -7.614  11.774
  242   HD23  LEU  29          HD23      LEU  29 -17.291  -6.380  10.520
  243    H    ASP  30           HN       ASP  30 -18.804  -6.567  15.201
  244    HA   ASP  30           HA       ASP  30 -19.424  -4.188  16.568
  245    HB2  ASP  30           HB2      ASP  30 -21.006  -6.077  15.905
  246    HB3  ASP  30           HB1      ASP  30 -20.436  -6.916  17.345
  247    H    GLN  31           HN       GLN  31 -17.741  -7.109  17.582
  248    HA   GLN  31           HA       GLN  31 -17.717  -6.557  20.361
  249    HB2  GLN  31           HB2      GLN  31 -17.199  -8.788  19.278
  250    HB3  GLN  31           HB1      GLN  31 -15.628  -8.125  18.831
  251    HG2  GLN  31           HG2      GLN  31 -15.361  -9.323  20.905
  252    HG3  GLN  31           HG1      GLN  31 -15.241  -7.600  21.260
  253   HE21  GLN  31          HE21      GLN  31 -16.120  -7.551  23.381
  254   HE22  GLN  31          HE22      GLN  31 -17.688  -8.082  23.755
  255    H    LEU  32           HN       LEU  32 -15.621  -5.605  17.701
  256    HA   LEU  32           HA       LEU  32 -13.456  -4.631  19.222
  257    HB2  LEU  32           HB2      LEU  32 -14.501  -4.084  16.462
  258    HB3  LEU  32           HB1      LEU  32 -13.185  -3.099  17.099
  259    HG   LEU  32           HG       LEU  32 -12.438  -5.108  15.783
  260   HD11  LEU  32          HD11      LEU  32 -11.242  -4.007  17.942
  261   HD12  LEU  32          HD12      LEU  32 -10.558  -5.380  17.076
  262   HD13  LEU  32          HD13      LEU  32 -11.469  -5.646  18.561
  263   HD21  LEU  32          HD21      LEU  32 -14.378  -6.513  16.743
  264   HD22  LEU  32          HD22      LEU  32 -13.344  -6.746  18.152
  265   HD23  LEU  32          HD23      LEU  32 -12.814  -7.310  16.567
  266    H    ASP  33           HN       ASP  33 -16.347  -2.991  17.976
  267    HA   ASP  33           HA       ASP  33 -15.660  -0.454  19.072
  268    HB2  ASP  33           HB2      ASP  33 -17.261  -0.732  17.222
  269    HB3  ASP  33           HB1      ASP  33 -18.377  -1.543  18.319
  270    H    LEU  34           HN       LEU  34 -17.439  -3.236  20.245
  271    HA   LEU  34           HA       LEU  34 -18.630  -2.032  22.487
  272    HB2  LEU  34           HB2      LEU  34 -19.264  -4.262  21.569
  273    HB3  LEU  34           HB1      LEU  34 -17.758  -4.916  22.217
  274    HG   LEU  34           HG       LEU  34 -18.462  -4.180  24.499
  275   HD11  LEU  34          HD11      LEU  34 -21.088  -3.769  24.592
  276   HD12  LEU  34          HD12      LEU  34 -20.832  -3.177  22.947
  277   HD13  LEU  34          HD13      LEU  34 -19.980  -2.430  24.299
  278   HD21  LEU  34          HD21      LEU  34 -18.875  -6.466  23.976
  279   HD22  LEU  34          HD22      LEU  34 -20.241  -6.060  22.937
  280   HD23  LEU  34          HD23      LEU  34 -20.374  -5.867  24.685
  281    H    VAL  35           HN       VAL  35 -15.490  -3.576  22.055
  282    HA   VAL  35           HA       VAL  35 -14.683  -3.801  24.687
  283    HB   VAL  35           HB       VAL  35 -13.488  -4.410  22.403
  284   HG11  VAL  35          HG11      VAL  35 -11.870  -1.951  23.095
  285   HG12  VAL  35          HG12      VAL  35 -13.211  -1.842  21.968
  286   HG13  VAL  35          HG13      VAL  35 -11.849  -2.905  21.609
  287   HG21  VAL  35          HG21      VAL  35 -11.352  -4.655  23.620
  288   HG22  VAL  35          HG22      VAL  35 -12.717  -5.106  24.647
  289   HG23  VAL  35          HG23      VAL  35 -11.932  -3.543  24.861
  290    H    HIS  36           HN       HIS  36 -15.001  -0.953  22.705
  291    HA   HIS  36           HA       HIS  36 -13.439   0.750  24.433
  292    HB2  HIS  36           HB2      HIS  36 -15.289   1.290  22.105
  293    HB3  HIS  36           HB1      HIS  36 -14.482   2.574  23.005
  294    HD2  HIS  36           HD2      HIS  36 -11.606   2.585  22.729
  295    HE1  HIS  36           HE1      HIS  36 -11.546  -0.119  19.487
  296    HE2  HIS  36           HE2      HIS  36 -10.154   1.522  20.837
  297    H    GLN  37           HN       GLN  37 -16.891   0.202  23.803
  298    HA   GLN  37           HA       GLN  37 -17.666   2.076  25.891
  299    HB2  GLN  37           HB2      GLN  37 -18.935   1.618  23.685
  300    HB3  GLN  37           HB1      GLN  37 -19.504   0.148  24.473
  301    HG2  GLN  37           HG2      GLN  37 -21.159   1.865  24.858
  302    HG3  GLN  37           HG1      GLN  37 -20.320   1.590  26.384
  303   HE21  GLN  37          HE21      GLN  37 -20.443   3.699  27.286
  304   HE22  GLN  37          HE22      GLN  37 -19.769   5.069  26.545
  305    H    ALA  38           HN       ALA  38 -16.646  -1.114  25.772
  306    HA   ALA  38           HA       ALA  38 -18.365  -2.299  27.704
  307    HB1  ALA  38           HB1      ALA  38 -16.605  -4.010  27.894
  308    HB2  ALA  38           HB2      ALA  38 -15.521  -2.990  26.946
  309    HB3  ALA  38           HB3      ALA  38 -16.980  -3.652  26.210
  310    H    LYS  39           HN       LYS  39 -18.177  -2.485  29.893
  311    HA   LYS  39           HA       LYS  39 -16.765  -0.402  31.262
  312    HB2  LYS  39           HB2      LYS  39 -18.948  -1.280  32.036
  313    HB3  LYS  39           HB1      LYS  39 -18.187  -2.831  32.381
  314    HG2  LYS  39           HG2      LYS  39 -16.805  -0.497  33.616
  315    HG3  LYS  39           HG1      LYS  39 -18.432  -0.794  34.232
  316    HD2  LYS  39           HD2      LYS  39 -17.865  -3.080  34.793
  317    HD3  LYS  39           HD1      LYS  39 -16.277  -2.912  34.045
  318    HE2  LYS  39           HE2      LYS  39 -15.677  -1.176  35.680
  319    HE3  LYS  39           HE1      LYS  39 -17.276  -1.304  36.415
  320    HZ1  LYS  39           HZ1      LYS  39 -16.801  -3.315  37.330
  321    HZ2  LYS  39           HZ2      LYS  39 -15.242  -2.639  37.345
  322    HZ3  LYS  39           HZ3      LYS  39 -15.682  -3.741  36.128
  323    H    GLY  40           HN       GLY  40 -15.180  -0.760  32.980
  324    HA2  GLY  40           HA2      GLY  40 -12.830  -1.882  32.367
  325    HA3  GLY  40           HA1      GLY  40 -13.411  -1.872  34.028
  326    H    ARG  41           HN       ARG  41 -14.814  -3.751  34.662
  327    HA   ARG  41           HA       ARG  41 -13.527  -6.205  34.175
  328    HB2  ARG  41           HB2      ARG  41 -14.935  -5.703  36.167
  329    HB3  ARG  41           HB1      ARG  41 -16.363  -5.759  35.135
  330    HG2  ARG  41           HG2      ARG  41 -15.813  -8.100  34.518
  331    HG3  ARG  41           HG1      ARG  41 -14.417  -8.039  35.593
  332    HD2  ARG  41           HD2      ARG  41 -17.269  -7.564  36.481
  333    HD3  ARG  41           HD1      ARG  41 -16.431  -9.107  36.623
  334    HE   ARG  41           HE       ARG  41 -14.835  -7.132  37.832
  335   HH11  ARG  41          HH21      ARG  41 -17.890  -8.716  38.204
  336   HH12  ARG  41          HH22      ARG  41 -17.918  -8.556  39.929
  337   HH21  ARG  41          HH11      ARG  41 -14.868  -6.916  40.092
  338   HH22  ARG  41          HH12      ARG  41 -16.208  -7.536  40.997
  339    H    ASP  42           HN       ASP  42 -16.500  -4.826  32.779
  340    HA   ASP  42           HA       ASP  42 -17.250  -7.095  31.280
  341    HB2  ASP  42           HB2      ASP  42 -18.694  -5.100  31.731
  342    HB3  ASP  42           HB1      ASP  42 -17.727  -4.197  30.567
  343    H    GLN  43           HN       GLN  43 -14.796  -4.704  30.787
  344    HA   GLN  43           HA       GLN  43 -14.500  -5.002  27.982
  345    HB2  GLN  43           HB2      GLN  43 -13.616  -3.070  29.318
  346    HB3  GLN  43           HB1      GLN  43 -12.379  -4.151  29.961
  347    HG2  GLN  43           HG2      GLN  43 -11.565  -4.603  27.694
  348    HG3  GLN  43           HG1      GLN  43 -12.822  -3.567  27.021
  349   HE21  GLN  43          HE21      GLN  43 -12.028  -1.529  26.515
  350   HE22  GLN  43          HE22      GLN  43 -10.807  -0.716  27.369
  351    H    ILE  44           HN       ILE  44 -13.253  -6.695  30.767
  352    HA   ILE  44           HA       ILE  44 -11.170  -8.124  29.500
  353    HB   ILE  44           HB       ILE  44 -12.842  -8.758  31.947
  354   HG12  ILE  44          HG12      ILE  44  -9.953  -7.871  31.711
  355   HG13  ILE  44          HG11      ILE  44 -11.294  -6.739  31.920
  356   HG21  ILE  44          HG21      ILE  44 -10.842 -10.333  32.416
  357   HG22  ILE  44          HG22      ILE  44 -10.489 -10.196  30.694
  358   HG23  ILE  44          HG23      ILE  44 -12.024 -10.879  31.227
  359   HD11  ILE  44          HD11      ILE  44 -11.949  -7.910  33.998
  360   HD12  ILE  44          HD12      ILE  44 -10.297  -7.307  34.101
  361   HD13  ILE  44          HD13      ILE  44 -10.594  -9.019  33.797
  362    H    ALA  45           HN       ALA  45 -14.600  -8.867  30.022
  363    HA   ALA  45           HA       ALA  45 -14.606 -11.483  29.026
  364    HB1  ALA  45           HB1      ALA  45 -16.507 -10.375  30.217
  365    HB2  ALA  45           HB2      ALA  45 -16.995 -11.196  28.734
  366    HB3  ALA  45           HB3      ALA  45 -16.825  -9.441  28.755
  367    H    ALA  46           HN       ALA  46 -14.846  -8.375  27.347
  368    HA   ALA  46           HA       ALA  46 -15.494  -9.353  24.775
  369    HB1  ALA  46           HB1      ALA  46 -14.086  -6.855  25.733
  370    HB2  ALA  46           HB2      ALA  46 -15.753  -7.021  25.182
  371    HB3  ALA  46           HB3      ALA  46 -14.426  -7.165  24.029
  372    H    SER  47           HN       SER  47 -12.383  -8.705  26.380
  373    HA   SER  47           HA       SER  47 -10.761  -9.288  24.165
  374    HB2  SER  47           HB2      SER  47 -10.131  -9.637  27.101
  375    HB3  SER  47           HB1      SER  47  -8.949  -9.575  25.796
  376    HG   SER  47           HG       SER  47 -10.799  -7.511  25.898
  377    H    PHE  48           HN       PHE  48 -11.873 -11.347  26.831
  378    HA   PHE  48           HA       PHE  48 -10.557 -13.705  25.995
  379    HB2  PHE  48           HB2      PHE  48 -11.445 -13.442  28.259
  380    HB3  PHE  48           HB1      PHE  48 -13.090 -13.374  27.622
  381    HD1  PHE  48           HD2      PHE  48 -10.031 -15.547  27.535
  382    HD2  PHE  48           HD1      PHE  48 -14.323 -15.366  27.450
  383    HE1  PHE  48           HE2      PHE  48 -10.138 -18.025  27.568
  384    HE2  PHE  48           HE1      PHE  48 -14.428 -17.843  27.483
  385    HZ   PHE  48           HZ       PHE  48 -12.335 -19.173  27.543
  386    H    GLU  49           HN       GLU  49 -13.871 -12.526  25.450
  387    HA   GLU  49           HA       GLU  49 -14.691 -14.757  23.884
  388    HB2  GLU  49           HB2      GLU  49 -16.261 -13.196  25.024
  389    HB3  GLU  49           HB1      GLU  49 -15.803 -11.940  23.873
  390    HG2  GLU  49           HG2      GLU  49 -16.580 -13.338  22.011
  391    HG3  GLU  49           HG1      GLU  49 -17.000 -14.626  23.136
  392    H    LEU  50           HN       LEU  50 -13.373 -11.577  23.100
  393    HA   LEU  50           HA       LEU  50 -13.662 -11.735  20.312
  394    HB2  LEU  50           HB2      LEU  50 -13.121  -9.627  21.457
  395    HB3  LEU  50           HB1      LEU  50 -11.546 -10.268  21.917
  396    HG   LEU  50           HG       LEU  50 -10.933 -10.483  19.535
  397   HD11  LEU  50          HD11      LEU  50 -12.872 -10.866  18.303
  398   HD12  LEU  50          HD12      LEU  50 -12.609  -9.161  17.954
  399   HD13  LEU  50          HD13      LEU  50 -13.800  -9.639  19.165
  400   HD21  LEU  50          HD21      LEU  50 -10.575  -8.169  19.128
  401   HD22  LEU  50          HD22      LEU  50 -10.644  -8.323  20.883
  402   HD23  LEU  50          HD23      LEU  50 -12.038  -7.709  19.996
  403    H    ASN  51           HN       ASN  51 -11.172 -12.915  22.494
  404    HA   ASN  51           HA       ASN  51  -9.179 -13.529  20.636
  405    HB2  ASN  51           HB2      ASN  51  -9.945 -14.874  23.234
  406    HB3  ASN  51           HB1      ASN  51  -8.489 -15.274  22.325
  407   HD21  ASN  51          HD21      ASN  51  -8.209 -14.221  24.924
  408   HD22  ASN  51          HD22      ASN  51  -7.593 -12.642  24.825
  409    H    LYS  52           HN       LYS  52 -12.012 -15.382  21.674
  410    HA   LYS  52           HA       LYS  52 -11.385 -17.747  20.252
  411    HB2  LYS  52           HB2      LYS  52 -13.770 -16.611  21.609
  412    HB3  LYS  52           HB1      LYS  52 -14.133 -17.789  20.353
  413    HG2  LYS  52           HG2      LYS  52 -13.931 -19.024  22.385
  414    HG3  LYS  52           HG1      LYS  52 -12.438 -19.326  21.499
  415    HD2  LYS  52           HD2      LYS  52 -11.535 -18.780  23.575
  416    HD3  LYS  52           HD1      LYS  52 -11.612 -17.165  22.872
  417    HE2  LYS  52           HE2      LYS  52 -12.600 -16.969  25.033
  418    HE3  LYS  52           HE1      LYS  52 -13.953 -16.999  23.900
  419    HZ1  LYS  52           HZ1      LYS  52 -14.650 -18.595  25.315
  420    HZ2  LYS  52           HZ2      LYS  52 -13.081 -19.022  25.807
  421    HZ3  LYS  52           HZ3      LYS  52 -13.689 -19.576  24.320
  422    H    LYS  53           HN       LYS  53 -13.270 -14.881  19.383
  423    HA   LYS  53           HA       LYS  53 -14.165 -15.820  16.882
  424    HB2  LYS  53           HB2      LYS  53 -13.670 -13.030  17.935
  425    HB3  LYS  53           HB1      LYS  53 -14.407 -13.352  16.368
  426    HG2  LYS  53           HG2      LYS  53 -16.213 -14.593  17.442
  427    HG3  LYS  53           HG1      LYS  53 -15.453 -14.366  19.020
  428    HD2  LYS  53           HD2      LYS  53 -15.653 -11.900  18.734
  429    HD3  LYS  53           HD1      LYS  53 -16.495 -12.167  17.206
  430    HE2  LYS  53           HE2      LYS  53 -17.410 -13.315  19.839
  431    HE3  LYS  53           HE1      LYS  53 -18.006 -11.790  19.189
  432    HZ1  LYS  53           HZ1      LYS  53 -19.544 -13.257  18.372
  433    HZ2  LYS  53           HZ2      LYS  53 -18.429 -14.528  18.214
  434    HZ3  LYS  53           HZ3      LYS  53 -18.433 -13.253  17.090
  435    H    ILE  54           HN       ILE  54 -11.323 -13.871  17.779
  436    HA   ILE  54           HA       ILE  54 -10.305 -13.676  15.126
  437    HB   ILE  54           HB       ILE  54  -8.972 -13.357  17.826
  438   HG12  ILE  54          HG12      ILE  54  -9.777 -11.291  15.759
  439   HG13  ILE  54          HG11      ILE  54 -10.798 -11.744  17.125
  440   HG21  ILE  54          HG21      ILE  54  -7.219 -12.129  16.432
  441   HG22  ILE  54          HG22      ILE  54  -7.936 -12.895  15.017
  442   HG23  ILE  54          HG23      ILE  54  -7.211 -13.887  16.281
  443   HD11  ILE  54          HD11      ILE  54  -9.541  -9.779  17.766
  444   HD12  ILE  54          HD12      ILE  54  -8.028 -10.521  17.245
  445   HD13  ILE  54          HD13      ILE  54  -8.883 -11.154  18.651
  446    H    ASN  55           HN       ASN  55  -9.602 -15.838  17.856
  447    HA   ASN  55           HA       ASN  55  -7.516 -17.274  16.629
  448    HB2  ASN  55           HB2      ASN  55  -9.459 -17.958  18.834
  449    HB3  ASN  55           HB1      ASN  55  -8.230 -19.101  18.295
  450   HD21  ASN  55          HD21      ASN  55  -8.193 -18.005  20.945
  451   HD22  ASN  55          HD22      ASN  55  -6.826 -17.008  21.086
  452    H    ASP  56           HN       ASP  56 -11.017 -17.784  16.679
  453    HA   ASP  56           HA       ASP  56 -11.040 -20.269  15.338
  454    HB2  ASP  56           HB2      ASP  56 -12.990 -19.414  16.549
  455    HB3  ASP  56           HB1      ASP  56 -13.142 -18.090  15.394
  456    H    TYR  57           HN       TYR  57 -11.136 -16.933  14.173
  457    HA   TYR  57           HA       TYR  57 -11.666 -17.439  11.468
  458    HB2  TYR  57           HB2      TYR  57 -11.653 -15.184  12.589
  459    HB3  TYR  57           HB1      TYR  57  -9.890 -15.240  12.545
  460    HD1  TYR  57           HD2      TYR  57  -8.675 -15.184  10.398
  461    HD2  TYR  57           HD1      TYR  57 -12.958 -14.900  10.564
  462    HE1  TYR  57           HE2      TYR  57  -8.715 -14.386   8.049
  463    HE2  TYR  57           HE1      TYR  57 -12.997 -14.104   8.217
  464    HH   TYR  57           HH       TYR  57 -11.780 -13.827   6.350
  465    H    ILE  58           HN       ILE  58  -8.616 -17.372  13.267
  466    HA   ILE  58           HA       ILE  58  -6.876 -17.647  11.063
  467    HB   ILE  58           HB       ILE  58  -6.575 -18.496  13.955
  468   HG12  ILE  58          HG12      ILE  58  -5.358 -16.165  12.443
  469   HG13  ILE  58          HG11      ILE  58  -6.851 -16.037  13.381
  470   HG21  ILE  58          HG21      ILE  58  -4.084 -18.435  13.322
  471   HG22  ILE  58          HG22      ILE  58  -4.622 -18.500  11.644
  472   HG23  ILE  58          HG23      ILE  58  -5.005 -19.824  12.743
  473   HD11  ILE  58          HD11      ILE  58  -5.039 -15.338  14.814
  474   HD12  ILE  58          HD12      ILE  58  -4.097 -16.772  14.410
  475   HD13  ILE  58          HD13      ILE  58  -5.567 -16.924  15.372
  476    H    ALA  59           HN       ALA  59  -8.465 -20.057  13.137
  477    HA   ALA  59           HA       ALA  59  -7.246 -22.352  12.082
  478    HB1  ALA  59           HB1      ALA  59  -8.620 -22.371  14.125
  479    HB2  ALA  59           HB2      ALA  59  -9.201 -23.563  12.962
  480    HB3  ALA  59           HB3      ALA  59 -10.057 -22.034  13.162
  481    H    GLU  60           HN       GLU  60 -10.111 -20.556  11.040
  482    HA   GLU  60           HA       GLU  60 -10.734 -22.385   8.906
  483    HB2  GLU  60           HB2      GLU  60 -11.695 -19.576   9.501
  484    HB3  GLU  60           HB1      GLU  60 -12.337 -20.599   8.214
  485    HG2  GLU  60           HG2      GLU  60 -12.301 -21.357  11.148
  486    HG3  GLU  60           HG1      GLU  60 -13.702 -20.695  10.308
  487    H    HIS  61           HN       HIS  61  -8.256 -20.266   9.307
  488    HA   HIS  61           HA       HIS  61  -7.968 -19.827   6.382
  489    HB2  HIS  61           HB2      HIS  61  -7.309 -17.947   8.653
  490    HB3  HIS  61           HB1      HIS  61  -6.709 -17.737   7.006
  491    HD2  HIS  61           HD2      HIS  61  -8.427 -16.169   5.536
  492    HE1  HIS  61           HE1      HIS  61 -12.016 -17.107   7.554
  493    HE2  HIS  61           HE2      HIS  61 -10.997 -15.724   5.684
  494    HA   PRO  62           HA       PRO  62  -4.363 -22.153   8.328
  495    HB2  PRO  62           HB2      PRO  62  -4.437 -24.291   6.571
  496    HB3  PRO  62           HB1      PRO  62  -5.318 -24.252   8.113
  497    HG2  PRO  62           HG2      PRO  62  -6.317 -23.709   5.351
  498    HG3  PRO  62           HG1      PRO  62  -7.095 -24.594   6.674
  499    HD2  PRO  62           HD2      PRO  62  -7.770 -22.041   6.045
  500    HD3  PRO  62           HD1      PRO  62  -7.844 -22.650   7.711
  501    H    THR  63           HN       THR  63  -5.306 -21.108   5.163
  502    HA   THR  63           HA       THR  63  -2.717 -21.475   3.938
  503    HB   THR  63           HB       THR  63  -4.365 -21.507   2.307
  504    HG1  THR  63           HG1      THR  63  -4.238 -18.759   2.164
  505   HG21  THR  63          HG21      THR  63  -6.271 -19.807   2.345
  506   HG22  THR  63          HG22      THR  63  -5.717 -19.370   3.961
  507   HG23  THR  63          HG23      THR  63  -6.281 -21.009   3.636
  508    H    SER  64           HN       SER  64  -4.113 -19.199   6.030
  509    HA   SER  64           HA       SER  64  -3.284 -17.263   6.948
  510    HB2  SER  64           HB2      SER  64  -0.805 -17.464   5.260
  511    HB3  SER  64           HB1      SER  64  -0.985 -16.872   6.909
  512    HG   SER  64           HG       SER  64  -1.743 -19.239   7.190
  513    H    GLY  65           HN       GLY  65  -3.226 -15.052   6.458
  514    HA2  GLY  65           HA2      GLY  65  -2.735 -13.821   4.041
  515    HA3  GLY  65           HA1      GLY  65  -4.421 -14.323   3.965
  516    H    ARG  66           HN       ARG  66  -5.918 -13.059   4.886
  517    HA   ARG  66           HA       ARG  66  -5.108 -10.559   6.078
  518    HB2  ARG  66           HB2      ARG  66  -7.871 -11.736   5.711
  519    HB3  ARG  66           HB1      ARG  66  -7.502 -10.059   6.108
  520    HG2  ARG  66           HG2      ARG  66  -6.377 -11.350   3.619
  521    HG3  ARG  66           HG1      ARG  66  -7.986 -10.629   3.620
  522    HD2  ARG  66           HD2      ARG  66  -6.940  -8.495   4.476
  523    HD3  ARG  66           HD1      ARG  66  -5.363  -9.238   4.235
  524    HE   ARG  66           HE       ARG  66  -5.641  -9.031   1.925
  525   HH11  ARG  66          HH21      ARG  66  -8.531  -8.271   3.669
  526   HH12  ARG  66          HH22      ARG  66  -9.335  -7.574   2.305
  527   HH21  ARG  66          HH11      ARG  66  -6.685  -8.116   0.135
  528   HH22  ARG  66          HH12      ARG  66  -8.289  -7.486   0.301
  529    H    ASN  67           HN       ASN  67  -5.669 -13.654   7.245
  530    HA   ASN  67           HA       ASN  67  -6.938 -13.113   9.715
  531    HB2  ASN  67           HB2      ASN  67  -6.162 -15.309  10.388
  532    HB3  ASN  67           HB1      ASN  67  -6.699 -15.381   8.711
  533   HD21  ASN  67          HD21      ASN  67  -4.851 -17.302   9.703
  534   HD22  ASN  67          HD22      ASN  67  -3.346 -17.041   8.962
  535    H    GLN  68           HN       GLN  68  -3.735 -12.570   8.574
  536    HA   GLN  68           HA       GLN  68  -2.338 -12.614  11.041
  537    HB2  GLN  68           HB2      GLN  68  -1.804 -11.155   8.448
  538    HB3  GLN  68           HB1      GLN  68  -0.688 -11.153   9.814
  539    HG2  GLN  68           HG2      GLN  68  -0.530 -13.593   9.727
  540    HG3  GLN  68           HG1      GLN  68  -1.709 -13.643   8.418
  541   HE21  GLN  68          HE21      GLN  68   1.598 -13.674   9.009
  542   HE22  GLN  68          HE22      GLN  68   2.137 -13.133   7.494
  543    H    ALA  69           HN       ALA  69  -4.229 -10.150   9.386
  544    HA   ALA  69           HA       ALA  69  -3.444  -7.978  11.066
  545    HB1  ALA  69           HB1      ALA  69  -5.845  -8.393   9.274
  546    HB2  ALA  69           HB2      ALA  69  -4.375  -7.493   8.899
  547    HB3  ALA  69           HB3      ALA  69  -5.498  -6.883  10.114
  548    H    LEU  70           HN       LEU  70  -6.102 -10.304  11.116
  549    HA   LEU  70           HA       LEU  70  -7.544  -9.119  13.257
  550    HB2  LEU  70           HB2      LEU  70  -7.467 -11.982  12.281
  551    HB3  LEU  70           HB1      LEU  70  -8.645 -11.341  13.431
  552    HG   LEU  70           HG       LEU  70  -8.208 -10.244  10.639
  553   HD11  LEU  70          HD11      LEU  70  -9.127 -12.426  10.373
  554   HD12  LEU  70          HD12      LEU  70 -10.487 -11.311  10.236
  555   HD13  LEU  70          HD13      LEU  70 -10.230 -12.206  11.734
  556   HD21  LEU  70          HD21      LEU  70  -9.195  -8.471  11.791
  557   HD22  LEU  70          HD22      LEU  70 -10.036  -9.529  12.923
  558   HD23  LEU  70          HD23      LEU  70 -10.636  -9.342  11.273
  559    H    THR  71           HN       THR  71  -4.958 -11.501  13.110
  560    HA   THR  71           HA       THR  71  -5.009 -12.363  15.778
  561    HB   THR  71           HB       THR  71  -2.501 -12.047  14.131
  562    HG1  THR  71           HG1      THR  71  -3.533 -13.245  12.752
  563   HG21  THR  71          HG21      THR  71  -2.369 -12.789  16.536
  564   HG22  THR  71          HG22      THR  71  -1.766 -13.979  15.383
  565   HG23  THR  71          HG23      THR  71  -3.364 -14.178  16.102
  566    H    GLN  72           HN       GLN  72  -3.666  -9.483  14.302
  567    HA   GLN  72           HA       GLN  72  -1.974  -8.662  16.399
  568    HB2  GLN  72           HB2      GLN  72  -3.512  -7.088  14.332
  569    HB3  GLN  72           HB1      GLN  72  -2.334  -6.364  15.425
  570    HG2  GLN  72           HG2      GLN  72  -1.714  -8.678  13.568
  571    HG3  GLN  72           HG1      GLN  72  -1.382  -6.991  13.178
  572   HE21  GLN  72          HE21      GLN  72   0.278  -9.603  14.108
  573   HE22  GLN  72          HE22      GLN  72   1.406  -8.910  15.169
  574    H    LEU  73           HN       LEU  73  -5.429  -8.155  15.837
  575    HA   LEU  73           HA       LEU  73  -5.867  -6.322  17.941
  576    HB2  LEU  73           HB2      LEU  73  -7.610  -8.214  16.385
  577    HB3  LEU  73           HB1      LEU  73  -8.279  -7.354  17.774
  578    HG   LEU  73           HG       LEU  73  -8.596  -6.158  15.580
  579   HD11  LEU  73          HD11      LEU  73  -6.786  -4.330  17.089
  580   HD12  LEU  73          HD12      LEU  73  -8.081  -5.066  18.034
  581   HD13  LEU  73          HD13      LEU  73  -8.468  -4.113  16.604
  582   HD21  LEU  73          HD21      LEU  73  -6.279  -6.948  14.753
  583   HD22  LEU  73          HD22      LEU  73  -5.623  -5.614  15.703
  584   HD23  LEU  73          HD23      LEU  73  -6.734  -5.284  14.375
  585    H    LYS  74           HN       LYS  74  -5.948  -9.848  17.811
  586    HA   LYS  74           HA       LYS  74  -6.970 -10.303  20.376
  587    HB2  LYS  74           HB2      LYS  74  -6.761 -12.067  18.725
  588    HB3  LYS  74           HB1      LYS  74  -5.004 -11.924  18.757
  589    HG2  LYS  74           HG2      LYS  74  -6.227 -12.336  21.438
  590    HG3  LYS  74           HG1      LYS  74  -6.455 -13.689  20.336
  591    HD2  LYS  74           HD2      LYS  74  -3.723 -12.451  20.627
  592    HD3  LYS  74           HD1      LYS  74  -4.301 -13.590  21.846
  593    HE2  LYS  74           HE2      LYS  74  -2.982 -14.476  19.724
  594    HE3  LYS  74           HE1      LYS  74  -4.363 -15.376  20.355
  595    HZ1  LYS  74           HZ1      LYS  74  -4.880 -15.219  18.139
  596    HZ2  LYS  74           HZ2      LYS  74  -4.193 -13.675  17.960
  597    HZ3  LYS  74           HZ3      LYS  74  -5.689 -13.857  18.744
  598    H    GLU  75           HN       GLU  75  -3.578 -10.092  19.283
  599    HA   GLU  75           HA       GLU  75  -2.471 -10.364  21.896
  600    HB2  GLU  75           HB2      GLU  75  -1.312  -9.260  19.330
  601    HB3  GLU  75           HB1      GLU  75  -0.382  -9.514  20.808
  602    HG2  GLU  75           HG2      GLU  75  -0.966 -11.904  20.781
  603    HG3  GLU  75           HG1      GLU  75  -1.919 -11.662  19.318
  604    H    GLN  76           HN       GLN  76  -3.315  -7.598  19.860
  605    HA   GLN  76           HA       GLN  76  -2.184  -5.595  21.502
  606    HB2  GLN  76           HB2      GLN  76  -2.933  -5.299  19.120
  607    HB3  GLN  76           HB1      GLN  76  -4.597  -5.311  19.704
  608    HG2  GLN  76           HG2      GLN  76  -4.235  -3.342  21.033
  609    HG3  GLN  76           HG1      GLN  76  -2.495  -3.403  20.754
  610   HE21  GLN  76          HE21      GLN  76  -5.444  -3.453  18.649
  611   HE22  GLN  76          HE22      GLN  76  -4.847  -2.295  17.561
  612    H    VAL  77           HN       VAL  77  -5.552  -6.776  21.262
  613    HA   VAL  77           HA       VAL  77  -6.605  -5.164  23.303
  614    HB   VAL  77           HB       VAL  77  -7.442  -7.878  22.260
  615   HG11  VAL  77          HG11      VAL  77  -8.405  -7.756  24.426
  616   HG12  VAL  77          HG12      VAL  77  -9.676  -7.197  23.339
  617   HG13  VAL  77          HG13      VAL  77  -8.736  -6.032  24.273
  618   HG21  VAL  77          HG21      VAL  77  -7.479  -5.792  20.770
  619   HG22  VAL  77          HG22      VAL  77  -8.729  -5.173  21.849
  620   HG23  VAL  77          HG23      VAL  77  -9.006  -6.657  20.937
  621    H    THR  78           HN       THR  78  -5.324  -8.489  23.407
  622    HA   THR  78           HA       THR  78  -5.745  -8.909  26.164
  623    HB   THR  78           HB       THR  78  -3.926 -10.657  25.882
  624    HG1  THR  78           HG1      THR  78  -2.880 -10.733  24.051
  625   HG21  THR  78          HG21      THR  78  -6.254 -11.249  25.576
  626   HG22  THR  78          HG22      THR  78  -5.317 -12.012  24.292
  627   HG23  THR  78          HG23      THR  78  -6.260 -10.560  23.953
  628    H    SER  79           HN       SER  79  -2.979  -7.628  24.366
  629    HA   SER  79           HA       SER  79  -1.210  -7.401  26.557
  630    HB2  SER  79           HB2      SER  79  -1.364  -5.948  23.916
  631    HB3  SER  79           HB1      SER  79  -0.078  -5.666  25.087
  632    HG   SER  79           HG       SER  79  -0.470  -8.303  24.740
  633    H    ALA  80           HN       ALA  80  -3.690  -5.262  25.257
  634    HA   ALA  80           HA       ALA  80  -3.059  -2.916  26.627
  635    HB1  ALA  80           HB1      ALA  80  -4.773  -3.024  24.874
  636    HB2  ALA  80           HB2      ALA  80  -5.430  -2.322  26.353
  637    HB3  ALA  80           HB3      ALA  80  -5.797  -3.994  25.932
  638    H    LEU  81           HN       LEU  81  -5.106  -5.630  27.645
  639    HA   LEU  81           HA       LEU  81  -5.785  -4.536  30.178
  640    HB2  LEU  81           HB2      LEU  81  -5.689  -7.426  29.286
  641    HB3  LEU  81           HB1      LEU  81  -6.522  -6.814  30.718
  642    HG   LEU  81           HG       LEU  81  -7.102  -5.932  27.875
  643   HD11  LEU  81          HD11      LEU  81  -7.862  -8.187  28.037
  644   HD12  LEU  81          HD12      LEU  81  -9.291  -7.209  28.365
  645   HD13  LEU  81          HD13      LEU  81  -8.417  -7.963  29.696
  646   HD21  LEU  81          HD21      LEU  81  -8.222  -5.198  30.582
  647   HD22  LEU  81          HD22      LEU  81  -9.277  -5.151  29.168
  648   HD23  LEU  81          HD23      LEU  81  -7.830  -4.148  29.218
  649    H    GLY  82           HN       GLY  82  -3.057  -6.367  28.997
  650    HA2  GLY  82           HA2      GLY  82  -0.954  -6.555  29.987
  651    HA3  GLY  82           HA1      GLY  82  -1.604  -5.841  31.460
  652    H    LEU  83           HN       LEU  83  -3.433  -8.407  30.105
  653    HA   LEU  83           HA       LEU  83  -3.191 -10.026  32.415
  654    HB2  LEU  83           HB2      LEU  83  -4.257 -10.601  29.648
  655    HB3  LEU  83           HB1      LEU  83  -4.376 -11.743  30.989
  656    HG   LEU  83           HG       LEU  83  -5.410  -8.896  31.121
  657   HD11  LEU  83          HD11      LEU  83  -6.855 -11.457  30.392
  658   HD12  LEU  83          HD12      LEU  83  -6.666 -10.017  29.392
  659   HD13  LEU  83          HD13      LEU  83  -7.673  -9.959  30.837
  660   HD21  LEU  83          HD21      LEU  83  -5.526 -11.296  32.946
  661   HD22  LEU  83          HD22      LEU  83  -6.868 -10.150  32.957
  662   HD23  LEU  83          HD23      LEU  83  -5.242  -9.602  33.347
  663    H    GLU  84           HN       GLU  84  -1.724 -10.204  29.208
  664    HA   GLU  84           HA       GLU  84   0.070 -11.392  28.413
  665    HB2  GLU  84           HB2      GLU  84   1.157 -10.230  30.371
  666    HB3  GLU  84           HB1      GLU  84   0.848 -11.681  31.324
  667    HG2  GLU  84           HG2      GLU  84   3.091 -11.859  30.481
  668    HG3  GLU  84           HG1      GLU  84   2.104 -12.993  29.560
  669    H    HIS  85           HN       HIS  85   0.683 -13.506  27.960
  670    HA   HIS  85           HA       HIS  85   0.416 -15.780  27.803
  671    HB2  HIS  85           HB2      HIS  85   1.368 -15.602  30.139
  672    HB3  HIS  85           HB1      HIS  85  -0.289 -15.671  30.741
  673    HD2  HIS  85           HD2      HIS  85   2.439 -18.081  29.423
  674    HE1  HIS  85           HE1      HIS  85  -1.106 -20.336  29.836
  675    HE2  HIS  85           HE2      HIS  85   1.393 -20.474  29.409
  676    H    HIS  86           HN       HIS  86  -1.176 -17.315  27.418
  677    HA   HIS  86           HA       HIS  86  -3.783 -16.387  26.971
  678    HB2  HIS  86           HB2      HIS  86  -2.847 -18.305  25.776
  679    HB3  HIS  86           HB1      HIS  86  -2.804 -19.237  27.273
  680    HD2  HIS  86           HD2      HIS  86  -5.340 -18.256  24.505
  681    HE1  HIS  86           HE1      HIS  86  -7.512 -20.252  27.526
  682    HE2  HIS  86           HE2      HIS  86  -7.629 -19.328  25.165
  683    H    HIS  87           HN       HIS  87  -3.398 -19.252  28.963
  684    HA   HIS  87           HA       HIS  87  -4.626 -19.938  30.788
  685    HB2  HIS  87           HB2      HIS  87  -2.719 -18.395  31.649
  686    HB3  HIS  87           HB1      HIS  87  -4.003 -17.223  31.944
  687    HD2  HIS  87           HD2      HIS  87  -5.939 -20.152  32.753
  688    HE1  HIS  87           HE1      HIS  87  -3.579 -19.730  36.228
  689    HE2  HIS  87           HE2      HIS  87  -5.638 -20.850  35.251
  690    H    HIS  88           HN       HIS  88  -5.898 -18.009  32.671
  691    HA   HIS  88           HA       HIS  88  -8.100 -17.411  33.057
  692    HB2  HIS  88           HB2      HIS  88  -7.341 -15.821  30.602
  693    HB3  HIS  88           HB1      HIS  88  -8.836 -15.553  31.498
  694    HD2  HIS  88           HD2      HIS  88  -8.530 -14.098  33.867
  695    HE1  HIS  88           HE1      HIS  88  -4.313 -13.909  33.835
  696    HE2  HIS  88           HE2      HIS  88  -6.412 -13.082  35.003
  697    H    HIS  89           HN       HIS  89  -8.138 -19.879  31.967
  698    HA   HIS  89           HA       HIS  89  -9.514 -20.213  29.544
  699    HB2  HIS  89           HB2      HIS  89  -8.409 -22.065  30.720
  700    HB3  HIS  89           HB1      HIS  89  -9.593 -21.951  32.023
  701    HD2  HIS  89           HD2      HIS  89 -11.967 -23.322  31.534
  702    HE1  HIS  89           HE1      HIS  89 -11.277 -24.191  27.460
  703    HE2  HIS  89           HE2      HIS  89 -12.836 -24.592  29.424
  704    H    HIS  90           HN       HIS  90 -10.728 -19.893  32.870
  705    HA   HIS  90           HA       HIS  90 -13.488 -20.071  32.071
  706    HB2  HIS  90           HB2      HIS  90 -12.796 -20.774  34.310
  707    HB3  HIS  90           HB1      HIS  90 -12.232 -19.141  34.665
  708    HD2  HIS  90           HD2      HIS  90 -14.208 -17.476  35.671
  709    HE1  HIS  90           HE1      HIS  90 -17.543 -19.854  34.647
  710    HE2  HIS  90           HE2      HIS  90 -16.800 -17.746  35.852
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  -7.911   7.367  25.735
    2    H2   MET   1           HT2      MET   1  -9.150   6.389  25.105
    3    H3   MET   1           HT3      MET   1  -9.017   8.012  24.622
    4    HA   MET   1           HA       MET   1  -7.426   7.599  23.121
    5    HB2  MET   1           HB2      MET   1  -5.720   5.721  23.578
    6    HB3  MET   1           HB1      MET   1  -5.668   7.127  24.642
    7    HG2  MET   1           HG2      MET   1  -6.942   5.953  26.346
    8    HG3  MET   1           HG1      MET   1  -7.183   4.577  25.270
    9    HE1  MET   1           HE1      MET   1  -3.723   6.713  25.863
   10    HE2  MET   1           HE2      MET   1  -3.421   5.961  27.427
   11    HE3  MET   1           HE3      MET   1  -4.934   6.818  27.148
   12    H    GLY   2           HN       GLY   2  -6.568   5.311  21.955
   13    HA2  GLY   2           HA2      GLY   2  -8.719   3.349  21.844
   14    HA3  GLY   2           HA1      GLY   2  -8.532   4.344  20.403
   15    H    GLN   3           HN       GLN   3  -6.808   2.125  22.560
   16    HA   GLN   3           HA       GLN   3  -4.610   1.757  20.727
   17    HB2  GLN   3           HB2      GLN   3  -5.423   0.182  23.184
   18    HB3  GLN   3           HB1      GLN   3  -3.896   0.013  22.318
   19    HG2  GLN   3           HG2      GLN   3  -4.874   2.596  23.563
   20    HG3  GLN   3           HG1      GLN   3  -3.724   1.498  24.326
   21   HE21  GLN   3          HE21      GLN   3  -3.698   4.348  22.768
   22   HE22  GLN   3          HE22      GLN   3  -2.239   4.227  21.910
   23    H    ILE   4           HN       ILE   4  -7.773   0.632  20.868
   24    HA   ILE   4           HA       ILE   4  -7.232  -1.979  19.682
   25    HB   ILE   4           HB       ILE   4  -9.809  -0.594  20.303
   26   HG12  ILE   4          HG12      ILE   4  -8.500  -2.944  21.683
   27   HG13  ILE   4          HG11      ILE   4  -8.321  -1.281  22.241
   28   HG21  ILE   4          HG21      ILE   4  -9.161  -3.355  19.259
   29   HG22  ILE   4          HG22      ILE   4 -10.222  -2.151  18.529
   30   HG23  ILE   4          HG23      ILE   4 -10.706  -2.965  20.016
   31   HD11  ILE   4          HD11      ILE   4 -10.133  -2.365  23.466
   32   HD12  ILE   4          HD12      ILE   4 -10.930  -2.799  21.954
   33   HD13  ILE   4          HD13      ILE   4 -10.796  -1.105  22.426
   34    H    PHE   5           HN       PHE   5  -7.506  -2.507  17.568
   35    HA   PHE   5           HA       PHE   5  -7.309  -0.525  15.592
   36    HB2  PHE   5           HB2      PHE   5  -8.121  -3.431  15.456
   37    HB3  PHE   5           HB1      PHE   5  -7.937  -2.425  14.019
   38    HD1  PHE   5           HD1      PHE   5  -5.706  -1.236  13.641
   39    HD2  PHE   5           HD2      PHE   5  -6.225  -4.387  16.514
   40    HE1  PHE   5           HE1      PHE   5  -3.252  -1.592  13.693
   41    HE2  PHE   5           HE2      PHE   5  -3.771  -4.742  16.567
   42    HZ   PHE   5           HZ       PHE   5  -2.285  -3.344  15.157
   43    H    THR   6           HN       THR   6  -8.764   0.596  14.425
   44    HA   THR   6           HA       THR   6 -11.492   0.680  15.299
   45    HB   THR   6           HB       THR   6 -10.395   1.963  12.799
   46    HG1  THR   6           HG1      THR   6 -10.027   2.588  15.516
   47   HG21  THR   6          HG21      THR   6 -12.466   2.912  14.792
   48   HG22  THR   6          HG22      THR   6 -12.866   2.014  13.330
   49   HG23  THR   6          HG23      THR   6 -12.111   3.603  13.208
   50    H    VAL   7           HN       VAL   7 -13.349   0.102  14.165
   51    HA   VAL   7           HA       VAL   7 -13.215  -2.269  12.642
   52    HB   VAL   7           HB       VAL   7 -15.434  -0.268  13.093
   53   HG11  VAL   7          HG11      VAL   7 -15.398  -2.839  11.499
   54   HG12  VAL   7          HG12      VAL   7 -16.014  -1.258  11.016
   55   HG13  VAL   7          HG13      VAL   7 -16.885  -2.215  12.214
   56   HG21  VAL   7          HG21      VAL   7 -16.322  -2.136  14.490
   57   HG22  VAL   7          HG22      VAL   7 -14.749  -1.568  15.054
   58   HG23  VAL   7          HG23      VAL   7 -14.868  -3.065  14.128
   59    H    GLN   8           HN       GLN   8 -13.767   1.108  11.693
   60    HA   GLN   8           HA       GLN   8 -14.251   0.716   8.976
   61    HB2  GLN   8           HB2      GLN   8 -12.861   3.001  10.390
   62    HB3  GLN   8           HB1      GLN   8 -13.382   3.049   8.706
   63    HG2  GLN   8           HG2      GLN   8 -15.244   2.446  11.017
   64    HG3  GLN   8           HG1      GLN   8 -15.032   4.057  10.332
   65   HE21  GLN   8          HE21      GLN   8 -17.133   1.540  10.201
   66   HE22  GLN   8          HE22      GLN   8 -17.663   1.677   8.594
   67    H    GLU   9           HN       GLU   9 -11.190   0.995  10.729
   68    HA   GLU   9           HA       GLU   9  -9.534   0.979   8.418
   69    HB2  GLU   9           HB2      GLU   9  -8.879   1.741  10.753
   70    HB3  GLU   9           HB1      GLU   9  -8.749   0.035  11.178
   71    HG2  GLU   9           HG2      GLU   9  -7.286   1.214   8.805
   72    HG3  GLU   9           HG1      GLU   9  -6.585   1.181  10.422
   73    H    LEU  10           HN       LEU  10 -10.789  -1.539  10.542
   74    HA   LEU  10           HA       LEU  10  -9.280  -3.682   9.453
   75    HB2  LEU  10           HB2      LEU  10 -11.889  -3.597  10.967
   76    HB3  LEU  10           HB1      LEU  10 -11.106  -5.103  10.489
   77    HG   LEU  10           HG       LEU  10  -9.712  -2.940  12.092
   78   HD11  LEU  10          HD11      LEU  10 -10.104  -4.439  14.054
   79   HD12  LEU  10          HD12      LEU  10 -11.168  -5.420  13.045
   80   HD13  LEU  10          HD13      LEU  10 -11.587  -3.744  13.401
   81   HD21  LEU  10          HD21      LEU  10  -8.376  -5.157  12.724
   82   HD22  LEU  10          HD22      LEU  10  -8.003  -4.286  11.242
   83   HD23  LEU  10          HD23      LEU  10  -9.016  -5.728  11.182
   84    H    LYS  11           HN       LYS  11 -12.342  -2.208   8.594
   85    HA   LYS  11           HA       LYS  11 -13.293  -4.175   6.838
   86    HB2  LYS  11           HB2      LYS  11 -13.681  -1.191   6.965
   87    HB3  LYS  11           HB1      LYS  11 -14.456  -2.168   5.717
   88    HG2  LYS  11           HG2      LYS  11 -15.461  -3.587   7.505
   89    HG3  LYS  11           HG1      LYS  11 -14.752  -2.517   8.715
   90    HD2  LYS  11           HD2      LYS  11 -16.039  -0.637   7.902
   91    HD3  LYS  11           HD1      LYS  11 -16.635  -1.581   6.536
   92    HE2  LYS  11           HE2      LYS  11 -17.125  -2.457   9.383
   93    HE3  LYS  11           HE1      LYS  11 -18.211  -1.337   8.563
   94    HZ1  LYS  11           HZ1      LYS  11 -17.579  -4.137   7.869
   95    HZ2  LYS  11           HZ2      LYS  11 -18.227  -3.071   6.716
   96    HZ3  LYS  11           HZ3      LYS  11 -19.097  -3.428   8.130
   97    H    GLU  12           HN       GLU  12 -11.072  -1.469   6.296
   98    HA   GLU  12           HA       GLU  12 -10.889  -1.638   3.508
   99    HB2  GLU  12           HB2      GLU  12  -9.934   0.199   4.878
  100    HB3  GLU  12           HB1      GLU  12  -8.692  -0.910   5.460
  101    HG2  GLU  12           HG2      GLU  12  -7.895  -1.253   3.160
  102    HG3  GLU  12           HG1      GLU  12  -9.158  -0.184   2.554
  103    H    ARG  13           HN       ARG  13  -8.697  -3.077   5.939
  104    HA   ARG  13           HA       ARG  13  -7.270  -4.633   4.018
  105    HB2  ARG  13           HB2      ARG  13  -7.453  -4.794   7.030
  106    HB3  ARG  13           HB1      ARG  13  -6.383  -5.808   6.062
  107    HG2  ARG  13           HG2      ARG  13  -5.246  -3.845   5.177
  108    HG3  ARG  13           HG1      ARG  13  -6.376  -2.775   6.008
  109    HD2  ARG  13           HD2      ARG  13  -4.326  -2.920   7.312
  110    HD3  ARG  13           HD1      ARG  13  -5.621  -3.735   8.185
  111    HE   ARG  13           HE       ARG  13  -4.216  -5.594   6.553
  112   HH11  ARG  13          HH21      ARG  13  -3.965  -3.686   9.429
  113   HH12  ARG  13          HH22      ARG  13  -2.870  -4.770  10.219
  114   HH21  ARG  13          HH11      ARG  13  -2.779  -7.021   7.583
  115   HH22  ARG  13          HH12      ARG  13  -2.199  -6.658   9.174
  116    H    ALA  14           HN       ALA  14  -9.982  -5.265   6.176
  117    HA   ALA  14           HA       ALA  14 -10.095  -8.077   5.650
  118    HB1  ALA  14           HB1      ALA  14 -12.268  -6.265   6.719
  119    HB2  ALA  14           HB2      ALA  14 -11.026  -7.036   7.707
  120    HB3  ALA  14           HB3      ALA  14 -12.207  -8.022   6.845
  121    H    LYS  15           HN       LYS  15 -10.844  -5.398   3.785
  122    HA   LYS  15           HA       LYS  15 -13.221  -6.198   2.492
  123    HB2  LYS  15           HB2      LYS  15 -12.235  -3.928   2.301
  124    HB3  LYS  15           HB1      LYS  15 -10.928  -4.602   1.333
  125    HG2  LYS  15           HG2      LYS  15 -12.527  -5.348  -0.357
  126    HG3  LYS  15           HG1      LYS  15 -13.868  -4.767   0.631
  127    HD2  LYS  15           HD2      LYS  15 -12.968  -2.465   0.485
  128    HD3  LYS  15           HD1      LYS  15 -11.652  -3.055  -0.531
  129    HE2  LYS  15           HE2      LYS  15 -13.270  -3.825  -2.206
  130    HE3  LYS  15           HE1      LYS  15 -14.599  -3.273  -1.187
  131    HZ1  LYS  15           HZ1      LYS  15 -14.366  -1.236  -1.989
  132    HZ2  LYS  15           HZ2      LYS  15 -13.164  -1.796  -3.052
  133    HZ3  LYS  15           HZ3      LYS  15 -12.736  -1.187  -1.525
  134    H    VAL  16           HN       VAL  16  -9.797  -6.730   1.638
  135    HA   VAL  16           HA       VAL  16  -8.946  -7.953  -0.192
  136    HB   VAL  16           HB       VAL  16  -9.501 -10.466   0.380
  137   HG11  VAL  16          HG11      VAL  16  -8.111  -8.531   2.254
  138   HG12  VAL  16          HG12      VAL  16  -7.380  -9.458   0.945
  139   HG13  VAL  16          HG13      VAL  16  -7.978 -10.285   2.383
  140   HG21  VAL  16          HG21      VAL  16 -10.461 -10.817   2.552
  141   HG22  VAL  16          HG22      VAL  16 -11.562  -9.726   1.706
  142   HG23  VAL  16          HG23      VAL  16 -10.437  -9.092   2.905
  143    H    PHE  17           HN       PHE  17 -11.388 -10.339   0.070
  144    HA   PHE  17           HA       PHE  17 -12.332  -9.710  -2.652
  145    HB2  PHE  17           HB2      PHE  17 -13.120 -12.011  -2.707
  146    HB3  PHE  17           HB1      PHE  17 -11.423 -11.973  -2.229
  147    HD1  PHE  17           HD2      PHE  17 -10.753 -12.417   0.096
  148    HD2  PHE  17           HD1      PHE  17 -14.863 -12.621  -1.126
  149    HE1  PHE  17           HE2      PHE  17 -11.317 -13.610   2.195
  150    HE2  PHE  17           HE1      PHE  17 -15.429 -13.814   0.973
  151    HZ   PHE  17           HZ       PHE  17 -13.656 -14.309   2.634
  152    H    ALA  18           HN       ALA  18 -14.457  -9.358  -3.109
  153    HA   ALA  18           HA       ALA  18 -16.121  -8.097  -1.319
  154    HB1  ALA  18           HB1      ALA  18 -16.850  -9.734  -3.755
  155    HB2  ALA  18           HB2      ALA  18 -16.571  -7.994  -3.684
  156    HB3  ALA  18           HB3      ALA  18 -17.984  -8.693  -2.894
  157    H    LYS  19           HN       LYS  19 -17.352  -8.699   0.341
  158    HA   LYS  19           HA       LYS  19 -17.777 -11.582   0.749
  159    HB2  LYS  19           HB2      LYS  19 -17.764  -9.356   2.782
  160    HB3  LYS  19           HB1      LYS  19 -18.013 -11.070   3.118
  161    HG2  LYS  19           HG2      LYS  19 -15.676 -11.161   1.643
  162    HG3  LYS  19           HG1      LYS  19 -15.491  -9.629   2.498
  163    HD2  LYS  19           HD2      LYS  19 -16.129 -10.917   4.616
  164    HD3  LYS  19           HD1      LYS  19 -15.894 -12.382   3.661
  165    HE2  LYS  19           HE2      LYS  19 -13.868 -10.323   4.488
  166    HE3  LYS  19           HE1      LYS  19 -13.766 -12.083   4.583
  167    HZ1  LYS  19           HZ1      LYS  19 -12.507 -11.777   2.752
  168    HZ2  LYS  19           HZ2      LYS  19 -13.245 -10.305   2.337
  169    HZ3  LYS  19           HZ3      LYS  19 -14.012 -11.776   1.970
  170    HA   PRO  20           HA       PRO  20 -22.166 -11.274   0.242
  171    HB2  PRO  20           HB2      PRO  20 -22.364 -12.661   2.894
  172    HB3  PRO  20           HB1      PRO  20 -23.113 -13.089   1.343
  173    HG2  PRO  20           HG2      PRO  20 -20.996 -14.417   2.313
  174    HG3  PRO  20           HG1      PRO  20 -21.226 -14.149   0.575
  175    HD2  PRO  20           HD2      PRO  20 -19.285 -12.867   2.429
  176    HD3  PRO  20           HD1      PRO  20 -19.182 -13.148   0.678
  177    H    ILE  21           HN       ILE  21 -23.722  -9.805   0.779
  178    HA   ILE  21           HA       ILE  21 -23.138  -7.865   2.837
  179    HB   ILE  21           HB       ILE  21 -25.215  -6.770   2.013
  180   HG12  ILE  21          HG12      ILE  21 -25.288  -9.115   0.084
  181   HG13  ILE  21          HG11      ILE  21 -26.408  -8.888   1.430
  182   HG21  ILE  21          HG21      ILE  21 -24.339  -6.245  -0.218
  183   HG22  ILE  21          HG22      ILE  21 -23.320  -7.684  -0.174
  184   HG23  ILE  21          HG23      ILE  21 -23.015  -6.353   0.943
  185   HD11  ILE  21          HD11      ILE  21 -27.433  -8.047  -0.617
  186   HD12  ILE  21          HD12      ILE  21 -26.033  -7.020  -0.927
  187   HD13  ILE  21          HD13      ILE  21 -27.078  -6.693   0.457
  188    H    GLY  22           HN       GLY  22 -24.301  -7.465   4.699
  189    HA2  GLY  22           HA2      GLY  22 -25.436  -8.070   6.611
  190    HA3  GLY  22           HA1      GLY  22 -26.732  -8.495   5.498
  191    H    ALA  23           HN       ALA  23 -24.372  -9.672   7.661
  192    HA   ALA  23           HA       ALA  23 -25.403 -12.355   7.469
  193    HB1  ALA  23           HB1      ALA  23 -22.599 -11.729   6.540
  194    HB2  ALA  23           HB2      ALA  23 -23.864 -12.593   5.665
  195    HB3  ALA  23           HB3      ALA  23 -23.093 -13.338   7.065
  196    H    SER  24           HN       SER  24 -24.075 -13.829   8.990
  197    HA   SER  24           HA       SER  24 -23.972 -12.537  11.543
  198    HB2  SER  24           HB2      SER  24 -24.704 -14.907  11.184
  199    HB3  SER  24           HB1      SER  24 -23.032 -15.320  10.814
  200    HG   SER  24           HG       SER  24 -22.987 -13.931  13.040
  201    H    TYR  25           HN       TYR  25 -21.713 -13.005   9.043
  202    HA   TYR  25           HA       TYR  25 -19.323 -13.204  10.577
  203    HB2  TYR  25           HB2      TYR  25 -19.402 -13.824   8.202
  204    HB3  TYR  25           HB1      TYR  25 -19.741 -12.147   7.771
  205    HD1  TYR  25           HD2      TYR  25 -17.215 -14.412   9.287
  206    HD2  TYR  25           HD1      TYR  25 -18.002 -10.505   7.686
  207    HE1  TYR  25           HE2      TYR  25 -14.784 -13.919   9.295
  208    HE2  TYR  25           HE1      TYR  25 -15.572 -10.013   7.693
  209    HH   TYR  25           HH       TYR  25 -13.475 -11.136   9.281
  210    H    GLN  26           HN       GLN  26 -21.255 -10.513   9.387
  211    HA   GLN  26           HA       GLN  26 -19.418  -8.428   9.816
  212    HB2  GLN  26           HB2      GLN  26 -21.677  -8.326   8.626
  213    HB3  GLN  26           HB1      GLN  26 -22.398  -8.192  10.230
  214    HG2  GLN  26           HG2      GLN  26 -22.078  -5.951   9.437
  215    HG3  GLN  26           HG1      GLN  26 -20.834  -6.239  10.652
  216   HE21  GLN  26          HE21      GLN  26 -20.831  -7.450   7.281
  217   HE22  GLN  26          HE22      GLN  26 -19.435  -6.604   6.816
  218    H    GLY  27           HN       GLY  27 -21.259 -10.344  12.024
  219    HA2  GLY  27           HA2      GLY  27 -21.384  -8.583  14.232
  220    HA3  GLY  27           HA1      GLY  27 -21.447 -10.340  14.318
  221    H    ILE  28           HN       ILE  28 -18.763 -10.304  12.816
  222    HA   ILE  28           HA       ILE  28 -17.112 -10.619  15.099
  223    HB   ILE  28           HB       ILE  28 -16.816 -11.741  12.845
  224   HG12  ILE  28          HG12      ILE  28 -14.367 -10.276  13.878
  225   HG13  ILE  28          HG11      ILE  28 -15.080 -11.673  14.685
  226   HG21  ILE  28          HG21      ILE  28 -16.966  -9.324  11.725
  227   HG22  ILE  28          HG22      ILE  28 -15.959 -10.582  11.011
  228   HG23  ILE  28          HG23      ILE  28 -15.226  -9.329  12.010
  229   HD11  ILE  28          HD11      ILE  28 -13.248 -12.407  13.238
  230   HD12  ILE  28          HD12      ILE  28 -13.995 -11.605  11.855
  231   HD13  ILE  28          HD13      ILE  28 -14.784 -12.996  12.599
  232    H    LEU  29           HN       LEU  29 -17.904  -7.903  13.104
  233    HA   LEU  29           HA       LEU  29 -15.652  -6.306  14.093
  234    HB2  LEU  29           HB2      LEU  29 -17.873  -5.722  12.132
  235    HB3  LEU  29           HB1      LEU  29 -16.673  -4.531  12.629
  236    HG   LEU  29           HG       LEU  29 -15.972  -7.224  11.441
  237   HD11  LEU  29          HD11      LEU  29 -16.353  -4.533  10.136
  238   HD12  LEU  29          HD12      LEU  29 -17.109  -6.067   9.706
  239   HD13  LEU  29          HD13      LEU  29 -15.391  -5.812   9.399
  240   HD21  LEU  29          HD21      LEU  29 -14.021  -6.530  12.504
  241   HD22  LEU  29          HD22      LEU  29 -14.408  -4.818  12.338
  242   HD23  LEU  29          HD23      LEU  29 -13.814  -5.729  10.949
  243    H    ASP  30           HN       ASP  30 -19.088  -6.720  14.528
  244    HA   ASP  30           HA       ASP  30 -19.649  -4.314  15.885
  245    HB2  ASP  30           HB2      ASP  30 -21.339  -5.947  14.988
  246    HB3  ASP  30           HB1      ASP  30 -20.977  -6.983  16.368
  247    H    GLN  31           HN       GLN  31 -18.332  -7.383  16.986
  248    HA   GLN  31           HA       GLN  31 -18.604  -6.964  19.764
  249    HB2  GLN  31           HB2      GLN  31 -16.989  -8.740  20.023
  250    HB3  GLN  31           HB1      GLN  31 -18.029  -9.140  18.653
  251    HG2  GLN  31           HG2      GLN  31 -16.201  -7.896  17.239
  252    HG3  GLN  31           HG1      GLN  31 -15.174  -8.184  18.637
  253   HE21  GLN  31          HE21      GLN  31 -14.369  -9.479  16.356
  254   HE22  GLN  31          HE22      GLN  31 -14.742 -11.133  16.434
  255    H    LEU  32           HN       LEU  32 -16.109  -6.005  17.451
  256    HA   LEU  32           HA       LEU  32 -14.176  -5.142  19.306
  257    HB2  LEU  32           HB2      LEU  32 -14.802  -4.487  16.444
  258    HB3  LEU  32           HB1      LEU  32 -13.579  -3.539  17.289
  259    HG   LEU  32           HG       LEU  32 -13.456  -6.551  17.426
  260   HD11  LEU  32          HD11      LEU  32 -11.828  -6.271  15.391
  261   HD12  LEU  32          HD12      LEU  32 -12.771  -4.818  15.063
  262   HD13  LEU  32          HD13      LEU  32 -13.561  -6.391  15.093
  263   HD21  LEU  32          HD21      LEU  32 -11.980  -4.873  18.744
  264   HD22  LEU  32          HD22      LEU  32 -11.213  -4.532  17.194
  265   HD23  LEU  32          HD23      LEU  32 -11.152  -6.159  17.870
  266    H    ASP  33           HN       ASP  33 -16.876  -3.430  17.790
  267    HA   ASP  33           HA       ASP  33 -16.316  -0.889  18.896
  268    HB2  ASP  33           HB2      ASP  33 -18.862  -2.165  17.894
  269    HB3  ASP  33           HB1      ASP  33 -18.797  -0.502  18.474
  270    H    LEU  34           HN       LEU  34 -18.059  -3.696  20.080
  271    HA   LEU  34           HA       LEU  34 -19.289  -2.464  22.299
  272    HB2  LEU  34           HB2      LEU  34 -19.905  -4.714  21.382
  273    HB3  LEU  34           HB1      LEU  34 -18.410  -5.353  22.069
  274    HG   LEU  34           HG       LEU  34 -19.158  -4.566  24.321
  275   HD11  LEU  34          HD11      LEU  34 -21.492  -3.612  22.690
  276   HD12  LEU  34          HD12      LEU  34 -20.697  -2.848  24.066
  277   HD13  LEU  34          HD13      LEU  34 -21.801  -4.194  24.328
  278   HD21  LEU  34          HD21      LEU  34 -20.884  -6.318  24.619
  279   HD22  LEU  34          HD22      LEU  34 -19.538  -6.889  23.633
  280   HD23  LEU  34          HD23      LEU  34 -21.060  -6.427  22.869
  281    H    VAL  35           HN       VAL  35 -16.129  -3.949  21.832
  282    HA   VAL  35           HA       VAL  35 -15.292  -4.098  24.498
  283    HB   VAL  35           HB       VAL  35 -13.692  -3.555  21.984
  284   HG11  VAL  35          HG11      VAL  35 -11.786  -4.468  23.386
  285   HG12  VAL  35          HG12      VAL  35 -12.833  -4.290  24.795
  286   HG13  VAL  35          HG13      VAL  35 -12.353  -2.869  23.869
  287   HG21  VAL  35          HG21      VAL  35 -15.078  -5.729  22.286
  288   HG22  VAL  35          HG22      VAL  35 -13.903  -6.141  23.532
  289   HG23  VAL  35          HG23      VAL  35 -13.375  -5.897  21.867
  290    H    HIS  36           HN       HIS  36 -15.581  -1.375  22.335
  291    HA   HIS  36           HA       HIS  36 -13.983   0.400  23.970
  292    HB2  HIS  36           HB2      HIS  36 -14.118   0.753  21.552
  293    HB3  HIS  36           HB1      HIS  36 -15.865   0.969  21.669
  294    HD2  HIS  36           HD2      HIS  36 -16.616   3.588  22.165
  295    HE1  HIS  36           HE1      HIS  36 -12.869   5.035  23.466
  296    HE2  HIS  36           HE2      HIS  36 -15.262   5.689  22.922
  297    H    GLN  37           HN       GLN  37 -17.444  -0.078  23.302
  298    HA   GLN  37           HA       GLN  37 -18.197   1.938  25.256
  299    HB2  GLN  37           HB2      GLN  37 -19.432   1.367  23.051
  300    HB3  GLN  37           HB1      GLN  37 -20.080  -0.014  23.936
  301    HG2  GLN  37           HG2      GLN  37 -21.668   1.781  24.173
  302    HG3  GLN  37           HG1      GLN  37 -20.844   1.617  25.722
  303   HE21  GLN  37          HE21      GLN  37 -20.862   3.792  26.445
  304   HE22  GLN  37          HE22      GLN  37 -20.154   5.070  25.581
  305    H    ALA  38           HN       ALA  38 -17.271  -1.276  25.375
  306    HA   ALA  38           HA       ALA  38 -19.070  -2.266  27.358
  307    HB1  ALA  38           HB1      ALA  38 -17.129  -3.936  27.727
  308    HB2  ALA  38           HB2      ALA  38 -16.362  -3.123  26.362
  309    HB3  ALA  38           HB3      ALA  38 -17.917  -3.923  26.152
  310    H    LYS  39           HN       LYS  39 -18.831  -2.400  29.576
  311    HA   LYS  39           HA       LYS  39 -17.368  -0.276  30.833
  312    HB2  LYS  39           HB2      LYS  39 -18.707  -2.634  32.164
  313    HB3  LYS  39           HB1      LYS  39 -18.325  -1.069  32.883
  314    HG2  LYS  39           HG2      LYS  39 -20.466  -0.477  32.307
  315    HG3  LYS  39           HG1      LYS  39 -19.836  -0.320  30.669
  316    HD2  LYS  39           HD2      LYS  39 -21.667  -1.760  30.378
  317    HD3  LYS  39           HD1      LYS  39 -20.310  -2.885  30.493
  318    HE2  LYS  39           HE2      LYS  39 -21.852  -3.821  31.994
  319    HE3  LYS  39           HE1      LYS  39 -20.849  -2.845  33.069
  320    HZ1  LYS  39           HZ1      LYS  39 -23.285  -1.758  31.798
  321    HZ2  LYS  39           HZ2      LYS  39 -22.445  -1.168  33.151
  322    HZ3  LYS  39           HZ3      LYS  39 -23.352  -2.600  33.268
  323    H    GLY  40           HN       GLY  40 -15.840  -0.610  32.606
  324    HA2  GLY  40           HA2      GLY  40 -13.523  -1.862  31.939
  325    HA3  GLY  40           HA1      GLY  40 -14.009  -1.611  33.613
  326    H    ARG  41           HN       ARG  41 -15.894  -3.300  34.203
  327    HA   ARG  41           HA       ARG  41 -14.647  -5.844  34.299
  328    HB2  ARG  41           HB2      ARG  41 -17.499  -4.985  34.856
  329    HB3  ARG  41           HB1      ARG  41 -16.851  -6.582  35.228
  330    HG2  ARG  41           HG2      ARG  41 -15.254  -5.675  36.769
  331    HG3  ARG  41           HG1      ARG  41 -15.600  -4.025  36.252
  332    HD2  ARG  41           HD2      ARG  41 -17.683  -5.838  37.476
  333    HD3  ARG  41           HD1      ARG  41 -16.700  -4.727  38.430
  334    HE   ARG  41           HE       ARG  41 -18.950  -4.040  36.798
  335   HH11  ARG  41          HH21      ARG  41 -15.857  -2.980  37.937
  336   HH12  ARG  41          HH22      ARG  41 -16.231  -1.294  37.798
  337   HH21  ARG  41          HH11      ARG  41 -19.446  -1.830  36.615
  338   HH22  ARG  41          HH12      ARG  41 -18.261  -0.644  37.049
  339    H    ASP  42           HN       ASP  42 -17.408  -4.634  32.403
  340    HA   ASP  42           HA       ASP  42 -17.947  -7.091  31.093
  341    HB2  ASP  42           HB2      ASP  42 -19.477  -5.083  31.299
  342    HB3  ASP  42           HB1      ASP  42 -18.529  -4.337  30.011
  343    H    GLN  43           HN       GLN  43 -15.535  -4.684  30.629
  344    HA   GLN  43           HA       GLN  43 -15.003  -5.111  27.871
  345    HB2  GLN  43           HB2      GLN  43 -14.229  -3.128  29.199
  346    HB3  GLN  43           HB1      GLN  43 -13.060  -4.180  29.996
  347    HG2  GLN  43           HG2      GLN  43 -12.051  -4.730  27.828
  348    HG3  GLN  43           HG1      GLN  43 -13.240  -3.720  27.010
  349   HE21  GLN  43          HE21      GLN  43 -11.028  -3.297  29.842
  350   HE22  GLN  43          HE22      GLN  43 -10.457  -1.779  29.341
  351    H    ILE  44           HN       ILE  44 -13.816  -6.578  30.844
  352    HA   ILE  44           HA       ILE  44 -11.747  -8.123  29.686
  353    HB   ILE  44           HB       ILE  44 -13.326  -8.324  32.249
  354   HG12  ILE  44          HG12      ILE  44 -10.911  -8.053  33.121
  355   HG13  ILE  44          HG11      ILE  44 -10.474  -7.638  31.466
  356   HG21  ILE  44          HG21      ILE  44 -12.946 -10.625  31.826
  357   HG22  ILE  44          HG22      ILE  44 -11.575 -10.153  32.831
  358   HG23  ILE  44          HG23      ILE  44 -11.375 -10.321  31.086
  359   HD11  ILE  44          HD11      ILE  44 -11.015  -5.649  32.909
  360   HD12  ILE  44          HD12      ILE  44 -12.665  -6.254  33.039
  361   HD13  ILE  44          HD13      ILE  44 -12.021  -5.774  31.468
  362    H    ALA  45           HN       ALA  45 -15.158  -8.812  30.354
  363    HA   ALA  45           HA       ALA  45 -15.184 -11.513  29.657
  364    HB1  ALA  45           HB1      ALA  45 -17.312  -9.385  29.374
  365    HB2  ALA  45           HB2      ALA  45 -17.113 -10.531  30.699
  366    HB3  ALA  45           HB3      ALA  45 -17.609 -11.102  29.106
  367    H    ALA  46           HN       ALA  46 -15.354  -8.627  27.637
  368    HA   ALA  46           HA       ALA  46 -16.032  -9.872  25.194
  369    HB1  ALA  46           HB1      ALA  46 -15.420  -7.839  24.164
  370    HB2  ALA  46           HB2      ALA  46 -14.265  -7.442  25.437
  371    HB3  ALA  46           HB3      ALA  46 -15.996  -7.370  25.764
  372    H    SER  47           HN       SER  47 -12.967  -9.399  26.865
  373    HA   SER  47           HA       SER  47 -11.202  -9.970  24.799
  374    HB2  SER  47           HB2      SER  47 -10.889 -10.820  27.682
  375    HB3  SER  47           HB1      SER  47  -9.597 -10.572  26.511
  376    HG   SER  47           HG       SER  47 -10.843  -8.367  26.398
  377    H    PHE  48           HN       PHE  48 -12.987 -12.167  26.914
  378    HA   PHE  48           HA       PHE  48 -11.768 -14.571  26.059
  379    HB2  PHE  48           HB2      PHE  48 -14.472 -13.963  27.258
  380    HB3  PHE  48           HB1      PHE  48 -13.946 -15.604  26.889
  381    HD1  PHE  48           HD2      PHE  48 -13.216 -12.583  28.910
  382    HD2  PHE  48           HD1      PHE  48 -12.291 -16.721  28.223
  383    HE1  PHE  48           HE2      PHE  48 -11.931 -12.647  31.030
  384    HE2  PHE  48           HE1      PHE  48 -11.006 -16.785  30.343
  385    HZ   PHE  48           HZ       PHE  48 -10.826 -14.749  31.747
  386    H    GLU  49           HN       GLU  49 -14.595 -12.779  24.879
  387    HA   GLU  49           HA       GLU  49 -15.414 -14.705  22.963
  388    HB2  GLU  49           HB2      GLU  49 -15.879 -11.740  23.263
  389    HB3  GLU  49           HB1      GLU  49 -16.535 -12.642  21.898
  390    HG2  GLU  49           HG2      GLU  49 -18.230 -12.581  23.613
  391    HG3  GLU  49           HG1      GLU  49 -17.594 -14.223  23.558
  392    H    LEU  50           HN       LEU  50 -13.481 -11.731  22.633
  393    HA   LEU  50           HA       LEU  50 -12.930 -12.047  19.886
  394    HB2  LEU  50           HB2      LEU  50 -11.725 -10.481  22.134
  395    HB3  LEU  50           HB1      LEU  50 -10.822 -10.592  20.626
  396    HG   LEU  50           HG       LEU  50 -12.365  -8.597  20.785
  397   HD11  LEU  50          HD11      LEU  50 -13.409 -10.291  18.545
  398   HD12  LEU  50          HD12      LEU  50 -11.676 -10.000  18.598
  399   HD13  LEU  50          HD13      LEU  50 -12.796  -8.643  18.510
  400   HD21  LEU  50          HD21      LEU  50 -14.714  -8.853  20.813
  401   HD22  LEU  50          HD22      LEU  50 -14.169 -10.067  21.964
  402   HD23  LEU  50          HD23      LEU  50 -14.629 -10.547  20.336
  403    H    ASN  51           HN       ASN  51 -11.186 -13.121  22.763
  404    HA   ASN  51           HA       ASN  51  -8.903 -14.097  21.460
  405    HB2  ASN  51           HB2      ASN  51 -10.282 -14.978  24.000
  406    HB3  ASN  51           HB1      ASN  51  -8.715 -15.594  23.481
  407   HD21  ASN  51          HD21      ASN  51  -8.888 -14.162  25.910
  408   HD22  ASN  51          HD22      ASN  51  -8.123 -12.659  25.724
  409    H    LYS  52           HN       LYS  52 -11.893 -15.796  22.408
  410    HA   LYS  52           HA       LYS  52 -11.157 -18.280  21.241
  411    HB2  LYS  52           HB2      LYS  52 -13.832 -17.115  22.001
  412    HB3  LYS  52           HB1      LYS  52 -13.628 -18.763  21.405
  413    HG2  LYS  52           HG2      LYS  52 -11.991 -19.181  23.248
  414    HG3  LYS  52           HG1      LYS  52 -12.341 -17.572  23.880
  415    HD2  LYS  52           HD2      LYS  52 -14.504 -19.634  23.408
  416    HD3  LYS  52           HD1      LYS  52 -13.648 -19.504  24.943
  417    HE2  LYS  52           HE2      LYS  52 -14.318 -17.019  24.923
  418    HE3  LYS  52           HE1      LYS  52 -15.430 -17.447  23.622
  419    HZ1  LYS  52           HZ1      LYS  52 -16.767 -17.786  25.393
  420    HZ2  LYS  52           HZ2      LYS  52 -15.492 -18.185  26.443
  421    HZ3  LYS  52           HZ3      LYS  52 -16.061 -19.327  25.320
  422    H    LYS  53           HN       LYS  53 -13.169 -15.585  20.086
  423    HA   LYS  53           HA       LYS  53 -13.948 -16.759  17.646
  424    HB2  LYS  53           HB2      LYS  53 -13.685 -13.893  18.556
  425    HB3  LYS  53           HB1      LYS  53 -14.252 -14.309  16.940
  426    HG2  LYS  53           HG2      LYS  53 -16.085 -15.603  17.871
  427    HG3  LYS  53           HG1      LYS  53 -15.488 -15.333  19.508
  428    HD2  LYS  53           HD2      LYS  53 -15.758 -12.867  19.135
  429    HD3  LYS  53           HD1      LYS  53 -16.511 -13.229  17.581
  430    HE2  LYS  53           HE2      LYS  53 -17.492 -14.303  20.230
  431    HE3  LYS  53           HE1      LYS  53 -18.157 -12.873  19.443
  432    HZ1  LYS  53           HZ1      LYS  53 -19.500 -14.706  18.828
  433    HZ2  LYS  53           HZ2      LYS  53 -18.152 -15.659  18.426
  434    HZ3  LYS  53           HZ3      LYS  53 -18.565 -14.318  17.467
  435    H    ILE  54           HN       ILE  54 -11.235 -14.582  18.418
  436    HA   ILE  54           HA       ILE  54 -10.206 -14.492  15.775
  437    HB   ILE  54           HB       ILE  54  -8.930 -13.990  18.472
  438   HG12  ILE  54          HG12      ILE  54  -9.692 -12.067  16.258
  439   HG13  ILE  54          HG11      ILE  54 -10.764 -12.460  17.602
  440   HG21  ILE  54          HG21      ILE  54  -7.161 -12.806  17.036
  441   HG22  ILE  54          HG22      ILE  54  -7.807 -13.723  15.676
  442   HG23  ILE  54          HG23      ILE  54  -7.102 -14.570  17.052
  443   HD11  ILE  54          HD11      ILE  54  -9.366 -10.373  17.942
  444   HD12  ILE  54          HD12      ILE  54  -7.946 -11.417  17.974
  445   HD13  ILE  54          HD13      ILE  54  -9.193 -11.588  19.209
  446    H    ASN  55           HN       ASN  55  -9.406 -16.497  18.600
  447    HA   ASN  55           HA       ASN  55  -7.303 -17.935  17.369
  448    HB2  ASN  55           HB2      ASN  55  -9.116 -18.526  19.707
  449    HB3  ASN  55           HB1      ASN  55  -7.868 -19.656  19.187
  450   HD21  ASN  55          HD21      ASN  55  -5.845 -17.751  18.435
  451   HD22  ASN  55          HD22      ASN  55  -5.323 -16.960  19.843
  452    H    ASP  56           HN       ASP  56 -10.774 -18.573  17.684
  453    HA   ASP  56           HA       ASP  56 -10.758 -21.120  16.452
  454    HB2  ASP  56           HB2      ASP  56 -12.923 -19.046  16.807
  455    HB3  ASP  56           HB1      ASP  56 -13.217 -20.615  16.061
  456    H    TYR  57           HN       TYR  57 -11.173 -17.848  15.186
  457    HA   TYR  57           HA       TYR  57 -11.949 -18.445  12.580
  458    HB2  TYR  57           HB2      TYR  57 -11.866 -16.157  13.560
  459    HB3  TYR  57           HB1      TYR  57 -10.105 -16.204  13.446
  460    HD1  TYR  57           HD1      TYR  57 -13.161 -16.741  11.339
  461    HD2  TYR  57           HD2      TYR  57  -9.076 -15.418  11.486
  462    HE1  TYR  57           HE1      TYR  57 -13.309 -16.023   8.970
  463    HE2  TYR  57           HE2      TYR  57  -9.227 -14.701   9.117
  464    HH   TYR  57           HH       TYR  57 -11.380 -13.958   7.553
  465    H    ILE  58           HN       ILE  58  -8.715 -18.348  14.021
  466    HA   ILE  58           HA       ILE  58  -7.235 -18.674  11.639
  467    HB   ILE  58           HB       ILE  58  -6.635 -19.462  14.495
  468   HG12  ILE  58          HG12      ILE  58  -5.476 -17.207  12.843
  469   HG13  ILE  58          HG11      ILE  58  -6.946 -16.994  13.799
  470   HG21  ILE  58          HG21      ILE  58  -4.220 -19.430  13.591
  471   HG22  ILE  58          HG22      ILE  58  -4.946 -19.559  11.988
  472   HG23  ILE  58          HG23      ILE  58  -5.204 -20.834  13.178
  473   HD11  ILE  58          HD11      ILE  58  -5.161 -16.285  15.209
  474   HD12  ILE  58          HD12      ILE  58  -4.161 -17.668  14.771
  475   HD13  ILE  58          HD13      ILE  58  -5.583 -17.893  15.788
  476    H    ALA  59           HN       ALA  59  -8.531 -21.039  13.955
  477    HA   ALA  59           HA       ALA  59  -7.479 -23.340  12.691
  478    HB1  ALA  59           HB1      ALA  59  -8.330 -23.350  15.003
  479    HB2  ALA  59           HB2      ALA  59  -9.118 -24.584  14.020
  480    HB3  ALA  59           HB3      ALA  59  -9.965 -23.084  14.399
  481    H    GLU  60           HN       GLU  60 -10.405 -21.465  12.196
  482    HA   GLU  60           HA       GLU  60 -11.733 -23.341  10.517
  483    HB2  GLU  60           HB2      GLU  60 -12.013 -20.350  10.848
  484    HB3  GLU  60           HB1      GLU  60 -13.061 -21.313   9.805
  485    HG2  GLU  60           HG2      GLU  60 -13.782 -22.661  11.696
  486    HG3  GLU  60           HG1      GLU  60 -12.649 -21.834  12.761
  487    H    HIS  61           HN       HIS  61  -9.577 -20.601   9.889
  488    HA   HIS  61           HA       HIS  61  -9.062 -21.680   7.199
  489    HB2  HIS  61           HB2      HIS  61  -9.675 -18.763   7.684
  490    HB3  HIS  61           HB1      HIS  61  -9.341 -19.544   6.138
  491    HD2  HIS  61           HD2      HIS  61 -11.495 -21.098   5.093
  492    HE1  HIS  61           HE1      HIS  61 -14.295 -19.981   8.047
  493    HE2  HIS  61           HE2      HIS  61 -14.004 -21.152   5.814
  494    HA   PRO  62           HA       PRO  62  -5.264 -20.187   9.436
  495    HB2  PRO  62           HB2      PRO  62  -3.925 -22.572   9.514
  496    HB3  PRO  62           HB1      PRO  62  -5.082 -22.075  10.763
  497    HG2  PRO  62           HG2      PRO  62  -5.435 -23.996   8.518
  498    HG3  PRO  62           HG1      PRO  62  -6.103 -24.041  10.158
  499    HD2  PRO  62           HD2      PRO  62  -7.512 -23.222   7.894
  500    HD3  PRO  62           HD1      PRO  62  -7.950 -22.795   9.561
  501    H    THR  63           HN       THR  63  -5.943 -21.950   6.543
  502    HA   THR  63           HA       THR  63  -3.315 -21.759   5.392
  503    HB   THR  63           HB       THR  63  -6.008 -22.361   4.149
  504    HG1  THR  63           HG1      THR  63  -5.609 -24.280   4.856
  505   HG21  THR  63          HG21      THR  63  -4.610 -21.552   2.393
  506   HG22  THR  63          HG22      THR  63  -4.518 -23.312   2.307
  507   HG23  THR  63          HG23      THR  63  -3.198 -22.395   3.035
  508    H    SER  64           HN       SER  64  -5.972 -19.639   5.757
  509    HA   SER  64           HA       SER  64  -5.787 -18.046   3.462
  510    HB2  SER  64           HB2      SER  64  -6.495 -17.222   6.287
  511    HB3  SER  64           HB1      SER  64  -6.818 -16.276   4.837
  512    HG   SER  64           HG       SER  64  -8.068 -18.060   4.086
  513    H    GLY  65           HN       GLY  65  -4.004 -17.895   6.521
  514    HA2  GLY  65           HA2      GLY  65  -1.874 -17.055   6.916
  515    HA3  GLY  65           HA1      GLY  65  -1.789 -16.562   5.227
  516    H    ARG  66           HN       ARG  66  -4.457 -15.185   5.549
  517    HA   ARG  66           HA       ARG  66  -3.416 -12.601   6.251
  518    HB2  ARG  66           HB2      ARG  66  -6.262 -13.451   5.664
  519    HB3  ARG  66           HB1      ARG  66  -5.661 -11.792   5.708
  520    HG2  ARG  66           HG2      ARG  66  -4.643 -13.951   3.837
  521    HG3  ARG  66           HG1      ARG  66  -5.786 -12.686   3.385
  522    HD2  ARG  66           HD2      ARG  66  -3.821 -11.651   2.725
  523    HD3  ARG  66           HD1      ARG  66  -3.853 -11.113   4.402
  524    HE   ARG  66           HE       ARG  66  -2.490 -13.640   3.982
  525   HH11  ARG  66          HH21      ARG  66  -2.295 -10.190   4.074
  526   HH12  ARG  66          HH22      ARG  66  -0.593 -10.154   4.396
  527   HH21  ARG  66          HH11      ARG  66  -0.256 -13.606   4.407
  528   HH22  ARG  66          HH12      ARG  66   0.561 -12.089   4.585
  529    H    ASN  67           HN       ASN  67  -4.846 -15.145   7.988
  530    HA   ASN  67           HA       ASN  67  -6.229 -13.675   9.992
  531    HB2  ASN  67           HB2      ASN  67  -4.954 -16.402  10.257
  532    HB3  ASN  67           HB1      ASN  67  -6.259 -15.734  11.235
  533   HD21  ASN  67          HD21      ASN  67  -6.755 -14.658   8.099
  534   HD22  ASN  67          HD22      ASN  67  -7.826 -15.866   7.577
  535    H    GLN  68           HN       GLN  68  -2.896 -14.250   9.380
  536    HA   GLN  68           HA       GLN  68  -1.737 -14.232  11.892
  537    HB2  GLN  68           HB2      GLN  68  -0.473 -14.489   9.786
  538    HB3  GLN  68           HB1      GLN  68  -0.742 -12.783   9.425
  539    HG2  GLN  68           HG2      GLN  68   0.496 -12.109  11.396
  540    HG3  GLN  68           HG1      GLN  68   0.638 -13.783  11.930
  541   HE21  GLN  68          HE21      GLN  68   3.061 -12.744  11.746
  542   HE22  GLN  68          HE22      GLN  68   3.849 -13.128  10.291
  543    H    ALA  69           HN       ALA  69  -2.942 -11.498   9.987
  544    HA   ALA  69           HA       ALA  69  -2.049  -9.478  11.803
  545    HB1  ALA  69           HB1      ALA  69  -3.414  -7.971  10.510
  546    HB2  ALA  69           HB2      ALA  69  -4.343  -9.310   9.837
  547    HB3  ALA  69           HB3      ALA  69  -2.650  -9.100   9.389
  548    H    LEU  70           HN       LEU  70  -5.019 -11.343  11.434
  549    HA   LEU  70           HA       LEU  70  -6.609  -9.894  13.244
  550    HB2  LEU  70           HB2      LEU  70  -7.317 -11.737  11.591
  551    HB3  LEU  70           HB1      LEU  70  -6.812 -12.873  12.841
  552    HG   LEU  70           HG       LEU  70  -8.314 -11.516  14.442
  553   HD11  LEU  70          HD11      LEU  70  -8.837  -9.538  13.260
  554   HD12  LEU  70          HD12      LEU  70 -10.299 -10.502  13.091
  555   HD13  LEU  70          HD13      LEU  70  -9.149 -10.406  11.758
  556   HD21  LEU  70          HD21      LEU  70  -8.853 -13.781  13.580
  557   HD22  LEU  70          HD22      LEU  70  -9.612 -13.049  12.167
  558   HD23  LEU  70          HD23      LEU  70 -10.301 -12.793  13.769
  559    H    THR  71           HN       THR  71  -4.374 -12.583  13.712
  560    HA   THR  71           HA       THR  71  -4.940 -13.178  16.383
  561    HB   THR  71           HB       THR  71  -2.205 -13.236  15.094
  562    HG1  THR  71           HG1      THR  71  -2.796 -15.103  14.180
  563   HG21  THR  71          HG21      THR  71  -1.895 -15.162  16.638
  564   HG22  THR  71          HG22      THR  71  -3.490 -14.842  17.321
  565   HG23  THR  71          HG23      THR  71  -2.199 -13.654  17.500
  566    H    GLN  72           HN       GLN  72  -3.350 -10.451  14.971
  567    HA   GLN  72           HA       GLN  72  -1.774  -9.612  17.159
  568    HB2  GLN  72           HB2      GLN  72  -1.639  -8.712  14.819
  569    HB3  GLN  72           HB1      GLN  72  -3.142  -7.841  15.126
  570    HG2  GLN  72           HG2      GLN  72  -2.094  -6.675  17.018
  571    HG3  GLN  72           HG1      GLN  72  -0.593  -7.554  16.736
  572   HE21  GLN  72          HE21      GLN  72  -1.904  -7.020  13.715
  573   HE22  GLN  72          HE22      GLN  72  -1.114  -5.569  13.327
  574    H    LEU  73           HN       LEU  73  -5.182  -9.262  16.422
  575    HA   LEU  73           HA       LEU  73  -5.795  -7.228  18.286
  576    HB2  LEU  73           HB2      LEU  73  -7.403  -9.378  16.924
  577    HB3  LEU  73           HB1      LEU  73  -8.142  -8.368  18.165
  578    HG   LEU  73           HG       LEU  73  -7.506  -6.345  16.913
  579   HD11  LEU  73          HD11      LEU  73  -6.280  -8.386  15.049
  580   HD12  LEU  73          HD12      LEU  73  -5.505  -6.991  15.799
  581   HD13  LEU  73          HD13      LEU  73  -6.687  -6.755  14.512
  582   HD21  LEU  73          HD21      LEU  73  -9.680  -7.182  16.394
  583   HD22  LEU  73          HD22      LEU  73  -9.023  -8.491  15.414
  584   HD23  LEU  73          HD23      LEU  73  -8.929  -6.827  14.840
  585    H    LYS  74           HN       LYS  74  -5.619 -10.749  18.563
  586    HA   LYS  74           HA       LYS  74  -6.795 -11.101  21.057
  587    HB2  LYS  74           HB2      LYS  74  -6.041 -12.939  19.558
  588    HB3  LYS  74           HB1      LYS  74  -4.371 -12.563  19.981
  589    HG2  LYS  74           HG2      LYS  74  -4.841 -13.033  22.345
  590    HG3  LYS  74           HG1      LYS  74  -6.529 -13.358  21.955
  591    HD2  LYS  74           HD2      LYS  74  -5.839 -15.224  20.499
  592    HD3  LYS  74           HD1      LYS  74  -4.149 -14.906  20.892
  593    HE2  LYS  74           HE2      LYS  74  -4.620 -15.338  23.276
  594    HE3  LYS  74           HE1      LYS  74  -6.309 -15.661  22.884
  595    HZ1  LYS  74           HZ1      LYS  74  -5.781 -17.728  22.351
  596    HZ2  LYS  74           HZ2      LYS  74  -4.172 -17.439  22.816
  597    HZ3  LYS  74           HZ3      LYS  74  -4.651 -17.192  21.204
  598    H    GLU  75           HN       GLU  75  -3.332 -10.585  20.353
  599    HA   GLU  75           HA       GLU  75  -2.597 -10.329  23.098
  600    HB2  GLU  75           HB2      GLU  75  -0.453  -9.450  22.175
  601    HB3  GLU  75           HB1      GLU  75  -0.938 -10.990  21.466
  602    HG2  GLU  75           HG2      GLU  75  -1.880  -9.820  19.523
  603    HG3  GLU  75           HG1      GLU  75  -1.441  -8.267  20.233
  604    H    GLN  76           HN       GLN  76  -3.786  -8.124  20.680
  605    HA   GLN  76           HA       GLN  76  -2.905  -5.690  21.793
  606    HB2  GLN  76           HB2      GLN  76  -3.931  -5.998  19.514
  607    HB3  GLN  76           HB1      GLN  76  -5.497  -6.153  20.312
  608    HG2  GLN  76           HG2      GLN  76  -5.233  -3.925  21.306
  609    HG3  GLN  76           HG1      GLN  76  -3.650  -3.762  20.548
  610   HE21  GLN  76          HE21      GLN  76  -3.748  -2.533  18.672
  611   HE22  GLN  76          HE22      GLN  76  -5.068  -2.480  17.607
  612    H    VAL  77           HN       VAL  77  -5.963  -7.480  22.248
  613    HA   VAL  77           HA       VAL  77  -7.151  -5.680  24.044
  614    HB   VAL  77           HB       VAL  77  -7.462  -8.679  23.765
  615   HG11  VAL  77          HG11      VAL  77  -8.979  -6.629  25.387
  616   HG12  VAL  77          HG12      VAL  77  -8.286  -8.155  25.934
  617   HG13  VAL  77          HG13      VAL  77  -9.711  -8.157  24.895
  618   HG21  VAL  77          HG21      VAL  77  -9.606  -7.915  22.626
  619   HG22  VAL  77          HG22      VAL  77  -8.120  -7.547  21.749
  620   HG23  VAL  77          HG23      VAL  77  -8.945  -6.280  22.657
  621    H    THR  78           HN       THR  78  -5.146  -8.565  24.646
  622    HA   THR  78           HA       THR  78  -5.209  -8.440  27.465
  623    HB   THR  78           HB       THR  78  -3.112  -9.805  27.323
  624    HG1  THR  78           HG1      THR  78  -3.511  -9.669  24.534
  625   HG21  THR  78          HG21      THR  78  -4.196 -11.704  26.162
  626   HG22  THR  78          HG22      THR  78  -5.386 -10.595  25.481
  627   HG23  THR  78          HG23      THR  78  -5.326 -10.862  27.223
  628    H    SER  79           HN       SER  79  -2.928  -7.080  25.100
  629    HA   SER  79           HA       SER  79  -1.148  -5.950  26.989
  630    HB2  SER  79           HB2      SER  79  -0.364  -6.203  24.756
  631    HB3  SER  79           HB1      SER  79  -1.735  -5.314  24.096
  632    HG   SER  79           HG       SER  79   0.597  -4.356  24.809
  633    H    ALA  80           HN       ALA  80  -3.959  -4.629  25.271
  634    HA   ALA  80           HA       ALA  80  -3.769  -1.983  26.178
  635    HB1  ALA  80           HB1      ALA  80  -5.284  -2.674  24.374
  636    HB2  ALA  80           HB2      ALA  80  -6.161  -1.821  25.644
  637    HB3  ALA  80           HB3      ALA  80  -6.256  -3.579  25.536
  638    H    LEU  81           HN       LEU  81  -5.538  -4.741  27.545
  639    HA   LEU  81           HA       LEU  81  -6.556  -3.337  29.792
  640    HB2  LEU  81           HB2      LEU  81  -6.060  -6.300  29.384
  641    HB3  LEU  81           HB1      LEU  81  -7.000  -5.604  30.705
  642    HG   LEU  81           HG       LEU  81  -7.631  -5.042  27.795
  643   HD11  LEU  81          HD11      LEU  81  -7.773  -7.482  28.224
  644   HD12  LEU  81          HD12      LEU  81  -9.371  -6.782  27.962
  645   HD13  LEU  81          HD13      LEU  81  -8.837  -7.172  29.597
  646   HD21  LEU  81          HD21      LEU  81  -8.739  -3.443  29.140
  647   HD22  LEU  81          HD22      LEU  81  -9.037  -4.598  30.438
  648   HD23  LEU  81          HD23      LEU  81  -9.958  -4.698  28.939
  649    H    GLY  82           HN       GLY  82  -3.527  -4.886  29.109
  650    HA2  GLY  82           HA2      GLY  82  -1.512  -4.622  30.256
  651    HA3  GLY  82           HA1      GLY  82  -2.385  -3.832  31.567
  652    H    LEU  83           HN       LEU  83  -3.885  -6.697  30.582
  653    HA   LEU  83           HA       LEU  83  -3.429  -7.971  33.074
  654    HB2  LEU  83           HB2      LEU  83  -5.473  -8.415  31.854
  655    HB3  LEU  83           HB1      LEU  83  -4.566  -9.021  30.470
  656    HG   LEU  83           HG       LEU  83  -3.729 -10.894  31.790
  657   HD11  LEU  83          HD11      LEU  83  -4.864 -11.165  34.135
  658   HD12  LEU  83          HD12      LEU  83  -5.101  -9.419  34.034
  659   HD13  LEU  83          HD13      LEU  83  -3.472 -10.093  33.987
  660   HD21  LEU  83          HD21      LEU  83  -6.691 -10.695  32.326
  661   HD22  LEU  83          HD22      LEU  83  -5.742 -12.136  31.957
  662   HD23  LEU  83          HD23      LEU  83  -6.042 -10.931  30.702
  663    H    GLU  84           HN       GLU  84  -2.134  -8.507  29.816
  664    HA   GLU  84           HA       GLU  84  -0.334  -9.718  29.066
  665    HB2  GLU  84           HB2      GLU  84   0.851  -8.117  30.538
  666    HB3  GLU  84           HB1      GLU  84   0.683  -9.253  31.877
  667    HG2  GLU  84           HG2      GLU  84   1.976 -10.932  30.662
  668    HG3  GLU  84           HG1      GLU  84   2.078  -9.872  29.258
  669    H    HIS  85           HN       HIS  85  -1.310 -11.714  28.740
  670    HA   HIS  85           HA       HIS  85  -1.823 -13.584  30.828
  671    HB2  HIS  85           HB2      HIS  85  -2.192 -15.188  29.012
  672    HB3  HIS  85           HB1      HIS  85  -2.987 -13.655  28.653
  673    HD2  HIS  85           HD2      HIS  85  -1.618 -12.062  26.645
  674    HE1  HIS  85           HE1      HIS  85   0.794 -15.251  25.289
  675    HE2  HIS  85           HE2      HIS  85   0.008 -12.891  24.777
  676    H    HIS  86           HN       HIS  86  -0.490 -14.957  31.828
  677    HA   HIS  86           HA       HIS  86   2.313 -14.887  31.416
  678    HB2  HIS  86           HB2      HIS  86   1.228 -15.452  33.582
  679    HB3  HIS  86           HB1      HIS  86   0.686 -16.979  32.882
  680    HD2  HIS  86           HD2      HIS  86   4.101 -15.265  33.913
  681    HE1  HIS  86           HE1      HIS  86   4.784 -19.388  33.318
  682    HE2  HIS  86           HE2      HIS  86   5.833 -17.210  34.095
  683    H    HIS  87           HN       HIS  87  -0.164 -17.296  30.576
  684    HA   HIS  87           HA       HIS  87   1.277 -18.142  28.256
  685    HB2  HIS  87           HB2      HIS  87   2.622 -19.291  29.979
  686    HB3  HIS  87           HB1      HIS  87   1.163 -20.082  30.577
  687    HD2  HIS  87           HD2      HIS  87   3.607 -20.317  27.515
  688    HE1  HIS  87           HE1      HIS  87   0.795 -23.449  27.186
  689    HE2  HIS  87           HE2      HIS  87   2.937 -22.485  26.221
  690    H    HIS  88           HN       HIS  88  -1.193 -18.886  30.671
  691    HA   HIS  88           HA       HIS  88  -3.130 -19.372  28.536
  692    HB2  HIS  88           HB2      HIS  88  -3.844 -21.524  29.458
  693    HB3  HIS  88           HB1      HIS  88  -2.151 -21.600  28.968
  694    HD2  HIS  88           HD2      HIS  88  -4.113 -22.680  31.939
  695    HE1  HIS  88           HE1      HIS  88  -0.363 -21.588  33.544
  696    HE2  HIS  88           HE2      HIS  88  -2.543 -22.800  34.023
  697    H    HIS  89           HN       HIS  89  -5.351 -19.656  29.461
  698    HA   HIS  89           HA       HIS  89  -5.750 -18.660  32.172
  699    HB2  HIS  89           HB2      HIS  89  -7.220 -16.800  31.363
  700    HB3  HIS  89           HB1      HIS  89  -5.512 -16.565  30.989
  701    HD2  HIS  89           HD2      HIS  89  -4.893 -17.453  28.184
  702    HE1  HIS  89           HE1      HIS  89  -8.819 -16.589  26.894
  703    HE2  HIS  89           HE2      HIS  89  -6.452 -17.090  26.121
  704    H    HIS  90           HN       HIS  90  -7.847 -19.016  32.951
  705    HA   HIS  90           HA       HIS  90  -9.277 -21.138  31.589
  706    HB2  HIS  90           HB2      HIS  90  -8.900 -21.065  34.081
  707    HB3  HIS  90           HB1      HIS  90 -10.037 -19.719  34.147
  708    HD2  HIS  90           HD2      HIS  90 -10.092 -23.587  33.352
  709    HE1  HIS  90           HE1      HIS  90 -14.074 -22.246  33.760
  710    HE2  HIS  90           HE2      HIS  90 -12.603 -24.294  33.465
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  -6.373   5.212  21.515
    2    H2   MET   1           HT2      MET   1  -5.725   6.540  22.355
    3    H3   MET   1           HT3      MET   1  -7.399   6.248  22.382
    4    HA   MET   1           HA       MET   1  -5.242   4.883  23.824
    5    HB2  MET   1           HB2      MET   1  -8.073   5.766  24.461
    6    HB3  MET   1           HB1      MET   1  -7.024   4.918  25.598
    7    HG2  MET   1           HG2      MET   1  -6.768   7.246  26.082
    8    HG3  MET   1           HG1      MET   1  -5.316   6.773  25.203
    9    HE1  MET   1           HE1      MET   1  -8.047   9.226  25.568
   10    HE2  MET   1           HE2      MET   1  -8.978   7.987  24.729
   11    HE3  MET   1           HE3      MET   1  -8.697   9.544  23.954
   12    H    GLY   2           HN       GLY   2  -5.190   3.084  22.266
   13    HA2  GLY   2           HA2      GLY   2  -6.508   0.809  23.156
   14    HA3  GLY   2           HA1      GLY   2  -7.459   1.426  21.809
   15    H    GLN   3           HN       GLN   3  -5.280  -0.826  22.473
   16    HA   GLN   3           HA       GLN   3  -3.557  -0.434  20.119
   17    HB2  GLN   3           HB2      GLN   3  -3.527  -2.470  22.354
   18    HB3  GLN   3           HB1      GLN   3  -2.425  -2.501  20.977
   19    HG2  GLN   3           HG2      GLN   3  -1.624  -0.245  21.555
   20    HG3  GLN   3           HG1      GLN   3  -2.734  -0.198  22.926
   21   HE21  GLN   3          HE21      GLN   3  -0.362   0.126  23.931
   22   HE22  GLN   3          HE22      GLN   3   0.373  -1.302  24.479
   23    H    ILE   4           HN       ILE   4  -6.576  -1.429  20.488
   24    HA   ILE   4           HA       ILE   4  -6.468  -3.945  19.050
   25    HB   ILE   4           HB       ILE   4  -8.759  -2.290  19.954
   26   HG12  ILE   4          HG12      ILE   4  -7.818  -4.962  20.977
   27   HG13  ILE   4          HG11      ILE   4  -7.292  -3.437  21.689
   28   HG21  ILE   4          HG21      ILE   4  -9.561  -3.513  18.091
   29   HG22  ILE   4          HG22      ILE   4 -10.014  -4.490  19.488
   30   HG23  ILE   4          HG23      ILE   4  -8.605  -4.924  18.527
   31   HD11  ILE   4          HD11      ILE   4 -10.160  -4.397  21.451
   32   HD12  ILE   4          HD12      ILE   4  -9.667  -2.833  22.101
   33   HD13  ILE   4          HD13      ILE   4  -9.210  -4.319  22.935
   34    H    PHE   5           HN       PHE   5  -7.570  -4.284  17.010
   35    HA   PHE   5           HA       PHE   5  -6.890  -2.289  15.081
   36    HB2  PHE   5           HB2      PHE   5  -8.392  -4.903  14.988
   37    HB3  PHE   5           HB1      PHE   5  -8.296  -3.868  13.563
   38    HD1  PHE   5           HD1      PHE   5  -6.205  -5.604  16.125
   39    HD2  PHE   5           HD2      PHE   5  -6.350  -3.825  12.222
   40    HE1  PHE   5           HE1      PHE   5  -3.929  -6.463  15.651
   41    HE2  PHE   5           HE2      PHE   5  -4.076  -4.685  11.743
   42    HZ   PHE   5           HZ       PHE   5  -2.863  -6.003  13.459
   43    H    THR   6           HN       THR   6  -8.066  -0.696  14.214
   44    HA   THR   6           HA       THR   6 -10.675  -0.116  15.356
   45    HB   THR   6           HB       THR   6 -10.467   1.926  13.826
   46    HG1  THR   6           HG1      THR   6  -7.900   1.929  13.525
   47   HG21  THR   6          HG21      THR   6  -8.570   2.867  15.265
   48   HG22  THR   6          HG22      THR   6  -8.465   1.263  15.988
   49   HG23  THR   6          HG23      THR   6  -9.954   2.199  16.130
   50    H    VAL   7           HN       VAL   7 -12.501   0.483  13.969
   51    HA   VAL   7           HA       VAL   7 -13.151  -1.583  12.138
   52    HB   VAL   7           HB       VAL   7 -15.204  -0.305  11.734
   53   HG11  VAL   7          HG11      VAL   7 -16.026  -0.295  14.016
   54   HG12  VAL   7          HG12      VAL   7 -14.386  -0.143  14.649
   55   HG13  VAL   7          HG13      VAL   7 -14.887  -1.632  13.847
   56   HG21  VAL   7          HG21      VAL   7 -13.682   1.856  13.217
   57   HG22  VAL   7          HG22      VAL   7 -15.431   1.894  12.999
   58   HG23  VAL   7          HG23      VAL   7 -14.368   1.944  11.594
   59    H    GLN   8           HN       GLN   8 -12.128   1.778  11.723
   60    HA   GLN   8           HA       GLN   8 -12.545   2.072   8.990
   61    HB2  GLN   8           HB2      GLN   8 -10.358   3.191  10.756
   62    HB3  GLN   8           HB1      GLN   8 -10.642   3.714   9.095
   63    HG2  GLN   8           HG2      GLN   8 -12.929   4.386   9.673
   64    HG3  GLN   8           HG1      GLN   8 -12.696   3.813  11.323
   65   HE21  GLN   8          HE21      GLN   8 -13.335   6.345  11.480
   66   HE22  GLN   8          HE22      GLN   8 -12.003   7.388  11.603
   67    H    GLU   9           HN       GLU   9  -9.805   0.624  10.706
   68    HA   GLU   9           HA       GLU   9  -8.193   0.187   8.411
   69    HB2  GLU   9           HB2      GLU   9  -8.257  -1.158  11.120
   70    HB3  GLU   9           HB1      GLU   9  -7.034  -1.492   9.892
   71    HG2  GLU   9           HG2      GLU   9  -6.365   0.865   9.881
   72    HG3  GLU   9           HG1      GLU   9  -7.628   1.247  11.050
   73    H    LEU  10           HN       LEU  10 -10.571  -1.821  10.108
   74    HA   LEU  10           HA       LEU  10 -10.184  -4.153   8.548
   75    HB2  LEU  10           HB2      LEU  10 -12.546  -3.180  10.165
   76    HB3  LEU  10           HB1      LEU  10 -12.472  -4.767   9.414
   77    HG   LEU  10           HG       LEU  10 -10.336  -3.747  11.306
   78   HD11  LEU  10          HD11      LEU  10 -12.882  -5.282  11.862
   79   HD12  LEU  10          HD12      LEU  10 -12.309  -3.807  12.642
   80   HD13  LEU  10          HD13      LEU  10 -11.492  -5.341  12.946
   81   HD21  LEU  10          HD21      LEU  10 -10.996  -6.400  10.007
   82   HD22  LEU  10          HD22      LEU  10 -10.120  -6.357  11.530
   83   HD23  LEU  10          HD23      LEU  10  -9.444  -5.576  10.118
   84    H    LYS  11           HN       LYS  11 -12.360  -1.399   8.226
   85    HA   LYS  11           HA       LYS  11 -13.926  -2.375   6.119
   86    HB2  LYS  11           HB2      LYS  11 -13.151   0.422   6.923
   87    HB3  LYS  11           HB1      LYS  11 -14.258   0.096   5.590
   88    HG2  LYS  11           HG2      LYS  11 -15.715  -1.186   7.130
   89    HG3  LYS  11           HG1      LYS  11 -14.622  -0.818   8.460
   90    HD2  LYS  11           HD2      LYS  11 -15.023   1.589   8.146
   91    HD3  LYS  11           HD1      LYS  11 -16.096   1.239   6.791
   92    HE2  LYS  11           HE2      LYS  11 -17.579  -0.041   8.299
   93    HE3  LYS  11           HE1      LYS  11 -16.514   0.330   9.655
   94    HZ1  LYS  11           HZ1      LYS  11 -18.554   1.809   9.249
   95    HZ2  LYS  11           HZ2      LYS  11 -17.635   2.491   7.992
   96    HZ3  LYS  11           HZ3      LYS  11 -17.072   2.558   9.594
   97    H    GLU  12           HN       GLU  12 -10.857  -0.615   6.089
   98    HA   GLU  12           HA       GLU  12 -10.686  -0.293   3.286
   99    HB2  GLU  12           HB2      GLU  12  -9.324   0.985   4.929
  100    HB3  GLU  12           HB1      GLU  12  -8.423  -0.490   5.283
  101    HG2  GLU  12           HG2      GLU  12  -7.683  -0.639   2.957
  102    HG3  GLU  12           HG1      GLU  12  -8.647   0.776   2.538
  103    H    ARG  13           HN       ARG  13  -9.265  -2.720   5.471
  104    HA   ARG  13           HA       ARG  13  -8.096  -4.242   3.349
  105    HB2  ARG  13           HB2      ARG  13  -8.661  -4.912   6.243
  106    HB3  ARG  13           HB1      ARG  13  -7.778  -5.970   5.141
  107    HG2  ARG  13           HG2      ARG  13  -6.118  -4.185   4.753
  108    HG3  ARG  13           HG1      ARG  13  -6.998  -3.125   5.855
  109    HD2  ARG  13           HD2      ARG  13  -5.826  -5.812   6.626
  110    HD3  ARG  13           HD1      ARG  13  -5.060  -4.258   6.946
  111    HE   ARG  13           HE       ARG  13  -7.662  -4.166   7.997
  112   HH11  ARG  13          HH21      ARG  13  -4.663  -5.837   8.432
  113   HH12  ARG  13          HH22      ARG  13  -4.900  -6.105  10.127
  114   HH21  ARG  13          HH11      ARG  13  -7.979  -4.516  10.218
  115   HH22  ARG  13          HH12      ARG  13  -6.776  -5.356  11.137
  116    H    ALA  14           HN       ALA  14 -11.225  -4.098   4.799
  117    HA   ALA  14           HA       ALA  14 -12.090  -6.725   4.081
  118    HB1  ALA  14           HB1      ALA  14 -13.626  -4.221   4.765
  119    HB2  ALA  14           HB2      ALA  14 -13.248  -5.555   5.851
  120    HB3  ALA  14           HB3      ALA  14 -14.376  -5.794   4.519
  121    H    LYS  15           HN       LYS  15 -11.449  -3.958   2.282
  122    HA   LYS  15           HA       LYS  15 -13.476  -4.070   0.310
  123    HB2  LYS  15           HB2      LYS  15 -10.642  -3.046   0.265
  124    HB3  LYS  15           HB1      LYS  15 -11.723  -2.903  -1.120
  125    HG2  LYS  15           HG2      LYS  15 -13.350  -1.684   0.267
  126    HG3  LYS  15           HG1      LYS  15 -12.267  -1.821   1.652
  127    HD2  LYS  15           HD2      LYS  15 -10.587  -0.477   0.576
  128    HD3  LYS  15           HD1      LYS  15 -11.467  -0.503  -0.953
  129    HE2  LYS  15           HE2      LYS  15 -11.858   1.628   0.163
  130    HE3  LYS  15           HE1      LYS  15 -13.349   0.688   0.152
  131    HZ1  LYS  15           HZ1      LYS  15 -13.118   1.519   2.323
  132    HZ2  LYS  15           HZ2      LYS  15 -11.473   1.105   2.403
  133    HZ3  LYS  15           HZ3      LYS  15 -12.660  -0.111   2.418
  134    H    VAL  16           HN       VAL  16 -10.283  -5.613   0.525
  135    HA   VAL  16           HA       VAL  16  -9.263  -7.113  -0.947
  136    HB   VAL  16           HB       VAL  16 -10.479  -9.257  -0.927
  137   HG11  VAL  16          HG11      VAL  16 -10.475  -9.548   1.428
  138   HG12  VAL  16          HG12      VAL  16 -10.898  -7.859   1.715
  139   HG13  VAL  16          HG13      VAL  16  -9.293  -8.278   1.115
  140   HG21  VAL  16          HG21      VAL  16 -12.745  -7.744   0.383
  141   HG22  VAL  16          HG22      VAL  16 -12.733  -9.421  -0.124
  142   HG23  VAL  16          HG23      VAL  16 -12.762  -8.149  -1.325
  143    H    PHE  17           HN       PHE  17 -10.943  -9.007  -2.560
  144    HA   PHE  17           HA       PHE  17 -11.240  -7.278  -4.925
  145    HB2  PHE  17           HB2      PHE  17 -11.033 -10.282  -4.629
  146    HB3  PHE  17           HB1      PHE  17 -11.260  -9.436  -6.160
  147    HD1  PHE  17           HD2      PHE  17  -9.526  -7.734  -6.898
  148    HD2  PHE  17           HD1      PHE  17  -8.881 -10.445  -3.630
  149    HE1  PHE  17           HE2      PHE  17  -7.084  -7.329  -7.045
  150    HE2  PHE  17           HE1      PHE  17  -6.439 -10.041  -3.775
  151    HZ   PHE  17           HZ       PHE  17  -5.540  -8.483  -5.483
  152    H    ALA  18           HN       ALA  18 -13.104  -7.304  -6.186
  153    HA   ALA  18           HA       ALA  18 -15.357  -7.398  -6.615
  154    HB1  ALA  18           HB1      ALA  18 -14.841  -9.899  -6.349
  155    HB2  ALA  18           HB2      ALA  18 -16.519  -9.401  -6.143
  156    HB3  ALA  18           HB3      ALA  18 -15.524  -9.748  -4.732
  157    H    LYS  19           HN       LYS  19 -16.966  -8.752  -4.227
  158    HA   LYS  19           HA       LYS  19 -16.859  -6.580  -2.348
  159    HB2  LYS  19           HB2      LYS  19 -18.375  -5.857  -4.184
  160    HB3  LYS  19           HB1      LYS  19 -19.458  -7.156  -3.692
  161    HG2  LYS  19           HG2      LYS  19 -20.319  -5.428  -2.389
  162    HG3  LYS  19           HG1      LYS  19 -19.122  -6.067  -1.265
  163    HD2  LYS  19           HD2      LYS  19 -17.484  -4.383  -2.074
  164    HD3  LYS  19           HD1      LYS  19 -18.706  -3.738  -3.166
  165    HE2  LYS  19           HE2      LYS  19 -18.603  -2.403  -1.109
  166    HE3  LYS  19           HE1      LYS  19 -20.155  -3.233  -1.228
  167    HZ1  LYS  19           HZ1      LYS  19 -19.516  -4.810   0.347
  168    HZ2  LYS  19           HZ2      LYS  19 -18.946  -3.342   0.983
  169    HZ3  LYS  19           HZ3      LYS  19 -17.871  -4.417   0.225
  170    HA   PRO  20           HA       PRO  20 -17.886 -10.356  -0.055
  171    HB2  PRO  20           HB2      PRO  20 -17.270  -9.414   2.433
  172    HB3  PRO  20           HB1      PRO  20 -16.034  -9.913   1.263
  173    HG2  PRO  20           HG2      PRO  20 -16.949  -7.171   2.003
  174    HG3  PRO  20           HG1      PRO  20 -15.319  -7.752   1.616
  175    HD2  PRO  20           HD2      PRO  20 -16.948  -6.387  -0.136
  176    HD3  PRO  20           HD1      PRO  20 -15.610  -7.465  -0.635
  177    H    ILE  21           HN       ILE  21 -19.472 -10.988   1.547
  178    HA   ILE  21           HA       ILE  21 -21.837  -9.296   1.477
  179    HB   ILE  21           HB       ILE  21 -21.980 -11.746   1.101
  180   HG12  ILE  21          HG12      ILE  21 -23.382 -10.912   3.658
  181   HG13  ILE  21          HG11      ILE  21 -23.876 -10.357   2.052
  182   HG21  ILE  21          HG21      ILE  21 -21.542 -13.304   2.846
  183   HG22  ILE  21          HG22      ILE  21 -21.418 -12.031   4.058
  184   HG23  ILE  21          HG23      ILE  21 -20.153 -12.218   2.845
  185   HD11  ILE  21          HD11      ILE  21 -23.708 -13.253   2.944
  186   HD12  ILE  21          HD12      ILE  21 -24.193 -12.701   1.341
  187   HD13  ILE  21          HD13      ILE  21 -25.193 -12.325   2.744
  188    H    GLY  22           HN       GLY  22 -22.570  -8.061   3.089
  189    HA2  GLY  22           HA2      GLY  22 -20.972  -7.719   5.471
  190    HA3  GLY  22           HA1      GLY  22 -22.423  -6.814   5.044
  191    H    ALA  23           HN       ALA  23 -22.963  -7.089   7.340
  192    HA   ALA  23           HA       ALA  23 -24.427  -7.998   8.871
  193    HB1  ALA  23           HB1      ALA  23 -25.953  -9.612   8.204
  194    HB2  ALA  23           HB2      ALA  23 -24.763 -10.519   7.273
  195    HB3  ALA  23           HB3      ALA  23 -25.423  -9.016   6.633
  196    H    SER  24           HN       SER  24 -22.732 -10.775   7.387
  197    HA   SER  24           HA       SER  24 -22.177 -11.970   9.931
  198    HB2  SER  24           HB2      SER  24 -20.830 -13.569   8.610
  199    HB3  SER  24           HB1      SER  24 -22.433 -13.336   7.917
  200    HG   SER  24           HG       SER  24 -19.943 -12.311   7.062
  201    H    TYR  25           HN       TYR  25 -20.302 -10.076   7.596
  202    HA   TYR  25           HA       TYR  25 -17.865 -10.254   9.142
  203    HB2  TYR  25           HB2      TYR  25 -17.839 -10.016   6.677
  204    HB3  TYR  25           HB1      TYR  25 -18.565  -8.417   6.842
  205    HD1  TYR  25           HD2      TYR  25 -15.621 -10.457   7.923
  206    HD2  TYR  25           HD1      TYR  25 -17.206  -6.526   7.224
  207    HE1  TYR  25           HE2      TYR  25 -13.373  -9.481   8.306
  208    HE2  TYR  25           HE1      TYR  25 -14.959  -5.552   7.606
  209    HH   TYR  25           HH       TYR  25 -12.125  -7.618   8.130
  210    H    GLN  26           HN       GLN  26 -20.671  -8.276   9.126
  211    HA   GLN  26           HA       GLN  26 -19.565  -5.875  10.164
  212    HB2  GLN  26           HB2      GLN  26 -21.798  -5.957   9.148
  213    HB3  GLN  26           HB1      GLN  26 -22.361  -6.996  10.457
  214    HG2  GLN  26           HG2      GLN  26 -21.987  -5.256  12.091
  215    HG3  GLN  26           HG1      GLN  26 -21.197  -4.235  10.891
  216   HE21  GLN  26          HE21      GLN  26 -23.498  -3.325  12.339
  217   HE22  GLN  26          HE22      GLN  26 -24.786  -3.172  11.244
  218    H    GLY  27           HN       GLY  27 -20.478  -8.915  11.597
  219    HA2  GLY  27           HA2      GLY  27 -20.777  -8.116  14.281
  220    HA3  GLY  27           HA1      GLY  27 -20.314  -9.728  13.744
  221    H    ILE  28           HN       ILE  28 -17.931  -8.848  12.347
  222    HA   ILE  28           HA       ILE  28 -16.082  -8.951  14.506
  223    HB   ILE  28           HB       ILE  28 -15.692  -8.430  11.559
  224   HG12  ILE  28          HG12      ILE  28 -15.071 -10.873  13.246
  225   HG13  ILE  28          HG11      ILE  28 -16.562 -10.683  12.322
  226   HG21  ILE  28          HG21      ILE  28 -13.799  -7.458  12.651
  227   HG22  ILE  28          HG22      ILE  28 -13.280  -9.056  12.136
  228   HG23  ILE  28          HG23      ILE  28 -13.711  -8.773  13.821
  229   HD11  ILE  28          HD11      ILE  28 -13.734 -10.767  11.245
  230   HD12  ILE  28          HD12      ILE  28 -15.132 -10.308  10.271
  231   HD13  ILE  28          HD13      ILE  28 -15.026 -11.932  10.948
  232    H    LEU  29           HN       LEU  29 -17.601  -6.383  12.765
  233    HA   LEU  29           HA       LEU  29 -15.649  -4.388  13.681
  234    HB2  LEU  29           HB2      LEU  29 -18.017  -4.369  11.818
  235    HB3  LEU  29           HB1      LEU  29 -17.410  -2.848  12.474
  236    HG   LEU  29           HG       LEU  29 -15.150  -3.394  11.623
  237   HD11  LEU  29          HD11      LEU  29 -15.165  -5.788  11.628
  238   HD12  LEU  29          HD12      LEU  29 -15.053  -5.306   9.936
  239   HD13  LEU  29          HD13      LEU  29 -16.595  -5.846  10.598
  240   HD21  LEU  29          HD21      LEU  29 -16.646  -2.063  10.222
  241   HD22  LEU  29          HD22      LEU  29 -17.380  -3.529   9.573
  242   HD23  LEU  29          HD23      LEU  29 -15.698  -3.149   9.206
  243    H    ASP  30           HN       ASP  30 -19.088  -5.187  14.098
  244    HA   ASP  30           HA       ASP  30 -19.709  -3.106  15.885
  245    HB2  ASP  30           HB2      ASP  30 -21.342  -4.622  14.682
  246    HB3  ASP  30           HB1      ASP  30 -20.967  -5.850  15.890
  247    H    GLN  31           HN       GLN  31 -18.191  -6.220  16.356
  248    HA   GLN  31           HA       GLN  31 -18.501  -6.442  19.146
  249    HB2  GLN  31           HB2      GLN  31 -16.782  -8.096  19.061
  250    HB3  GLN  31           HB1      GLN  31 -17.704  -8.242  17.564
  251    HG2  GLN  31           HG2      GLN  31 -15.585  -8.170  16.622
  252    HG3  GLN  31           HG1      GLN  31 -15.873  -6.458  16.725
  253   HE21  GLN  31          HE21      GLN  31 -13.223  -7.497  16.781
  254   HE22  GLN  31          HE22      GLN  31 -12.573  -7.221  18.324
  255    H    LEU  32           HN       LEU  32 -16.115  -4.755  17.161
  256    HA   LEU  32           HA       LEU  32 -14.260  -4.138  19.177
  257    HB2  LEU  32           HB2      LEU  32 -15.008  -2.715  16.619
  258    HB3  LEU  32           HB1      LEU  32 -13.674  -2.202  17.644
  259    HG   LEU  32           HG       LEU  32 -13.938  -5.023  16.557
  260   HD11  LEU  32          HD11      LEU  32 -12.187  -4.324  14.924
  261   HD12  LEU  32          HD12      LEU  32 -12.391  -2.657  15.458
  262   HD13  LEU  32          HD13      LEU  32 -13.722  -3.499  14.663
  263   HD21  LEU  32          HD21      LEU  32 -11.333  -4.734  17.015
  264   HD22  LEU  32          HD22      LEU  32 -12.417  -5.160  18.317
  265   HD23  LEU  32          HD23      LEU  32 -11.873  -3.496  18.136
  266    H    ASP  33           HN       ASP  33 -17.148  -2.428  18.052
  267    HA   ASP  33           HA       ASP  33 -16.862  -0.152  19.721
  268    HB2  ASP  33           HB2      ASP  33 -18.408  -0.345  17.750
  269    HB3  ASP  33           HB1      ASP  33 -19.447  -1.373  18.738
  270    H    LEU  34           HN       LEU  34 -18.501  -3.273  20.159
  271    HA   LEU  34           HA       LEU  34 -19.634  -2.685  22.697
  272    HB2  LEU  34           HB2      LEU  34 -18.894  -5.312  21.383
  273    HB3  LEU  34           HB1      LEU  34 -19.786  -5.190  22.896
  274    HG   LEU  34           HG       LEU  34 -20.666  -3.875  20.308
  275   HD11  LEU  34          HD11      LEU  34 -21.409  -6.528  21.559
  276   HD12  LEU  34          HD12      LEU  34 -20.806  -6.234  19.928
  277   HD13  LEU  34          HD13      LEU  34 -22.432  -5.717  20.374
  278   HD21  LEU  34          HD21      LEU  34 -21.793  -2.711  21.976
  279   HD22  LEU  34          HD22      LEU  34 -21.782  -4.068  23.102
  280   HD23  LEU  34          HD23      LEU  34 -22.908  -4.047  21.752
  281    H    VAL  35           HN       VAL  35 -16.591  -4.225  21.697
  282    HA   VAL  35           HA       VAL  35 -15.694  -4.879  24.308
  283    HB   VAL  35           HB       VAL  35 -14.229  -4.336  21.722
  284   HG11  VAL  35          HG11      VAL  35 -13.180  -5.101  24.456
  285   HG12  VAL  35          HG12      VAL  35 -12.605  -3.824  23.381
  286   HG13  VAL  35          HG13      VAL  35 -12.305  -5.513  22.978
  287   HG21  VAL  35          HG21      VAL  35 -15.715  -6.381  22.004
  288   HG22  VAL  35          HG22      VAL  35 -14.625  -6.900  23.287
  289   HG23  VAL  35          HG23      VAL  35 -14.026  -6.734  21.639
  290    H    HIS  36           HN       HIS  36 -15.784  -1.888  22.554
  291    HA   HIS  36           HA       HIS  36 -13.833  -0.546  24.224
  292    HB2  HIS  36           HB2      HIS  36 -14.251   0.076  21.836
  293    HB3  HIS  36           HB1      HIS  36 -15.845   0.660  22.314
  294    HD2  HIS  36           HD2      HIS  36 -15.828   3.268  23.245
  295    HE1  HIS  36           HE1      HIS  36 -11.675   3.621  23.919
  296    HE2  HIS  36           HE2      HIS  36 -13.886   4.870  23.942
  297    H    GLN  37           HN       GLN  37 -17.350  -0.779  23.990
  298    HA   GLN  37           HA       GLN  37 -17.782   1.162  26.110
  299    HB2  GLN  37           HB2      GLN  37 -19.687  -0.727  24.701
  300    HB3  GLN  37           HB1      GLN  37 -20.161   0.530  25.844
  301    HG2  GLN  37           HG2      GLN  37 -18.616   1.051  23.292
  302    HG3  GLN  37           HG1      GLN  37 -20.362   1.243  23.448
  303   HE21  GLN  37          HE21      GLN  37 -17.674   3.096  23.372
  304   HE22  GLN  37          HE22      GLN  37 -18.119   4.327  24.453
  305    H    ALA  38           HN       ALA  38 -17.303  -2.254  25.805
  306    HA   ALA  38           HA       ALA  38 -18.565  -3.017  28.262
  307    HB1  ALA  38           HB1      ALA  38 -18.301  -4.742  26.659
  308    HB2  ALA  38           HB2      ALA  38 -17.129  -5.114  27.923
  309    HB3  ALA  38           HB3      ALA  38 -16.595  -4.367  26.418
  310    H    LYS  39           HN       LYS  39 -17.441  -3.819  30.155
  311    HA   LYS  39           HA       LYS  39 -14.690  -3.097  30.557
  312    HB2  LYS  39           HB2      LYS  39 -15.741  -0.915  30.898
  313    HB3  LYS  39           HB1      LYS  39 -16.856  -1.622  32.066
  314    HG2  LYS  39           HG2      LYS  39 -15.006  -0.511  33.230
  315    HG3  LYS  39           HG1      LYS  39 -14.922  -2.241  33.511
  316    HD2  LYS  39           HD2      LYS  39 -13.110  -2.534  32.023
  317    HD3  LYS  39           HD1      LYS  39 -13.405  -0.989  31.219
  318    HE2  LYS  39           HE2      LYS  39 -11.456  -0.814  32.678
  319    HE3  LYS  39           HE1      LYS  39 -12.765   0.169  33.329
  320    HZ1  LYS  39           HZ1      LYS  39 -12.905  -2.501  34.289
  321    HZ2  LYS  39           HZ2      LYS  39 -12.814  -1.047  35.163
  322    HZ3  LYS  39           HZ3      LYS  39 -11.394  -1.818  34.638
  323    H    GLY  40           HN       GLY  40 -13.776  -4.190  32.274
  324    HA2  GLY  40           HA2      GLY  40 -13.630  -5.588  34.113
  325    HA3  GLY  40           HA1      GLY  40 -15.362  -5.385  34.354
  326    H    ARG  41           HN       ARG  41 -16.226  -7.364  34.424
  327    HA   ARG  41           HA       ARG  41 -15.165  -9.622  33.084
  328    HB2  ARG  41           HB2      ARG  41 -16.523  -9.806  35.124
  329    HB3  ARG  41           HB1      ARG  41 -17.921  -9.179  34.255
  330    HG2  ARG  41           HG2      ARG  41 -16.615 -11.486  32.895
  331    HG3  ARG  41           HG1      ARG  41 -17.275 -11.880  34.478
  332    HD2  ARG  41           HD2      ARG  41 -18.845 -10.419  32.346
  333    HD3  ARG  41           HD1      ARG  41 -18.894 -12.164  32.563
  334    HE   ARG  41           HE       ARG  41 -19.436 -10.999  35.050
  335   HH11  ARG  41          HH21      ARG  41 -20.756 -11.126  31.855
  336   HH12  ARG  41          HH22      ARG  41 -22.397 -10.946  32.376
  337   HH21  ARG  41          HH11      ARG  41 -21.588 -10.763  35.743
  338   HH22  ARG  41          HH12      ARG  41 -22.869 -10.740  34.577
  339    H    ASP  42           HN       ASP  42 -17.238  -7.082  32.083
  340    HA   ASP  42           HA       ASP  42 -18.711  -8.413  30.063
  341    HB2  ASP  42           HB2      ASP  42 -17.929  -5.531  30.469
  342    HB3  ASP  42           HB1      ASP  42 -18.914  -6.057  29.105
  343    H    GLN  43           HN       GLN  43 -15.534  -6.904  30.116
  344    HA   GLN  43           HA       GLN  43 -15.077  -6.925  27.322
  345    HB2  GLN  43           HB2      GLN  43 -13.205  -6.902  29.686
  346    HB3  GLN  43           HB1      GLN  43 -12.645  -6.811  28.015
  347    HG2  GLN  43           HG2      GLN  43 -13.897  -4.781  27.634
  348    HG3  GLN  43           HG1      GLN  43 -14.676  -4.919  29.205
  349   HE21  GLN  43          HE21      GLN  43 -12.152  -3.362  27.619
  350   HE22  GLN  43          HE22      GLN  43 -11.186  -2.991  28.964
  351    H    ILE  44           HN       ILE  44 -14.542  -9.286  29.872
  352    HA   ILE  44           HA       ILE  44 -13.005 -11.129  28.370
  353    HB   ILE  44           HB       ILE  44 -14.848 -11.710  30.694
  354   HG12  ILE  44          HG12      ILE  44 -11.884 -11.044  30.702
  355   HG13  ILE  44          HG11      ILE  44 -13.157  -9.882  31.104
  356   HG21  ILE  44          HG21      ILE  44 -13.229 -13.589  31.052
  357   HG22  ILE  44          HG22      ILE  44 -12.450 -13.159  29.529
  358   HG23  ILE  44          HG23      ILE  44 -14.119 -13.727  29.537
  359   HD11  ILE  44          HD11      ILE  44 -12.401 -12.410  32.576
  360   HD12  ILE  44          HD12      ILE  44 -13.951 -11.614  32.838
  361   HD13  ILE  44          HD13      ILE  44 -12.451 -10.761  33.196
  362    H    ALA  45           HN       ALA  45 -16.491 -10.827  28.966
  363    HA   ALA  45           HA       ALA  45 -17.373 -13.173  27.757
  364    HB1  ALA  45           HB1      ALA  45 -19.509 -12.163  27.639
  365    HB2  ALA  45           HB2      ALA  45 -18.828 -10.544  27.479
  366    HB3  ALA  45           HB3      ALA  45 -18.729 -11.394  29.021
  367    H    ALA  46           HN       ALA  46 -16.522 -10.062  26.294
  368    HA   ALA  46           HA       ALA  46 -17.399 -10.630  23.671
  369    HB1  ALA  46           HB1      ALA  46 -16.067  -8.748  23.001
  370    HB2  ALA  46           HB2      ALA  46 -15.081  -8.859  24.459
  371    HB3  ALA  46           HB3      ALA  46 -16.769  -8.360  24.572
  372    H    SER  47           HN       SER  47 -14.275 -11.086  25.298
  373    HA   SER  47           HA       SER  47 -12.863 -12.014  23.058
  374    HB2  SER  47           HB2      SER  47 -11.217 -12.839  24.640
  375    HB3  SER  47           HB1      SER  47 -11.822 -11.285  25.205
  376    HG   SER  47           HG       SER  47 -13.055 -12.307  26.705
  377    H    PHE  48           HN       PHE  48 -14.938 -13.636  25.377
  378    HA   PHE  48           HA       PHE  48 -14.266 -16.299  24.782
  379    HB2  PHE  48           HB2      PHE  48 -15.680 -15.518  26.710
  380    HB3  PHE  48           HB1      PHE  48 -16.999 -15.267  25.568
  381    HD1  PHE  48           HD2      PHE  48 -14.481 -17.901  26.487
  382    HD2  PHE  48           HD1      PHE  48 -18.502 -17.036  25.244
  383    HE1  PHE  48           HE2      PHE  48 -15.043 -20.312  26.626
  384    HE2  PHE  48           HE1      PHE  48 -19.063 -19.444  25.383
  385    HZ   PHE  48           HZ       PHE  48 -17.335 -21.083  26.074
  386    H    GLU  49           HN       GLU  49 -16.835 -14.229  23.437
  387    HA   GLU  49           HA       GLU  49 -17.720 -16.186  21.554
  388    HB2  GLU  49           HB2      GLU  49 -18.168 -13.217  21.841
  389    HB3  GLU  49           HB1      GLU  49 -18.842 -14.133  20.495
  390    HG2  GLU  49           HG2      GLU  49 -20.043 -15.589  22.015
  391    HG3  GLU  49           HG1      GLU  49 -19.280 -14.826  23.412
  392    H    LEU  50           HN       LEU  50 -15.636 -13.325  21.324
  393    HA   LEU  50           HA       LEU  50 -15.169 -13.445  18.564
  394    HB2  LEU  50           HB2      LEU  50 -13.473 -12.366  20.814
  395    HB3  LEU  50           HB1      LEU  50 -13.087 -12.137  19.115
  396    HG   LEU  50           HG       LEU  50 -15.738 -11.328  20.345
  397   HD11  LEU  50          HD11      LEU  50 -13.680 -10.086  21.238
  398   HD12  LEU  50          HD12      LEU  50 -14.925  -9.087  20.491
  399   HD13  LEU  50          HD13      LEU  50 -13.460  -9.489  19.593
  400   HD21  LEU  50          HD21      LEU  50 -16.183 -11.427  18.083
  401   HD22  LEU  50          HD22      LEU  50 -14.508 -11.149  17.610
  402   HD23  LEU  50          HD23      LEU  50 -15.504  -9.818  18.156
  403    H    ASN  51           HN       ASN  51 -13.511 -14.977  21.270
  404    HA   ASN  51           HA       ASN  51 -11.280 -15.986  19.964
  405    HB2  ASN  51           HB2      ASN  51 -12.956 -17.048  22.239
  406    HB3  ASN  51           HB1      ASN  51 -11.542 -17.930  21.666
  407   HD21  ASN  51          HD21      ASN  51 -11.564 -16.874  24.296
  408   HD22  ASN  51          HD22      ASN  51 -10.451 -15.595  24.382
  409    H    LYS  52           HN       LYS  52 -14.451 -17.575  20.364
  410    HA   LYS  52           HA       LYS  52 -13.800 -19.826  18.771
  411    HB2  LYS  52           HB2      LYS  52 -16.439 -18.609  19.561
  412    HB3  LYS  52           HB1      LYS  52 -16.301 -20.119  18.668
  413    HG2  LYS  52           HG2      LYS  52 -14.893 -21.052  20.492
  414    HG3  LYS  52           HG1      LYS  52 -15.104 -19.557  21.399
  415    HD2  LYS  52           HD2      LYS  52 -17.547 -21.043  20.424
  416    HD3  LYS  52           HD1      LYS  52 -16.705 -21.617  21.861
  417    HE2  LYS  52           HE2      LYS  52 -17.645 -18.758  21.505
  418    HE3  LYS  52           HE1      LYS  52 -18.565 -19.994  22.351
  419    HZ1  LYS  52           HZ1      LYS  52 -17.119 -18.565  23.776
  420    HZ2  LYS  52           HZ2      LYS  52 -15.770 -19.288  23.046
  421    HZ3  LYS  52           HZ3      LYS  52 -16.859 -20.230  23.948
  422    H    LYS  53           HN       LYS  53 -15.537 -16.812  18.047
  423    HA   LYS  53           HA       LYS  53 -16.196 -17.419  15.383
  424    HB2  LYS  53           HB2      LYS  53 -15.717 -14.774  16.762
  425    HB3  LYS  53           HB1      LYS  53 -16.346 -14.912  15.128
  426    HG2  LYS  53           HG2      LYS  53 -18.268 -16.161  15.922
  427    HG3  LYS  53           HG1      LYS  53 -17.615 -16.198  17.559
  428    HD2  LYS  53           HD2      LYS  53 -17.680 -13.681  17.566
  429    HD3  LYS  53           HD1      LYS  53 -18.508 -13.749  16.009
  430    HE2  LYS  53           HE2      LYS  53 -19.504 -15.142  18.501
  431    HE3  LYS  53           HE1      LYS  53 -20.052 -13.547  17.988
  432    HZ1  LYS  53           HZ1      LYS  53 -21.513 -15.355  17.225
  433    HZ2  LYS  53           HZ2      LYS  53 -20.222 -16.006  16.332
  434    HZ3  LYS  53           HZ3      LYS  53 -20.844 -14.475  15.938
  435    H    ILE  54           HN       ILE  54 -13.410 -15.653  16.711
  436    HA   ILE  54           HA       ILE  54 -12.165 -15.153  14.221
  437    HB   ILE  54           HB       ILE  54 -11.027 -15.314  17.020
  438   HG12  ILE  54          HG12      ILE  54 -11.622 -12.908  15.272
  439   HG13  ILE  54          HG11      ILE  54 -12.760 -13.534  16.459
  440   HG21  ILE  54          HG21      ILE  54  -9.790 -14.559  14.367
  441   HG22  ILE  54          HG22      ILE  54  -9.151 -15.629  15.605
  442   HG23  ILE  54          HG23      ILE  54  -9.177 -13.879  15.875
  443   HD11  ILE  54          HD11      ILE  54 -11.049 -13.243  18.233
  444   HD12  ILE  54          HD12      ILE  54 -11.434 -11.714  17.440
  445   HD13  ILE  54          HD13      ILE  54  -9.944 -12.566  17.036
  446    H    ASN  55           HN       ASN  55 -11.769 -17.730  16.623
  447    HA   ASN  55           HA       ASN  55  -9.658 -19.075  15.330
  448    HB2  ASN  55           HB2      ASN  55 -11.752 -19.910  17.325
  449    HB3  ASN  55           HB1      ASN  55 -10.639 -21.099  16.653
  450   HD21  ASN  55          HD21      ASN  55  -8.201 -20.136  16.665
  451   HD22  ASN  55          HD22      ASN  55  -7.741 -19.456  18.152
  452    H    ASP  56           HN       ASP  56 -13.164 -19.299  15.022
  453    HA   ASP  56           HA       ASP  56 -13.334 -21.613  13.462
  454    HB2  ASP  56           HB2      ASP  56 -15.295 -20.486  14.439
  455    HB3  ASP  56           HB1      ASP  56 -15.069 -19.132  13.333
  456    H    TYR  57           HN       TYR  57 -12.972 -18.218  12.456
  457    HA   TYR  57           HA       TYR  57 -13.012 -18.655   9.684
  458    HB2  TYR  57           HB2      TYR  57 -11.743 -16.525  11.405
  459    HB3  TYR  57           HB1      TYR  57 -11.609 -16.489   9.648
  460    HD1  TYR  57           HD1      TYR  57 -13.923 -16.940   8.370
  461    HD2  TYR  57           HD2      TYR  57 -13.559 -15.391  12.358
  462    HE1  TYR  57           HE1      TYR  57 -16.192 -15.957   8.198
  463    HE2  TYR  57           HE2      TYR  57 -15.825 -14.412  12.190
  464    HH   TYR  57           HH       TYR  57 -17.321 -13.647   9.851
  465    H    ILE  58           HN       ILE  58 -10.338 -18.720  12.003
  466    HA   ILE  58           HA       ILE  58  -8.250 -19.020  10.128
  467    HB   ILE  58           HB       ILE  58  -8.487 -19.935  13.000
  468   HG12  ILE  58          HG12      ILE  58  -6.995 -17.584  11.781
  469   HG13  ILE  58          HG11      ILE  58  -8.617 -17.457  12.483
  470   HG21  ILE  58          HG21      ILE  58  -6.747 -21.259  12.011
  471   HG22  ILE  58          HG22      ILE  58  -5.935 -19.939  12.844
  472   HG23  ILE  58          HG23      ILE  58  -6.136 -19.884  11.093
  473   HD11  ILE  58          HD11      ILE  58  -6.005 -18.052  13.858
  474   HD12  ILE  58          HD12      ILE  58  -7.517 -18.578  14.587
  475   HD13  ILE  58          HD13      ILE  58  -7.236 -16.871  14.288
  476    H    ALA  59           HN       ALA  59 -10.208 -21.412  11.886
  477    HA   ALA  59           HA       ALA  59  -8.883 -23.705  10.890
  478    HB1  ALA  59           HB1      ALA  59 -11.018 -24.881  11.535
  479    HB2  ALA  59           HB2      ALA  59 -11.690 -23.302  11.941
  480    HB3  ALA  59           HB3      ALA  59 -10.293 -23.919  12.823
  481    H    GLU  60           HN       GLU  60 -11.626 -21.820   9.708
  482    HA   GLU  60           HA       GLU  60 -12.233 -23.603   7.548
  483    HB2  GLU  60           HB2      GLU  60 -13.014 -20.729   8.084
  484    HB3  GLU  60           HB1      GLU  60 -13.637 -21.687   6.741
  485    HG2  GLU  60           HG2      GLU  60 -13.855 -22.513   9.647
  486    HG3  GLU  60           HG1      GLU  60 -15.136 -21.684   8.761
  487    H    HIS  61           HN       HIS  61 -10.366 -20.627   7.895
  488    HA   HIS  61           HA       HIS  61  -9.158 -21.140   5.236
  489    HB2  HIS  61           HB2      HIS  61  -9.891 -18.400   6.249
  490    HB3  HIS  61           HB1      HIS  61  -9.255 -18.832   4.662
  491    HD2  HIS  61           HD2      HIS  61 -12.590 -17.939   5.940
  492    HE1  HIS  61           HE1      HIS  61 -13.424 -20.999   3.154
  493    HE2  HIS  61           HE2      HIS  61 -14.442 -19.126   4.533
  494    HA   PRO  62           HA       PRO  62  -6.048 -20.391   8.654
  495    HB2  PRO  62           HB2      PRO  62  -4.663 -22.748   8.331
  496    HB3  PRO  62           HB1      PRO  62  -6.055 -22.574   9.415
  497    HG2  PRO  62           HG2      PRO  62  -5.923 -23.750   6.675
  498    HG3  PRO  62           HG1      PRO  62  -6.855 -24.281   8.088
  499    HD2  PRO  62           HD2      PRO  62  -7.944 -22.871   6.005
  500    HD3  PRO  62           HD1      PRO  62  -8.588 -22.803   7.655
  501    H    THR  63           HN       THR  63  -5.976 -21.262   5.307
  502    HA   THR  63           HA       THR  63  -3.145 -20.669   4.955
  503    HB   THR  63           HB       THR  63  -3.772 -22.287   3.417
  504    HG1  THR  63           HG1      THR  63  -3.573 -21.300   1.529
  505   HG21  THR  63          HG21      THR  63  -6.095 -22.470   3.871
  506   HG22  THR  63          HG22      THR  63  -5.996 -22.079   2.154
  507   HG23  THR  63          HG23      THR  63  -6.413 -20.824   3.321
  508    H    SER  64           HN       SER  64  -6.167 -19.002   4.854
  509    HA   SER  64           HA       SER  64  -5.515 -16.904   3.077
  510    HB2  SER  64           HB2      SER  64  -7.446 -17.121   5.383
  511    HB3  SER  64           HB1      SER  64  -7.280 -15.638   4.446
  512    HG   SER  64           HG       SER  64  -7.614 -18.112   3.150
  513    H    GLY  65           HN       GLY  65  -4.635 -14.880   3.412
  514    HA2  GLY  65           HA2      GLY  65  -2.836 -14.657   5.704
  515    HA3  GLY  65           HA1      GLY  65  -2.847 -13.629   4.280
  516    H    ARG  66           HN       ARG  66  -5.894 -13.473   4.683
  517    HA   ARG  66           HA       ARG  66  -5.909 -10.981   6.042
  518    HB2  ARG  66           HB2      ARG  66  -8.079 -12.828   5.056
  519    HB3  ARG  66           HB1      ARG  66  -8.467 -11.354   5.938
  520    HG2  ARG  66           HG2      ARG  66  -8.501 -10.883   3.546
  521    HG3  ARG  66           HG1      ARG  66  -7.135 -10.047   4.282
  522    HD2  ARG  66           HD2      ARG  66  -6.635 -11.282   2.109
  523    HD3  ARG  66           HD1      ARG  66  -5.579 -11.649   3.456
  524    HE   ARG  66           HE       ARG  66  -6.518 -13.803   3.570
  525   HH11  ARG  66          HH21      ARG  66  -8.215 -11.728   1.383
  526   HH12  ARG  66          HH22      ARG  66  -9.141 -13.005   0.670
  527   HH21  ARG  66          HH11      ARG  66  -7.729 -15.485   2.641
  528   HH22  ARG  66          HH12      ARG  66  -8.866 -15.134   1.383
  529    H    ASN  67           HN       ASN  67  -6.725 -14.265   7.008
  530    HA   ASN  67           HA       ASN  67  -7.940 -13.633   9.475
  531    HB2  ASN  67           HB2      ASN  67  -7.497 -15.985  10.062
  532    HB3  ASN  67           HB1      ASN  67  -8.150 -15.841   8.430
  533   HD21  ASN  67          HD21      ASN  67  -6.974 -18.105   8.364
  534   HD22  ASN  67          HD22      ASN  67  -5.353 -18.079   7.864
  535    H    GLN  68           HN       GLN  68  -4.665 -13.560   8.460
  536    HA   GLN  68           HA       GLN  68  -3.315 -14.085  10.866
  537    HB2  GLN  68           HB2      GLN  68  -2.571 -12.195   8.624
  538    HB3  GLN  68           HB1      GLN  68  -1.479 -12.742   9.885
  539    HG2  GLN  68           HG2      GLN  68  -2.955 -14.612   8.021
  540    HG3  GLN  68           HG1      GLN  68  -1.299 -14.069   7.754
  541   HE21  GLN  68          HE21      GLN  68  -2.830 -16.733   8.779
  542   HE22  GLN  68          HE22      GLN  68  -1.775 -17.260  10.000
  543    H    ALA  69           HN       ALA  69  -4.674 -11.073   9.571
  544    HA   ALA  69           HA       ALA  69  -3.798  -9.489  11.811
  545    HB1  ALA  69           HB1      ALA  69  -5.754  -8.952   9.569
  546    HB2  ALA  69           HB2      ALA  69  -4.092  -8.379   9.697
  547    HB3  ALA  69           HB3      ALA  69  -5.323  -7.762  10.798
  548    H    LEU  70           HN       LEU  70  -6.648 -11.320  10.966
  549    HA   LEU  70           HA       LEU  70  -8.386 -10.174  12.892
  550    HB2  LEU  70           HB2      LEU  70  -9.134 -11.498  10.902
  551    HB3  LEU  70           HB1      LEU  70  -8.526 -12.946  11.693
  552    HG   LEU  70           HG       LEU  70 -10.019 -12.387  13.663
  553   HD11  LEU  70          HD11      LEU  70 -12.011 -10.868  12.852
  554   HD12  LEU  70          HD12      LEU  70 -10.804 -10.184  11.775
  555   HD13  LEU  70          HD13      LEU  70 -10.565 -10.132  13.520
  556   HD21  LEU  70          HD21      LEU  70 -10.715 -14.099  12.097
  557   HD22  LEU  70          HD22      LEU  70 -11.263 -12.879  10.949
  558   HD23  LEU  70          HD23      LEU  70 -12.118 -13.099  12.475
  559    H    THR  71           HN       THR  71  -6.191 -12.929  12.911
  560    HA   THR  71           HA       THR  71  -6.964 -14.011  15.398
  561    HB   THR  71           HB       THR  71  -4.221 -14.148  14.151
  562    HG1  THR  71           HG1      THR  71  -4.993 -15.711  12.884
  563   HG21  THR  71          HG21      THR  71  -4.372 -15.003  16.451
  564   HG22  THR  71          HG22      THR  71  -4.161 -16.333  15.317
  565   HG23  THR  71          HG23      THR  71  -5.752 -16.001  15.998
  566    H    GLN  72           HN       GLN  72  -5.113 -11.242  14.569
  567    HA   GLN  72           HA       GLN  72  -3.589 -11.053  16.973
  568    HB2  GLN  72           HB2      GLN  72  -4.339  -9.050  14.862
  569    HB3  GLN  72           HB1      GLN  72  -3.302  -8.655  16.229
  570    HG2  GLN  72           HG2      GLN  72  -1.719 -10.409  15.565
  571    HG3  GLN  72           HG1      GLN  72  -2.766 -10.863  14.225
  572   HE21  GLN  72          HE21      GLN  72  -1.705 -10.152  12.357
  573   HE22  GLN  72          HE22      GLN  72  -1.062  -8.594  12.151
  574    H    LEU  73           HN       LEU  73  -6.836 -10.266  16.122
  575    HA   LEU  73           HA       LEU  73  -7.363  -8.211  17.957
  576    HB2  LEU  73           HB2      LEU  73  -9.065 -10.325  16.643
  577    HB3  LEU  73           HB1      LEU  73  -9.778  -9.245  17.823
  578    HG   LEU  73           HG       LEU  73  -9.969  -8.454  15.423
  579   HD11  LEU  73          HD11      LEU  73  -8.292  -6.411  16.800
  580   HD12  LEU  73          HD12      LEU  73  -9.695  -6.985  17.691
  581   HD13  LEU  73          HD13      LEU  73  -9.895  -6.274  16.102
  582   HD21  LEU  73          HD21      LEU  73  -7.594  -9.279  14.881
  583   HD22  LEU  73          HD22      LEU  73  -7.023  -7.822  15.686
  584   HD23  LEU  73          HD23      LEU  73  -8.033  -7.697  14.252
  585    H    LYS  74           HN       LYS  74  -7.732 -11.713  18.332
  586    HA   LYS  74           HA       LYS  74  -8.673 -11.613  20.993
  587    HB2  LYS  74           HB2      LYS  74  -7.819 -14.025  21.049
  588    HB3  LYS  74           HB1      LYS  74  -9.022 -13.633  19.819
  589    HG2  LYS  74           HG2      LYS  74  -7.388 -13.527  18.099
  590    HG3  LYS  74           HG1      LYS  74  -6.069 -13.495  19.262
  591    HD2  LYS  74           HD2      LYS  74  -6.249 -15.723  18.260
  592    HD3  LYS  74           HD1      LYS  74  -6.637 -15.785  19.978
  593    HE2  LYS  74           HE2      LYS  74  -8.963 -15.953  19.565
  594    HE3  LYS  74           HE1      LYS  74  -8.789 -15.424  17.893
  595    HZ1  LYS  74           HZ1      LYS  74  -8.711 -18.030  18.912
  596    HZ2  LYS  74           HZ2      LYS  74  -7.183 -17.675  18.260
  597    HZ3  LYS  74           HZ3      LYS  74  -8.575 -17.527  17.299
  598    H    GLU  75           HN       GLU  75  -5.445 -11.664  19.609
  599    HA   GLU  75           HA       GLU  75  -4.016 -12.231  21.974
  600    HB2  GLU  75           HB2      GLU  75  -3.239 -10.724  19.468
  601    HB3  GLU  75           HB1      GLU  75  -2.101 -11.125  20.753
  602    HG2  GLU  75           HG2      GLU  75  -3.784 -13.170  19.289
  603    HG3  GLU  75           HG1      GLU  75  -2.121 -12.790  18.870
  604    H    GLN  76           HN       GLN  76  -4.874  -9.136  20.446
  605    HA   GLN  76           HA       GLN  76  -3.651  -7.503  22.408
  606    HB2  GLN  76           HB2      GLN  76  -4.389  -6.784  20.098
  607    HB3  GLN  76           HB1      GLN  76  -6.043  -6.771  20.710
  608    HG2  GLN  76           HG2      GLN  76  -5.197  -4.528  20.917
  609    HG3  GLN  76           HG1      GLN  76  -5.257  -5.209  22.538
  610   HE21  GLN  76          HE21      GLN  76  -2.876  -5.272  19.812
  611   HE22  GLN  76          HE22      GLN  76  -1.539  -4.901  20.791
  612    H    VAL  77           HN       VAL  77  -6.970  -8.701  22.033
  613    HA   VAL  77           HA       VAL  77  -8.108  -7.327  24.206
  614    HB   VAL  77           HB       VAL  77  -8.829  -9.989  22.961
  615   HG11  VAL  77          HG11      VAL  77  -9.845 -10.028  25.104
  616   HG12  VAL  77          HG12      VAL  77 -11.104  -9.403  24.038
  617   HG13  VAL  77          HG13      VAL  77 -10.192  -8.299  25.066
  618   HG21  VAL  77          HG21      VAL  77 -10.224  -7.319  22.680
  619   HG22  VAL  77          HG22      VAL  77 -10.383  -8.748  21.658
  620   HG23  VAL  77          HG23      VAL  77  -8.906  -7.788  21.609
  621    H    THR  78           HN       THR  78  -6.632 -10.557  24.023
  622    HA   THR  78           HA       THR  78  -7.082 -11.337  26.677
  623    HB   THR  78           HB       THR  78  -5.010 -12.785  26.292
  624    HG1  THR  78           HG1      THR  78  -5.040 -12.371  23.637
  625   HG21  THR  78          HG21      THR  78  -6.186 -14.001  24.326
  626   HG22  THR  78          HG22      THR  78  -7.417 -12.747  24.477
  627   HG23  THR  78          HG23      THR  78  -7.074 -13.816  25.838
  628    H    SER  79           HN       SER  79  -4.447  -9.468  25.229
  629    HA   SER  79           HA       SER  79  -2.803  -9.335  27.522
  630    HB2  SER  79           HB2      SER  79  -2.014  -8.745  25.262
  631    HB3  SER  79           HB1      SER  79  -3.079  -7.342  25.259
  632    HG   SER  79           HG       SER  79  -1.837  -7.031  27.436
  633    H    ALA  80           HN       ALA  80  -5.407  -7.240  26.340
  634    HA   ALA  80           HA       ALA  80  -5.154  -5.208  28.265
  635    HB1  ALA  80           HB1      ALA  80  -7.633  -6.163  26.832
  636    HB2  ALA  80           HB2      ALA  80  -6.506  -4.945  26.237
  637    HB3  ALA  80           HB3      ALA  80  -7.469  -4.626  27.680
  638    H    LEU  81           HN       LEU  81  -6.980  -8.234  28.279
  639    HA   LEU  81           HA       LEU  81  -8.330  -7.773  30.735
  640    HB2  LEU  81           HB2      LEU  81  -7.593 -10.351  29.336
  641    HB3  LEU  81           HB1      LEU  81  -8.698 -10.236  30.699
  642    HG   LEU  81           HG       LEU  81  -9.056  -8.708  28.104
  643   HD11  LEU  81          HD11      LEU  81  -9.238 -11.094  27.617
  644   HD12  LEU  81          HD12      LEU  81 -10.865 -10.411  27.657
  645   HD13  LEU  81          HD13      LEU  81 -10.266 -11.343  29.028
  646   HD21  LEU  81          HD21      LEU  81 -10.659  -9.044  30.645
  647   HD22  LEU  81          HD22      LEU  81 -11.507  -8.782  29.127
  648   HD23  LEU  81          HD23      LEU  81 -10.352  -7.592  29.698
  649    H    GLY  82           HN       GLY  82  -5.177  -9.073  29.928
  650    HA2  GLY  82           HA2      GLY  82  -3.322  -9.267  31.305
  651    HA3  GLY  82           HA1      GLY  82  -4.307  -8.741  32.665
  652    H    LEU  83           HN       LEU  83  -4.386 -11.515  30.414
  653    HA   LEU  83           HA       LEU  83  -5.360 -13.332  32.360
  654    HB2  LEU  83           HB2      LEU  83  -4.178 -13.562  29.615
  655    HB3  LEU  83           HB1      LEU  83  -4.304 -15.031  30.584
  656    HG   LEU  83           HG       LEU  83  -6.704 -14.628  30.910
  657   HD11  LEU  83          HD11      LEU  83  -6.113 -12.163  29.275
  658   HD12  LEU  83          HD12      LEU  83  -6.847 -12.246  30.874
  659   HD13  LEU  83          HD13      LEU  83  -7.742 -12.803  29.461
  660   HD21  LEU  83          HD21      LEU  83  -5.816 -15.863  28.891
  661   HD22  LEU  83          HD22      LEU  83  -5.996 -14.365  27.978
  662   HD23  LEU  83          HD23      LEU  83  -7.415 -15.152  28.668
  663    H    GLU  84           HN       GLU  84  -2.108 -12.491  31.278
  664    HA   GLU  84           HA       GLU  84  -0.976 -14.381  33.264
  665    HB2  GLU  84           HB2      GLU  84  -0.185 -14.511  30.881
  666    HB3  GLU  84           HB1      GLU  84   0.458 -12.878  31.061
  667    HG2  GLU  84           HG2      GLU  84   2.266 -14.398  31.519
  668    HG3  GLU  84           HG1      GLU  84   1.769 -13.721  33.063
  669    H    HIS  85           HN       HIS  85  -0.364 -13.571  35.141
  670    HA   HIS  85           HA       HIS  85  -0.300 -10.763  35.664
  671    HB2  HIS  85           HB2      HIS  85   0.643 -13.105  37.335
  672    HB3  HIS  85           HB1      HIS  85   0.485 -11.446  37.913
  673    HD2  HIS  85           HD2      HIS  85  -1.684 -14.559  37.645
  674    HE1  HIS  85           HE1      HIS  85  -4.379 -11.325  37.959
  675    HE2  HIS  85           HE2      HIS  85  -4.167 -13.853  38.047
  676    H    HIS  86           HN       HIS  86   1.441  -9.420  36.060
  677    HA   HIS  86           HA       HIS  86   4.047 -10.391  35.018
  678    HB2  HIS  86           HB2      HIS  86   2.961  -7.574  35.271
  679    HB3  HIS  86           HB1      HIS  86   4.538  -8.016  34.618
  680    HD2  HIS  86           HD2      HIS  86   0.853  -7.814  33.453
  681    HE1  HIS  86           HE1      HIS  86   3.017  -9.704  30.361
  682    HE2  HIS  86           HE2      HIS  86   0.787  -8.661  30.984
  683    H    HIS  87           HN       HIS  87   5.685 -10.614  36.380
  684    HA   HIS  87           HA       HIS  87   6.932 -10.563  38.311
  685    HB2  HIS  87           HB2      HIS  87   5.742  -7.784  38.506
  686    HB3  HIS  87           HB1      HIS  87   7.150  -8.367  39.394
  687    HD2  HIS  87           HD2      HIS  87   9.523  -8.605  37.846
  688    HE1  HIS  87           HE1      HIS  87   7.899  -6.986  34.300
  689    HE2  HIS  87           HE2      HIS  87  10.044  -7.726  35.443
  690    H    HIS  88           HN       HIS  88   6.134 -12.017  39.727
  691    HA   HIS  88           HA       HIS  88   3.618 -11.642  41.085
  692    HB2  HIS  88           HB2      HIS  88   5.832 -13.674  41.440
  693    HB3  HIS  88           HB1      HIS  88   4.297 -13.717  42.308
  694    HD2  HIS  88           HD2      HIS  88   2.029 -14.369  40.683
  695    HE1  HIS  88           HE1      HIS  88   4.272 -15.391  37.256
  696    HE2  HIS  88           HE2      HIS  88   1.962 -15.455  38.309
  697    H    HIS  89           HN       HIS  89   3.280 -10.607  42.942
  698    HA   HIS  89           HA       HIS  89   5.539 -10.212  44.817
  699    HB2  HIS  89           HB2      HIS  89   5.282  -8.158  43.464
  700    HB3  HIS  89           HB1      HIS  89   3.590  -8.058  43.956
  701    HD2  HIS  89           HD2      HIS  89   7.154  -7.459  45.491
  702    HE1  HIS  89           HE1      HIS  89   4.282  -6.304  48.361
  703    HE2  HIS  89           HE2      HIS  89   6.760  -6.313  47.804
  704    H    HIS  90           HN       HIS  90   4.957 -11.209  46.621
  705    HA   HIS  90           HA       HIS  90   3.625 -12.096  48.288
  706    HB2  HIS  90           HB2      HIS  90   2.637  -9.252  48.025
  707    HB3  HIS  90           HB1      HIS  90   2.115 -10.328  49.322
  708    HD2  HIS  90           HD2      HIS  90   3.974 -10.651  51.388
  709    HE1  HIS  90           HE1      HIS  90   7.128  -8.485  49.605
  710    HE2  HIS  90           HE2      HIS  90   6.362  -9.651  51.727
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  -6.237   7.388  15.019
    2    H2   MET   1           HT2      MET   1  -6.472   7.444  16.701
    3    H3   MET   1           HT3      MET   1  -7.353   6.342  15.753
    4    HA   MET   1           HA       MET   1  -5.646   4.890  15.552
    5    HB2  MET   1           HB2      MET   1  -4.211   6.555  14.402
    6    HB3  MET   1           HB1      MET   1  -3.756   7.227  15.969
    7    HG2  MET   1           HG2      MET   1  -2.766   5.092  16.635
    8    HG3  MET   1           HG1      MET   1  -3.292   4.352  15.124
    9    HE1  MET   1           HE1      MET   1  -1.616   8.099  15.582
   10    HE2  MET   1           HE2      MET   1  -0.019   7.420  15.883
   11    HE3  MET   1           HE3      MET   1  -1.376   6.951  16.905
   12    H    GLY   2           HN       GLY   2  -4.686   3.626  17.155
   13    HA2  GLY   2           HA2      GLY   2  -3.750   4.441  19.643
   14    HA3  GLY   2           HA1      GLY   2  -5.479   4.164  19.829
   15    H    GLN   3           HN       GLN   3  -4.555   2.500  21.358
   16    HA   GLN   3           HA       GLN   3  -3.203   0.203  20.418
   17    HB2  GLN   3           HB2      GLN   3  -5.069   0.534  22.781
   18    HB3  GLN   3           HB1      GLN   3  -4.010  -0.850  22.514
   19    HG2  GLN   3           HG2      GLN   3  -3.056   2.017  22.754
   20    HG3  GLN   3           HG1      GLN   3  -3.024   0.843  24.067
   21   HE21  GLN   3          HE21      GLN   3  -0.966   2.216  21.940
   22   HE22  GLN   3          HE22      GLN   3   0.092   0.921  21.654
   23    H    ILE   4           HN       ILE   4  -6.639   0.992  20.716
   24    HA   ILE   4           HA       ILE   4  -7.435  -1.623  19.695
   25    HB   ILE   4           HB       ILE   4  -9.206   0.708  20.257
   26   HG12  ILE   4          HG12      ILE   4  -7.915   0.376  22.272
   27   HG13  ILE   4          HG11      ILE   4  -9.507  -0.335  22.528
   28   HG21  ILE   4          HG21      ILE   4 -10.196  -1.168  19.019
   29   HG22  ILE   4          HG22      ILE   4 -10.878  -1.065  20.643
   30   HG23  ILE   4          HG23      ILE   4  -9.656  -2.283  20.276
   31   HD11  ILE   4          HD11      ILE   4  -7.997  -1.973  23.329
   32   HD12  ILE   4          HD12      ILE   4  -6.896  -1.744  21.971
   33   HD13  ILE   4          HD13      ILE   4  -8.445  -2.550  21.724
   34    H    PHE   5           HN       PHE   5  -7.907  -2.050  17.630
   35    HA   PHE   5           HA       PHE   5  -7.416  -0.103  15.601
   36    HB2  PHE   5           HB2      PHE   5  -8.486  -2.924  15.600
   37    HB3  PHE   5           HB1      PHE   5  -8.424  -1.972  14.117
   38    HD1  PHE   5           HD2      PHE   5  -6.105  -0.709  13.721
   39    HD2  PHE   5           HD1      PHE   5  -6.605  -4.225  16.137
   40    HE1  PHE   5           HE2      PHE   5  -3.695  -1.229  13.465
   41    HE2  PHE   5           HE1      PHE   5  -4.195  -4.745  15.879
   42    HZ   PHE   5           HZ       PHE   5  -2.739  -3.247  14.544
   43    H    THR   6           HN       THR   6  -8.776   1.180  14.505
   44    HA   THR   6           HA       THR   6 -11.462   1.528  15.496
   45    HB   THR   6           HB       THR   6 -10.259   2.858  13.070
   46    HG1  THR   6           HG1      THR   6  -8.900   3.760  14.367
   47   HG21  THR   6          HG21      THR   6 -12.668   3.194  13.513
   48   HG22  THR   6          HG22      THR   6 -11.757   4.687  13.740
   49   HG23  THR   6          HG23      THR   6 -12.283   3.753  15.141
   50    H    VAL   7           HN       VAL   7 -13.386   1.299  14.295
   51    HA   VAL   7           HA       VAL   7 -13.545  -1.006  12.683
   52    HB   VAL   7           HB       VAL   7 -15.482   1.285  13.080
   53   HG11  VAL   7          HG11      VAL   7 -16.144   0.308  11.011
   54   HG12  VAL   7          HG12      VAL   7 -17.156  -0.479  12.223
   55   HG13  VAL   7          HG13      VAL   7 -15.751  -1.320  11.567
   56   HG21  VAL   7          HG21      VAL   7 -15.457  -1.548  14.163
   57   HG22  VAL   7          HG22      VAL   7 -16.587  -0.265  14.598
   58   HG23  VAL   7          HG23      VAL   7 -14.889  -0.138  15.058
   59    H    GLN   8           HN       GLN   8 -13.647   2.448  11.833
   60    HA   GLN   8           HA       GLN   8 -14.045   2.166   9.082
   61    HB2  GLN   8           HB2      GLN   8 -12.611   4.291  10.673
   62    HB3  GLN   8           HB1      GLN   8 -12.896   4.415   8.936
   63    HG2  GLN   8           HG2      GLN   8 -15.308   4.213   9.284
   64    HG3  GLN   8           HG1      GLN   8 -15.060   4.002  11.018
   65   HE21  GLN   8          HE21      GLN   8 -16.626   6.094  10.688
   66   HE22  GLN   8          HE22      GLN   8 -15.801   7.577  10.718
   67    H    GLU   9           HN       GLU   9 -11.047   2.140  10.965
   68    HA   GLU   9           HA       GLU   9  -9.282   2.105   8.745
   69    HB2  GLU   9           HB2      GLU   9  -8.590   2.639  11.070
   70    HB3  GLU   9           HB1      GLU   9  -8.861   0.953  11.512
   71    HG2  GLU   9           HG2      GLU   9  -7.170   0.228   9.894
   72    HG3  GLU   9           HG1      GLU   9  -6.927   1.896   9.375
   73    H    LEU  10           HN       LEU  10 -10.639  -0.493  10.763
   74    HA   LEU  10           HA       LEU  10  -9.404  -2.593   9.279
   75    HB2  LEU  10           HB2      LEU  10 -10.351  -2.647  11.706
   76    HB3  LEU  10           HB1      LEU  10 -11.902  -2.949  10.926
   77    HG   LEU  10           HG       LEU  10 -10.571  -4.814   9.610
   78   HD11  LEU  10          HD11      LEU  10  -8.333  -4.286  10.393
   79   HD12  LEU  10          HD12      LEU  10  -8.806  -5.834  11.086
   80   HD13  LEU  10          HD13      LEU  10  -8.854  -4.378  12.076
   81   HD21  LEU  10          HD21      LEU  10 -11.317  -5.076  12.540
   82   HD22  LEU  10          HD22      LEU  10 -11.073  -6.432  11.440
   83   HD23  LEU  10          HD23      LEU  10 -12.396  -5.300  11.164
   84    H    LYS  11           HN       LYS  11 -12.244  -0.687   8.839
   85    HA   LYS  11           HA       LYS  11 -13.882  -2.431   7.399
   86    HB2  LYS  11           HB2      LYS  11 -14.292   0.017   8.210
   87    HB3  LYS  11           HB1      LYS  11 -13.628   0.480   6.647
   88    HG2  LYS  11           HG2      LYS  11 -15.333  -0.831   5.499
   89    HG3  LYS  11           HG1      LYS  11 -15.950  -1.429   7.039
   90    HD2  LYS  11           HD2      LYS  11 -16.406   0.960   7.694
   91    HD3  LYS  11           HD1      LYS  11 -15.992   1.427   6.042
   92    HE2  LYS  11           HE2      LYS  11 -18.173  -0.528   6.821
   93    HE3  LYS  11           HE1      LYS  11 -18.431   1.136   6.298
   94    HZ1  LYS  11           HZ1      LYS  11 -18.634  -0.668   4.548
   95    HZ2  LYS  11           HZ2      LYS  11 -16.943  -0.808   4.639
   96    HZ3  LYS  11           HZ3      LYS  11 -17.652   0.661   4.162
   97    H    GLU  12           HN       GLU  12 -11.297  -0.280   6.241
   98    HA   GLU  12           HA       GLU  12 -11.580  -0.931   3.496
   99    HB2  GLU  12           HB2      GLU  12 -10.387   1.078   4.319
  100    HB3  GLU  12           HB1      GLU  12  -9.118   0.039   4.967
  101    HG2  GLU  12           HG2      GLU  12  -8.625  -0.808   2.721
  102    HG3  GLU  12           HG1      GLU  12  -9.941   0.154   2.051
  103    H    ARG  13           HN       ARG  13  -9.455  -2.182   6.053
  104    HA   ARG  13           HA       ARG  13  -8.125  -4.054   4.346
  105    HB2  ARG  13           HB2      ARG  13  -8.329  -3.804   7.350
  106    HB3  ARG  13           HB1      ARG  13  -7.371  -5.049   6.547
  107    HG2  ARG  13           HG2      ARG  13  -6.076  -3.315   5.375
  108    HG3  ARG  13           HG1      ARG  13  -7.043  -2.060   6.149
  109    HD2  ARG  13           HD2      ARG  13  -6.270  -2.808   8.360
  110    HD3  ARG  13           HD1      ARG  13  -5.327  -4.090   7.606
  111    HE   ARG  13           HE       ARG  13  -4.641  -1.495   6.582
  112   HH11  ARG  13          HH21      ARG  13  -4.229  -3.723   9.197
  113   HH12  ARG  13          HH22      ARG  13  -2.670  -3.121   9.648
  114   HH21  ARG  13          HH11      ARG  13  -2.593  -0.700   7.166
  115   HH22  ARG  13          HH12      ARG  13  -1.743  -1.410   8.498
  116    H    ALA  14           HN       ALA  14 -11.105  -4.043   6.097
  117    HA   ALA  14           HA       ALA  14 -11.415  -6.884   6.284
  118    HB1  ALA  14           HB1      ALA  14 -13.854  -6.249   6.680
  119    HB2  ALA  14           HB2      ALA  14 -13.332  -4.570   6.533
  120    HB3  ALA  14           HB3      ALA  14 -12.683  -5.586   7.821
  121    H    LYS  15           HN       LYS  15 -11.618  -4.681   3.738
  122    HA   LYS  15           HA       LYS  15 -13.700  -5.791   2.201
  123    HB2  LYS  15           HB2      LYS  15 -11.181  -4.318   1.435
  124    HB3  LYS  15           HB1      LYS  15 -12.433  -4.740   0.272
  125    HG2  LYS  15           HG2      LYS  15 -13.070  -3.188   2.777
  126    HG3  LYS  15           HG1      LYS  15 -12.511  -2.380   1.315
  127    HD2  LYS  15           HD2      LYS  15 -14.387  -3.449   0.057
  128    HD3  LYS  15           HD1      LYS  15 -14.988  -4.114   1.574
  129    HE2  LYS  15           HE2      LYS  15 -15.158  -1.845   2.505
  130    HE3  LYS  15           HE1      LYS  15 -14.600  -1.184   0.970
  131    HZ1  LYS  15           HZ1      LYS  15 -17.200  -1.963   1.700
  132    HZ2  LYS  15           HZ2      LYS  15 -16.678  -2.944   0.414
  133    HZ3  LYS  15           HZ3      LYS  15 -16.677  -1.252   0.252
  134    H    VAL  16           HN       VAL  16 -10.235  -6.540   2.331
  135    HA   VAL  16           HA       VAL  16  -9.007  -8.214   1.362
  136    HB   VAL  16           HB       VAL  16 -10.155  -9.338   3.259
  137   HG11  VAL  16          HG11      VAL  16 -12.461  -9.283   2.725
  138   HG12  VAL  16          HG12      VAL  16 -12.007 -10.978   2.604
  139   HG13  VAL  16          HG13      VAL  16 -12.202 -10.021   1.140
  140   HG21  VAL  16          HG21      VAL  16  -8.561 -10.491   1.488
  141   HG22  VAL  16          HG22      VAL  16 -10.021 -11.384   1.058
  142   HG23  VAL  16          HG23      VAL  16  -9.390 -11.463   2.701
  143    H    PHE  17           HN       PHE  17  -9.324 -10.317  -0.153
  144    HA   PHE  17           HA       PHE  17 -10.645  -9.289  -2.591
  145    HB2  PHE  17           HB2      PHE  17  -8.416 -11.305  -2.200
  146    HB3  PHE  17           HB1      PHE  17  -9.173 -10.954  -3.754
  147    HD1  PHE  17           HD2      PHE  17  -8.955  -8.730  -4.794
  148    HD2  PHE  17           HD1      PHE  17  -6.935  -9.723  -1.138
  149    HE1  PHE  17           HE2      PHE  17  -7.493  -6.745  -5.064
  150    HE2  PHE  17           HE1      PHE  17  -5.473  -7.738  -1.406
  151    HZ   PHE  17           HZ       PHE  17  -5.752  -6.249  -3.369
  152    H    ALA  18           HN       ALA  18 -12.510 -10.183  -3.105
  153    HA   ALA  18           HA       ALA  18 -14.239 -11.689  -3.272
  154    HB1  ALA  18           HB1      ALA  18 -13.699 -13.936  -3.778
  155    HB2  ALA  18           HB2      ALA  18 -12.186 -13.863  -2.874
  156    HB3  ALA  18           HB3      ALA  18 -12.345 -12.991  -4.400
  157    H    LYS  19           HN       LYS  19 -15.680 -11.921  -1.685
  158    HA   LYS  19           HA       LYS  19 -15.033 -13.556   0.641
  159    HB2  LYS  19           HB2      LYS  19 -14.314 -11.326   1.330
  160    HB3  LYS  19           HB1      LYS  19 -15.911 -10.682   0.947
  161    HG2  LYS  19           HG2      LYS  19 -16.854 -11.534   2.863
  162    HG3  LYS  19           HG1      LYS  19 -15.993 -13.064   2.725
  163    HD2  LYS  19           HD2      LYS  19 -13.980 -12.079   3.654
  164    HD3  LYS  19           HD1      LYS  19 -14.727 -10.479   3.680
  165    HE2  LYS  19           HE2      LYS  19 -14.781 -11.613   5.913
  166    HE3  LYS  19           HE1      LYS  19 -16.387 -11.231   5.295
  167    HZ1  LYS  19           HZ1      LYS  19 -16.000 -13.552   6.224
  168    HZ2  LYS  19           HZ2      LYS  19 -15.131 -13.858   4.797
  169    HZ3  LYS  19           HZ3      LYS  19 -16.775 -13.438   4.719
  170    HA   PRO  20           HA       PRO  20 -19.305 -14.620  -0.612
  171    HB2  PRO  20           HB2      PRO  20 -19.198 -16.078   2.007
  172    HB3  PRO  20           HB1      PRO  20 -19.722 -16.660   0.414
  173    HG2  PRO  20           HG2      PRO  20 -17.359 -17.353   1.456
  174    HG3  PRO  20           HG1      PRO  20 -17.572 -17.087  -0.283
  175    HD2  PRO  20           HD2      PRO  20 -16.204 -15.353   1.731
  176    HD3  PRO  20           HD1      PRO  20 -15.882 -15.550  -0.006
  177    H    ILE  21           HN       ILE  21 -21.290 -13.788  -0.071
  178    HA   ILE  21           HA       ILE  21 -21.399 -11.702   1.903
  179    HB   ILE  21           HB       ILE  21 -22.623 -11.598  -0.269
  180   HG12  ILE  21          HG12      ILE  21 -24.499 -11.574   2.116
  181   HG13  ILE  21          HG11      ILE  21 -23.306 -10.308   1.804
  182   HG21  ILE  21          HG21      ILE  21 -23.274 -14.066  -0.159
  183   HG22  ILE  21          HG22      ILE  21 -24.551 -12.959  -0.660
  184   HG23  ILE  21          HG23      ILE  21 -24.525 -13.589   0.987
  185   HD11  ILE  21          HD11      ILE  21 -25.400  -9.572   0.858
  186   HD12  ILE  21          HD12      ILE  21 -25.628 -11.112   0.031
  187   HD13  ILE  21          HD13      ILE  21 -24.344 -10.017  -0.482
  188    H    GLY  22           HN       GLY  22 -22.315 -11.722   3.892
  189    HA2  GLY  22           HA2      GLY  22 -24.047 -13.878   4.759
  190    HA3  GLY  22           HA1      GLY  22 -22.449 -13.893   5.501
  191    H    ALA  23           HN       ALA  23 -22.312 -10.909   5.326
  192    HA   ALA  23           HA       ALA  23 -22.809  -9.073   6.612
  193    HB1  ALA  23           HB1      ALA  23 -25.175  -9.719   5.760
  194    HB2  ALA  23           HB2      ALA  23 -25.047  -8.636   7.146
  195    HB3  ALA  23           HB3      ALA  23 -25.426 -10.342   7.390
  196    H    SER  24           HN       SER  24 -22.534 -12.179   7.786
  197    HA   SER  24           HA       SER  24 -22.956 -11.652  10.586
  198    HB2  SER  24           HB2      SER  24 -21.949 -13.889  10.895
  199    HB3  SER  24           HB1      SER  24 -23.236 -13.909   9.694
  200    HG   SER  24           HG       SER  24 -21.566 -13.697   8.096
  201    H    TYR  25           HN       TYR  25 -20.427 -11.098   8.350
  202    HA   TYR  25           HA       TYR  25 -18.251 -11.189  10.239
  203    HB2  TYR  25           HB2      TYR  25 -16.922 -10.235   8.430
  204    HB3  TYR  25           HB1      TYR  25 -17.914 -11.555   7.810
  205    HD1  TYR  25           HD1      TYR  25 -17.446  -7.901   7.894
  206    HD2  TYR  25           HD2      TYR  25 -19.821 -11.130   6.350
  207    HE1  TYR  25           HE1      TYR  25 -18.487  -6.353   6.259
  208    HE2  TYR  25           HE2      TYR  25 -20.861  -9.582   4.715
  209    HH   TYR  25           HH       TYR  25 -19.636  -6.419   4.143
  210    H    GLN  26           HN       GLN  26 -20.620  -8.866   9.257
  211    HA   GLN  26           HA       GLN  26 -19.254  -6.484   9.952
  212    HB2  GLN  26           HB2      GLN  26 -21.349  -6.575   8.601
  213    HB3  GLN  26           HB1      GLN  26 -22.233  -7.011  10.063
  214    HG2  GLN  26           HG2      GLN  26 -21.525  -4.914  11.134
  215    HG3  GLN  26           HG1      GLN  26 -20.604  -4.480   9.696
  216   HE21  GLN  26          HE21      GLN  26 -23.119  -5.968   8.303
  217   HE22  GLN  26          HE22      GLN  26 -24.216  -4.681   8.161
  218    H    GLY  27           HN       GLY  27 -21.043  -8.852  11.811
  219    HA2  GLY  27           HA2      GLY  27 -21.446  -7.371  14.174
  220    HA3  GLY  27           HA1      GLY  27 -21.357  -9.127  14.073
  221    H    ILE  28           HN       ILE  28 -18.657  -9.088  12.916
  222    HA   ILE  28           HA       ILE  28 -17.164  -9.179  15.337
  223    HB   ILE  28           HB       ILE  28 -16.140  -9.145  12.489
  224   HG12  ILE  28          HG12      ILE  28 -16.854 -11.494  14.272
  225   HG13  ILE  28          HG11      ILE  28 -17.866 -10.905  12.955
  226   HG21  ILE  28          HG21      ILE  28 -14.393  -8.754  14.174
  227   HG22  ILE  28          HG22      ILE  28 -14.224 -10.370  13.493
  228   HG23  ILE  28          HG23      ILE  28 -14.943 -10.158  15.088
  229   HD11  ILE  28          HD11      ILE  28 -15.117 -12.143  12.783
  230   HD12  ILE  28          HD12      ILE  28 -15.807 -11.217  11.451
  231   HD13  ILE  28          HD13      ILE  28 -16.607 -12.686  12.010
  232    H    LEU  29           HN       LEU  29 -17.758  -6.704  12.972
  233    HA   LEU  29           HA       LEU  29 -15.551  -5.025  13.925
  234    HB2  LEU  29           HB2      LEU  29 -17.566  -4.839  11.693
  235    HB3  LEU  29           HB1      LEU  29 -16.670  -3.407  12.201
  236    HG   LEU  29           HG       LEU  29 -14.545  -4.630  11.848
  237   HD11  LEU  29          HD11      LEU  29 -14.768  -6.794  10.481
  238   HD12  LEU  29          HD12      LEU  29 -16.449  -6.822  11.013
  239   HD13  LEU  29          HD13      LEU  29 -15.146  -6.903  12.199
  240   HD21  LEU  29          HD21      LEU  29 -16.311  -4.816   9.392
  241   HD22  LEU  29          HD22      LEU  29 -14.573  -4.517   9.441
  242   HD23  LEU  29          HD23      LEU  29 -15.697  -3.287  10.021
  243    H    ASP  30           HN       ASP  30 -19.042  -5.292  14.138
  244    HA   ASP  30           HA       ASP  30 -19.588  -2.748  15.234
  245    HB2  ASP  30           HB2      ASP  30 -21.005  -5.406  15.470
  246    HB3  ASP  30           HB1      ASP  30 -21.626  -3.928  16.206
  247    H    GLN  31           HN       GLN  31 -18.593  -5.802  16.711
  248    HA   GLN  31           HA       GLN  31 -18.938  -5.007  19.405
  249    HB2  GLN  31           HB2      GLN  31 -17.192  -7.092  18.105
  250    HB3  GLN  31           HB1      GLN  31 -17.222  -6.847  19.853
  251    HG2  GLN  31           HG2      GLN  31 -19.641  -7.233  19.878
  252    HG3  GLN  31           HG1      GLN  31 -19.639  -7.457  18.128
  253   HE21  GLN  31          HE21      GLN  31 -20.588  -9.678  19.072
  254   HE22  GLN  31          HE22      GLN  31 -19.433 -10.896  19.324
  255    H    LEU  32           HN       LEU  32 -16.367  -4.457  17.089
  256    HA   LEU  32           HA       LEU  32 -14.310  -3.785  18.894
  257    HB2  LEU  32           HB2      LEU  32 -14.868  -2.683  16.129
  258    HB3  LEU  32           HB1      LEU  32 -13.341  -2.536  16.997
  259    HG   LEU  32           HG       LEU  32 -14.656  -5.157  16.225
  260   HD11  LEU  32          HD11      LEU  32 -13.690  -3.665  14.358
  261   HD12  LEU  32          HD12      LEU  32 -13.089  -5.320  14.455
  262   HD13  LEU  32          HD13      LEU  32 -12.115  -3.991  15.082
  263   HD21  LEU  32          HD21      LEU  32 -12.159  -5.884  16.775
  264   HD22  LEU  32          HD22      LEU  32 -13.345  -5.723  18.066
  265   HD23  LEU  32          HD23      LEU  32 -12.180  -4.431  17.778
  266    H    ASP  33           HN       ASP  33 -16.806  -1.783  17.332
  267    HA   ASP  33           HA       ASP  33 -16.008   0.661  18.540
  268    HB2  ASP  33           HB2      ASP  33 -17.444   0.653  16.577
  269    HB3  ASP  33           HB1      ASP  33 -18.702  -0.204  17.467
  270    H    LEU  34           HN       LEU  34 -18.377  -1.829  19.444
  271    HA   LEU  34           HA       LEU  34 -19.416  -0.495  21.706
  272    HB2  LEU  34           HB2      LEU  34 -20.557  -2.413  20.690
  273    HB3  LEU  34           HB1      LEU  34 -19.215  -3.462  21.136
  274    HG   LEU  34           HG       LEU  34 -19.645  -3.060  23.516
  275   HD11  LEU  34          HD11      LEU  34 -21.942  -1.849  23.976
  276   HD12  LEU  34          HD12      LEU  34 -21.633  -1.083  22.417
  277   HD13  LEU  34          HD13      LEU  34 -20.484  -0.893  23.741
  278   HD21  LEU  34          HD21      LEU  34 -20.821  -4.928  22.614
  279   HD22  LEU  34          HD22      LEU  34 -22.018  -3.891  21.836
  280   HD23  LEU  34          HD23      LEU  34 -21.995  -4.049  23.593
  281    H    VAL  35           HN       VAL  35 -16.774  -2.852  21.347
  282    HA   VAL  35           HA       VAL  35 -16.143  -3.196  24.045
  283    HB   VAL  35           HB       VAL  35 -14.436  -3.259  21.554
  284   HG11  VAL  35          HG11      VAL  35 -13.644  -3.696  24.439
  285   HG12  VAL  35          HG12      VAL  35 -12.823  -2.731  23.210
  286   HG13  VAL  35          HG13      VAL  35 -12.781  -4.492  23.120
  287   HG21  VAL  35          HG21      VAL  35 -16.279  -5.018  22.213
  288   HG22  VAL  35          HG22      VAL  35 -15.085  -5.557  23.393
  289   HG23  VAL  35          HG23      VAL  35 -14.699  -5.586  21.674
  290    H    HIS  36           HN       HIS  36 -15.649  -0.454  21.981
  291    HA   HIS  36           HA       HIS  36 -13.593   0.754  23.612
  292    HB2  HIS  36           HB2      HIS  36 -13.800   1.226  21.189
  293    HB3  HIS  36           HB1      HIS  36 -15.360   1.990  21.488
  294    HD2  HIS  36           HD2      HIS  36 -15.184   4.650  22.234
  295    HE1  HIS  36           HE1      HIS  36 -11.043   4.738  23.048
  296    HE2  HIS  36           HE2      HIS  36 -13.145   6.152  22.874
  297    H    GLN  37           HN       GLN  37 -17.046   1.417  23.011
  298    HA   GLN  37           HA       GLN  37 -17.139   3.245  25.295
  299    HB2  GLN  37           HB2      GLN  37 -19.466   3.647  24.562
  300    HB3  GLN  37           HB1      GLN  37 -18.307   3.913  23.260
  301    HG2  GLN  37           HG2      GLN  37 -18.772   1.663  22.374
  302    HG3  GLN  37           HG1      GLN  37 -19.920   1.380  23.681
  303   HE21  GLN  37          HE21      GLN  37 -20.393   1.569  20.684
  304   HE22  GLN  37          HE22      GLN  37 -21.581   2.771  20.514
  305    H    ALA  38           HN       ALA  38 -17.089   0.033  25.100
  306    HA   ALA  38           HA       ALA  38 -19.431  -0.759  26.520
  307    HB1  ALA  38           HB1      ALA  38 -18.346  -2.505  25.375
  308    HB2  ALA  38           HB2      ALA  38 -17.924  -2.808  27.059
  309    HB3  ALA  38           HB3      ALA  38 -16.759  -2.038  25.982
  310    H    LYS  39           HN       LYS  39 -19.717  -1.178  28.697
  311    HA   LYS  39           HA       LYS  39 -18.276   0.497  30.516
  312    HB2  LYS  39           HB2      LYS  39 -20.661   0.038  30.819
  313    HB3  LYS  39           HB1      LYS  39 -20.326  -1.681  31.015
  314    HG2  LYS  39           HG2      LYS  39 -18.760   0.087  32.834
  315    HG3  LYS  39           HG1      LYS  39 -20.498   0.115  33.110
  316    HD2  LYS  39           HD2      LYS  39 -20.591  -2.213  33.541
  317    HD3  LYS  39           HD1      LYS  39 -18.998  -2.489  32.841
  318    HE2  LYS  39           HE2      LYS  39 -18.914  -2.549  35.320
  319    HE3  LYS  39           HE1      LYS  39 -17.960  -1.210  34.681
  320    HZ1  LYS  39           HZ1      LYS  39 -20.621  -1.124  35.959
  321    HZ2  LYS  39           HZ2      LYS  39 -20.071   0.149  34.977
  322    HZ3  LYS  39           HZ3      LYS  39 -19.217  -0.275  36.385
  323    H    GLY  40           HN       GLY  40 -16.952  -0.149  32.264
  324    HA2  GLY  40           HA2      GLY  40 -14.850  -1.754  31.910
  325    HA3  GLY  40           HA1      GLY  40 -15.570  -1.568  33.503
  326    H    ARG  41           HN       ARG  41 -17.510  -3.066  33.900
  327    HA   ARG  41           HA       ARG  41 -16.684  -5.737  33.759
  328    HB2  ARG  41           HB2      ARG  41 -18.329  -4.844  35.399
  329    HB3  ARG  41           HB1      ARG  41 -19.512  -4.702  34.100
  330    HG2  ARG  41           HG2      ARG  41 -19.308  -7.155  33.685
  331    HG3  ARG  41           HG1      ARG  41 -18.204  -7.267  35.055
  332    HD2  ARG  41           HD2      ARG  41 -21.036  -6.208  35.224
  333    HD3  ARG  41           HD1      ARG  41 -20.564  -7.852  35.641
  334    HE   ARG  41           HE       ARG  41 -20.163  -5.501  37.244
  335   HH11  ARG  41          HH21      ARG  41 -18.922  -8.616  36.388
  336   HH12  ARG  41          HH22      ARG  41 -18.103  -8.857  37.895
  337   HH21  ARG  41          HH11      ARG  41 -19.091  -5.809  39.220
  338   HH22  ARG  41          HH12      ARG  41 -18.198  -7.267  39.499
  339    H    ASP  42           HN       ASP  42 -18.978  -3.929  31.747
  340    HA   ASP  42           HA       ASP  42 -19.830  -6.107  30.158
  341    HB2  ASP  42           HB2      ASP  42 -20.945  -3.845  30.327
  342    HB3  ASP  42           HB1      ASP  42 -19.667  -3.215  29.288
  343    H    GLN  43           HN       GLN  43 -17.016  -4.052  30.041
  344    HA   GLN  43           HA       GLN  43 -16.247  -4.586  27.373
  345    HB2  GLN  43           HB2      GLN  43 -15.371  -2.700  28.767
  346    HB3  GLN  43           HB1      GLN  43 -14.446  -3.881  29.697
  347    HG2  GLN  43           HG2      GLN  43 -13.263  -4.589  27.673
  348    HG3  GLN  43           HG1      GLN  43 -14.222  -3.473  26.701
  349   HE21  GLN  43          HE21      GLN  43 -11.390  -3.236  26.758
  350   HE22  GLN  43          HE22      GLN  43 -10.978  -1.807  27.574
  351    H    ILE  44           HN       ILE  44 -15.592  -6.158  30.450
  352    HA   ILE  44           HA       ILE  44 -13.608  -7.965  29.557
  353    HB   ILE  44           HB       ILE  44 -15.591  -8.132  31.839
  354   HG12  ILE  44          HG12      ILE  44 -12.605  -7.602  31.869
  355   HG13  ILE  44          HG11      ILE  44 -13.812  -6.312  31.822
  356   HG21  ILE  44          HG21      ILE  44 -13.330  -9.958  31.013
  357   HG22  ILE  44          HG22      ILE  44 -14.987 -10.386  31.439
  358   HG23  ILE  44          HG23      ILE  44 -13.863  -9.858  32.691
  359   HD11  ILE  44          HD11      ILE  44 -13.485  -8.418  33.977
  360   HD12  ILE  44          HD12      ILE  44 -14.839  -7.293  33.899
  361   HD13  ILE  44          HD13      ILE  44 -13.200  -6.686  34.138
  362    H    ALA  45           HN       ALA  45 -17.146  -8.249  29.812
  363    HA   ALA  45           HA       ALA  45 -17.331 -10.937  28.983
  364    HB1  ALA  45           HB1      ALA  45 -19.352  -8.723  28.564
  365    HB2  ALA  45           HB2      ALA  45 -19.184  -9.672  30.041
  366    HB3  ALA  45           HB3      ALA  45 -19.677 -10.457  28.541
  367    H    ALA  46           HN       ALA  46 -17.208  -7.913  27.175
  368    HA   ALA  46           HA       ALA  46 -17.831  -8.948  24.623
  369    HB1  ALA  46           HB1      ALA  46 -16.046  -6.588  25.247
  370    HB2  ALA  46           HB2      ALA  46 -17.808  -6.518  25.275
  371    HB3  ALA  46           HB3      ALA  46 -16.964  -6.875  23.768
  372    H    SER  47           HN       SER  47 -14.807  -8.671  26.425
  373    HA   SER  47           HA       SER  47 -13.058  -9.279  24.321
  374    HB2  SER  47           HB2      SER  47 -11.420  -9.797  26.027
  375    HB3  SER  47           HB1      SER  47 -12.360  -8.400  26.546
  376    HG   SER  47           HG       SER  47 -13.322 -10.914  27.239
  377    H    PHE  48           HN       PHE  48 -14.748 -11.374  26.618
  378    HA   PHE  48           HA       PHE  48 -13.565 -13.802  25.776
  379    HB2  PHE  48           HB2      PHE  48 -16.138 -13.144  27.207
  380    HB3  PHE  48           HB1      PHE  48 -15.727 -14.804  26.779
  381    HD1  PHE  48           HD2      PHE  48 -13.425 -15.690  27.512
  382    HD2  PHE  48           HD1      PHE  48 -15.228 -12.161  29.168
  383    HE1  PHE  48           HE2      PHE  48 -11.938 -15.859  29.488
  384    HE2  PHE  48           HE1      PHE  48 -13.736 -12.333  31.147
  385    HZ   PHE  48           HZ       PHE  48 -12.094 -14.181  31.305
  386    H    GLU  49           HN       GLU  49 -16.360 -11.985  24.632
  387    HA   GLU  49           HA       GLU  49 -17.437 -13.993  22.956
  388    HB2  GLU  49           HB2      GLU  49 -18.580 -11.858  23.655
  389    HB3  GLU  49           HB1      GLU  49 -17.547 -11.004  22.509
  390    HG2  GLU  49           HG2      GLU  49 -19.608 -11.472  21.371
  391    HG3  GLU  49           HG1      GLU  49 -18.401 -12.579  20.720
  392    H    LEU  50           HN       LEU  50 -15.272 -11.256  22.220
  393    HA   LEU  50           HA       LEU  50 -14.864 -11.928  19.511
  394    HB2  LEU  50           HB2      LEU  50 -13.242 -10.295  21.459
  395    HB3  LEU  50           HB1      LEU  50 -12.792 -10.473  19.767
  396    HG   LEU  50           HG       LEU  50 -15.544  -9.533  20.613
  397   HD11  LEU  50          HD11      LEU  50 -14.100  -7.903  21.562
  398   HD12  LEU  50          HD12      LEU  50 -14.590  -7.224  20.009
  399   HD13  LEU  50          HD13      LEU  50 -12.999  -7.962  20.186
  400   HD21  LEU  50          HD21      LEU  50 -13.957  -9.554  18.030
  401   HD22  LEU  50          HD22      LEU  50 -15.275  -8.411  18.266
  402   HD23  LEU  50          HD23      LEU  50 -15.596 -10.139  18.316
  403    H    ASN  51           HN       ASN  51 -13.174 -12.869  22.455
  404    HA   ASN  51           HA       ASN  51 -10.869 -13.984  21.421
  405    HB2  ASN  51           HB2      ASN  51 -12.622 -14.930  23.692
  406    HB3  ASN  51           HB1      ASN  51 -11.016 -15.578  23.365
  407   HD21  ASN  51          HD21      ASN  51 -10.573 -12.514  22.397
  408   HD22  ASN  51          HD22      ASN  51 -10.134 -11.778  23.862
  409    H    LYS  52           HN       LYS  52 -14.040 -15.585  21.821
  410    HA   LYS  52           HA       LYS  52 -13.229 -18.045  20.670
  411    HB2  LYS  52           HB2      LYS  52 -15.882 -16.758  21.255
  412    HB3  LYS  52           HB1      LYS  52 -15.843 -18.198  20.242
  413    HG2  LYS  52           HG2      LYS  52 -16.148 -19.061  22.411
  414    HG3  LYS  52           HG1      LYS  52 -14.425 -19.261  22.140
  415    HD2  LYS  52           HD2      LYS  52 -14.370 -18.284  24.242
  416    HD3  LYS  52           HD1      LYS  52 -14.327 -16.826  23.256
  417    HE2  LYS  52           HE2      LYS  52 -16.015 -16.581  25.010
  418    HE3  LYS  52           HE1      LYS  52 -16.818 -16.680  23.441
  419    HZ1  LYS  52           HZ1      LYS  52 -16.354 -19.240  24.660
  420    HZ2  LYS  52           HZ2      LYS  52 -17.774 -18.606  23.973
  421    HZ3  LYS  52           HZ3      LYS  52 -17.368 -18.240  25.582
  422    H    LYS  53           HN       LYS  53 -14.775 -15.160  19.287
  423    HA   LYS  53           HA       LYS  53 -15.164 -16.207  16.694
  424    HB2  LYS  53           HB2      LYS  53 -14.776 -13.387  17.699
  425    HB3  LYS  53           HB1      LYS  53 -15.165 -13.767  16.023
  426    HG2  LYS  53           HG2      LYS  53 -17.214 -14.887  16.709
  427    HG3  LYS  53           HG1      LYS  53 -16.817 -14.623  18.410
  428    HD2  LYS  53           HD2      LYS  53 -16.999 -12.247  18.173
  429    HD3  LYS  53           HD1      LYS  53 -17.100 -12.369  16.418
  430    HE2  LYS  53           HE2      LYS  53 -19.325 -12.004  17.389
  431    HE3  LYS  53           HE1      LYS  53 -19.226 -13.588  16.623
  432    HZ1  LYS  53           HZ1      LYS  53 -19.585 -12.908  19.398
  433    HZ2  LYS  53           HZ2      LYS  53 -18.408 -14.104  19.134
  434    HZ3  LYS  53           HZ3      LYS  53 -19.994 -14.329  18.568
  435    H    ILE  54           HN       ILE  54 -12.487 -14.254  18.030
  436    HA   ILE  54           HA       ILE  54 -10.938 -14.333  15.635
  437    HB   ILE  54           HB       ILE  54 -10.211 -13.720  18.507
  438   HG12  ILE  54          HG12      ILE  54 -10.453 -11.897  16.096
  439   HG13  ILE  54          HG11      ILE  54 -11.776 -12.188  17.224
  440   HG21  ILE  54          HG21      ILE  54  -8.161 -12.641  17.299
  441   HG22  ILE  54          HG22      ILE  54  -8.541 -13.762  15.994
  442   HG23  ILE  54          HG23      ILE  54  -8.144 -14.381  17.594
  443   HD11  ILE  54          HD11      ILE  54 -10.309 -11.403  19.087
  444   HD12  ILE  54          HD12      ILE  54 -10.599 -10.152  17.877
  445   HD13  ILE  54          HD13      ILE  54  -9.062 -11.015  17.902
  446    H    ASN  55           HN       ASN  55 -10.859 -16.179  18.670
  447    HA   ASN  55           HA       ASN  55  -8.617 -17.764  18.037
  448    HB2  ASN  55           HB2      ASN  55  -9.508 -17.596  20.313
  449    HB3  ASN  55           HB1      ASN  55 -10.987 -18.414  19.808
  450   HD21  ASN  55          HD21      ASN  55 -10.714 -20.340  21.060
  451   HD22  ASN  55          HD22      ASN  55  -9.433 -21.425  20.805
  452    H    ASP  56           HN       ASP  56 -12.092 -18.297  17.549
  453    HA   ASP  56           HA       ASP  56 -11.864 -20.891  16.426
  454    HB2  ASP  56           HB2      ASP  56 -13.980 -20.000  17.312
  455    HB3  ASP  56           HB1      ASP  56 -14.019 -18.804  16.017
  456    H    TYR  57           HN       TYR  57 -11.833 -17.646  15.040
  457    HA   TYR  57           HA       TYR  57 -12.016 -18.329  12.327
  458    HB2  TYR  57           HB2      TYR  57 -12.159 -16.009  13.289
  459    HB3  TYR  57           HB1      TYR  57 -10.406 -16.042  13.478
  460    HD1  TYR  57           HD2      TYR  57 -13.179 -16.172  11.026
  461    HD2  TYR  57           HD1      TYR  57  -8.934 -15.802  11.580
  462    HE1  TYR  57           HE2      TYR  57 -12.925 -15.526   8.646
  463    HE2  TYR  57           HE1      TYR  57  -8.684 -15.153   9.196
  464    HH   TYR  57           HH       TYR  57 -11.100 -15.596   6.908
  465    H    ILE  58           HN       ILE  58  -9.207 -18.080  14.476
  466    HA   ILE  58           HA       ILE  58  -7.213 -18.499  12.523
  467    HB   ILE  58           HB       ILE  58  -7.254 -19.101  15.491
  468   HG12  ILE  58          HG12      ILE  58  -5.873 -16.881  13.954
  469   HG13  ILE  58          HG11      ILE  58  -7.480 -16.703  14.673
  470   HG21  ILE  58          HG21      ILE  58  -5.028 -19.242  13.445
  471   HG22  ILE  58          HG22      ILE  58  -5.538 -20.493  14.580
  472   HG23  ILE  58          HG23      ILE  58  -4.712 -19.050  15.169
  473   HD11  ILE  58          HD11      ILE  58  -6.483 -17.379  16.885
  474   HD12  ILE  58          HD12      ILE  58  -5.854 -15.856  16.257
  475   HD13  ILE  58          HD13      ILE  58  -4.892 -17.327  16.126
  476    H    ALA  59           HN       ALA  59  -9.008 -20.758  14.597
  477    HA   ALA  59           HA       ALA  59  -7.654 -23.108  13.838
  478    HB1  ALA  59           HB1      ALA  59  -9.151 -23.044  15.768
  479    HB2  ALA  59           HB2      ALA  59  -9.687 -24.281  14.632
  480    HB3  ALA  59           HB3      ALA  59 -10.529 -22.734  14.712
  481    H    GLU  60           HN       GLU  60 -10.441 -21.440  12.433
  482    HA   GLU  60           HA       GLU  60 -10.912 -23.449  10.430
  483    HB2  GLU  60           HB2      GLU  60 -11.895 -20.604  10.734
  484    HB3  GLU  60           HB1      GLU  60 -12.422 -21.696   9.452
  485    HG2  GLU  60           HG2      GLU  60 -13.261 -23.289  11.112
  486    HG3  GLU  60           HG1      GLU  60 -12.672 -22.265  12.420
  487    H    HIS  61           HN       HIS  61  -8.485 -21.229  10.823
  488    HA   HIS  61           HA       HIS  61  -7.949 -21.094   7.902
  489    HB2  HIS  61           HB2      HIS  61  -7.529 -18.996  10.037
  490    HB3  HIS  61           HB1      HIS  61  -6.742 -18.933   8.459
  491    HD2  HIS  61           HD2      HIS  61  -8.311 -17.701   6.543
  492    HE1  HIS  61           HE1      HIS  61 -12.062 -18.227   8.410
  493    HE2  HIS  61           HE2      HIS  61 -10.875 -17.219   6.404
  494    HA   PRO  62           HA       PRO  62  -4.477 -23.160  10.290
  495    HB2  PRO  62           HB2      PRO  62  -4.358 -25.453   8.779
  496    HB3  PRO  62           HB1      PRO  62  -5.413 -25.271  10.195
  497    HG2  PRO  62           HG2      PRO  62  -6.086 -25.044   7.297
  498    HG3  PRO  62           HG1      PRO  62  -7.008 -25.794   8.613
  499    HD2  PRO  62           HD2      PRO  62  -7.585 -23.309   7.624
  500    HD3  PRO  62           HD1      PRO  62  -7.916 -23.771   9.307
  501    H    THR  63           HN       THR  63  -5.140 -22.254   7.048
  502    HA   THR  63           HA       THR  63  -2.429 -22.695   6.068
  503    HB   THR  63           HB       THR  63  -3.262 -21.796   3.972
  504    HG1  THR  63           HG1      THR  63  -5.829 -21.452   4.916
  505   HG21  THR  63          HG21      THR  63  -3.820 -24.136   4.536
  506   HG22  THR  63          HG22      THR  63  -5.083 -23.394   3.554
  507   HG23  THR  63          HG23      THR  63  -5.316 -23.591   5.292
  508    H    SER  64           HN       SER  64  -3.906 -20.425   7.988
  509    HA   SER  64           HA       SER  64  -3.342 -18.308   8.677
  510    HB2  SER  64           HB2      SER  64  -1.102 -19.466   8.871
  511    HB3  SER  64           HB1      SER  64  -0.708 -18.814   7.283
  512    HG   SER  64           HG       SER  64  -0.292 -16.994   8.227
  513    H    GLY  65           HN       GLY  65  -3.300 -16.166   7.969
  514    HA2  GLY  65           HA2      GLY  65  -2.579 -15.167   5.498
  515    HA3  GLY  65           HA1      GLY  65  -4.230 -15.744   5.301
  516    H    ARG  66           HN       ARG  66  -5.898 -14.557   6.090
  517    HA   ARG  66           HA       ARG  66  -5.306 -11.863   7.001
  518    HB2  ARG  66           HB2      ARG  66  -7.762 -13.351   6.112
  519    HB3  ARG  66           HB1      ARG  66  -7.957 -11.858   7.028
  520    HG2  ARG  66           HG2      ARG  66  -7.957 -11.367   4.627
  521    HG3  ARG  66           HG1      ARG  66  -6.516 -10.681   5.377
  522    HD2  ARG  66           HD2      ARG  66  -5.166 -12.551   4.604
  523    HD3  ARG  66           HD1      ARG  66  -6.594 -13.366   3.976
  524    HE   ARG  66           HE       ARG  66  -6.594 -11.889   2.154
  525   HH11  ARG  66          HH21      ARG  66  -4.279 -10.981   4.567
  526   HH12  ARG  66          HH22      ARG  66  -3.472  -9.833   3.552
  527   HH21  ARG  66          HH11      ARG  66  -5.542 -10.388   0.826
  528   HH22  ARG  66          HH12      ARG  66  -4.187  -9.497   1.435
  529    H    ASN  67           HN       ASN  67  -5.809 -14.860   8.458
  530    HA   ASN  67           HA       ASN  67  -7.287 -14.109  10.767
  531    HB2  ASN  67           HB2      ASN  67  -6.513 -16.200  11.720
  532    HB3  ASN  67           HB1      ASN  67  -6.934 -16.463  10.029
  533   HD21  ASN  67          HD21      ASN  67  -4.872 -17.824  11.883
  534   HD22  ASN  67          HD22      ASN  67  -3.430 -17.765  10.989
  535    H    GLN  68           HN       GLN  68  -4.032 -13.571   9.789
  536    HA   GLN  68           HA       GLN  68  -2.792 -13.352  12.327
  537    HB2  GLN  68           HB2      GLN  68  -2.175 -12.322   9.568
  538    HB3  GLN  68           HB1      GLN  68  -1.240 -11.722  10.937
  539    HG2  GLN  68           HG2      GLN  68  -0.095 -13.645   9.978
  540    HG3  GLN  68           HG1      GLN  68  -0.722 -14.088  11.564
  541   HE21  GLN  68          HE21      GLN  68  -1.638 -16.138  11.517
  542   HE22  GLN  68          HE22      GLN  68  -2.497 -16.791  10.207
  543    H    ALA  69           HN       ALA  69  -4.684 -11.104  10.383
  544    HA   ALA  69           HA       ALA  69  -4.097  -8.793  11.965
  545    HB1  ALA  69           HB1      ALA  69  -6.498  -9.292  10.192
  546    HB2  ALA  69           HB2      ALA  69  -4.935  -8.713   9.612
  547    HB3  ALA  69           HB3      ALA  69  -5.883  -7.726  10.726
  548    H    LEU  70           HN       LEU  70  -6.707 -11.189  11.952
  549    HA   LEU  70           HA       LEU  70  -8.319  -9.923  13.912
  550    HB2  LEU  70           HB2      LEU  70  -8.112 -12.722  12.831
  551    HB3  LEU  70           HB1      LEU  70  -9.138 -12.397  14.225
  552    HG   LEU  70           HG       LEU  70 -10.391 -10.727  12.975
  553   HD11  LEU  70          HD11      LEU  70  -8.341 -11.326  10.834
  554   HD12  LEU  70          HD12      LEU  70  -8.705  -9.768  11.577
  555   HD13  LEU  70          HD13      LEU  70  -9.870 -10.518  10.484
  556   HD21  LEU  70          HD21      LEU  70 -11.532 -12.202  11.478
  557   HD22  LEU  70          HD22      LEU  70 -10.879 -13.231  12.754
  558   HD23  LEU  70          HD23      LEU  70 -10.071 -13.148  11.189
  559    H    THR  71           HN       THR  71  -5.675 -12.258  14.126
  560    HA   THR  71           HA       THR  71  -5.893 -12.925  16.829
  561    HB   THR  71           HB       THR  71  -3.273 -12.584  15.370
  562    HG1  THR  71           HG1      THR  71  -3.997 -14.013  14.039
  563   HG21  THR  71          HG21      THR  71  -3.089 -13.150  17.732
  564   HG22  THR  71          HG22      THR  71  -2.687 -14.571  16.766
  565   HG23  THR  71          HG23      THR  71  -4.266 -14.449  17.542
  566    H    GLN  72           HN       GLN  72  -4.461 -10.117  15.271
  567    HA   GLN  72           HA       GLN  72  -3.073  -9.067  17.484
  568    HB2  GLN  72           HB2      GLN  72  -4.379  -7.700  15.130
  569    HB3  GLN  72           HB1      GLN  72  -3.319  -6.884  16.278
  570    HG2  GLN  72           HG2      GLN  72  -2.528  -9.317  14.653
  571    HG3  GLN  72           HG1      GLN  72  -2.130  -7.658  14.211
  572   HE21  GLN  72          HE21      GLN  72  -0.778 -10.311  15.651
  573   HE22  GLN  72          HE22      GLN  72   0.311  -9.542  16.702
  574    H    LEU  73           HN       LEU  73  -6.452  -8.740  16.461
  575    HA   LEU  73           HA       LEU  73  -7.190  -6.721  18.289
  576    HB2  LEU  73           HB2      LEU  73  -8.701  -8.871  16.826
  577    HB3  LEU  73           HB1      LEU  73  -9.530  -7.856  17.997
  578    HG   LEU  73           HG       LEU  73  -7.851  -6.651  15.786
  579   HD11  LEU  73          HD11      LEU  73 -10.703  -7.644  15.686
  580   HD12  LEU  73          HD12      LEU  73  -9.398  -7.939  14.537
  581   HD13  LEU  73          HD13      LEU  73 -10.144  -6.345  14.632
  582   HD21  LEU  73          HD21      LEU  73  -8.420  -4.991  17.376
  583   HD22  LEU  73          HD22      LEU  73 -10.014  -5.677  17.670
  584   HD23  LEU  73          HD23      LEU  73  -9.686  -4.826  16.165
  585    H    LYS  74           HN       LYS  74  -7.226 -10.266  18.549
  586    HA   LYS  74           HA       LYS  74  -8.433 -10.408  21.092
  587    HB2  LYS  74           HB2      LYS  74  -8.082 -12.355  19.597
  588    HB3  LYS  74           HB1      LYS  74  -6.353 -12.283  19.942
  589    HG2  LYS  74           HG2      LYS  74  -6.788 -12.649  22.322
  590    HG3  LYS  74           HG1      LYS  74  -8.528 -12.642  22.023
  591    HD2  LYS  74           HD2      LYS  74  -8.279 -14.604  20.542
  592    HD3  LYS  74           HD1      LYS  74  -6.545 -14.621  20.867
  593    HE2  LYS  74           HE2      LYS  74  -6.985 -14.973  23.263
  594    HE3  LYS  74           HE1      LYS  74  -8.721 -14.934  22.955
  595    HZ1  LYS  74           HZ1      LYS  74  -8.284 -17.171  22.911
  596    HZ2  LYS  74           HZ2      LYS  74  -6.748 -16.982  22.211
  597    HZ3  LYS  74           HZ3      LYS  74  -8.146 -16.789  21.264
  598    H    GLU  75           HN       GLU  75  -5.010 -10.147  20.160
  599    HA   GLU  75           HA       GLU  75  -3.962 -10.256  22.794
  600    HB2  GLU  75           HB2      GLU  75  -2.836  -9.067  20.249
  601    HB3  GLU  75           HB1      GLU  75  -1.920  -9.263  21.744
  602    HG2  GLU  75           HG2      GLU  75  -3.297 -11.532  20.280
  603    HG3  GLU  75           HG1      GLU  75  -1.586 -11.147  20.118
  604    H    GLN  76           HN       GLN  76  -5.023  -7.576  20.738
  605    HA   GLN  76           HA       GLN  76  -4.122  -5.531  22.513
  606    HB2  GLN  76           HB2      GLN  76  -6.099  -5.545  20.234
  607    HB3  GLN  76           HB1      GLN  76  -5.737  -4.093  21.167
  608    HG2  GLN  76           HG2      GLN  76  -3.349  -4.320  20.610
  609    HG3  GLN  76           HG1      GLN  76  -3.699  -5.779  19.685
  610   HE21  GLN  76          HE21      GLN  76  -2.565  -4.053  18.063
  611   HE22  GLN  76          HE22      GLN  76  -3.671  -3.160  17.135
  612    H    VAL  77           HN       VAL  77  -7.333  -6.970  21.918
  613    HA   VAL  77           HA       VAL  77  -8.742  -5.427  23.797
  614    HB   VAL  77           HB       VAL  77  -9.256  -8.219  22.755
  615   HG11  VAL  77          HG11      VAL  77 -10.917  -6.368  24.471
  616   HG12  VAL  77          HG12      VAL  77 -10.527  -8.064  24.751
  617   HG13  VAL  77          HG13      VAL  77 -11.654  -7.620  23.470
  618   HG21  VAL  77          HG21      VAL  77  -9.194  -6.177  21.176
  619   HG22  VAL  77          HG22      VAL  77 -10.651  -5.641  22.014
  620   HG23  VAL  77          HG23      VAL  77 -10.649  -7.173  21.142
  621    H    THR  78           HN       THR  78  -7.327  -8.688  24.139
  622    HA   THR  78           HA       THR  78  -8.044  -9.040  26.847
  623    HB   THR  78           HB       THR  78  -7.265 -10.835  25.230
  624    HG1  THR  78           HG1      THR  78  -5.754 -10.855  27.601
  625   HG21  THR  78          HG21      THR  78  -4.502 -10.003  26.109
  626   HG22  THR  78          HG22      THR  78  -5.207  -9.461  24.591
  627   HG23  THR  78          HG23      THR  78  -4.947 -11.179  24.870
  628    H    SER  79           HN       SER  79  -5.192  -7.651  25.309
  629    HA   SER  79           HA       SER  79  -3.602  -7.343  27.613
  630    HB2  SER  79           HB2      SER  79  -3.701  -5.837  25.000
  631    HB3  SER  79           HB1      SER  79  -2.518  -5.482  26.256
  632    HG   SER  79           HG       SER  79  -1.510  -7.007  25.126
  633    H    ALA  80           HN       ALA  80  -6.152  -5.347  26.218
  634    HA   ALA  80           HA       ALA  80  -5.758  -3.015  27.721
  635    HB1  ALA  80           HB1      ALA  80  -8.398  -4.164  26.801
  636    HB2  ALA  80           HB2      ALA  80  -7.311  -3.215  25.788
  637    HB3  ALA  80           HB3      ALA  80  -8.067  -2.478  27.201
  638    H    LEU  81           HN       LEU  81  -7.441  -6.007  28.489
  639    HA   LEU  81           HA       LEU  81  -8.654  -5.120  30.895
  640    HB2  LEU  81           HB2      LEU  81  -7.786  -7.929  30.191
  641    HB3  LEU  81           HB1      LEU  81  -9.039  -7.460  31.340
  642    HG   LEU  81           HG       LEU  81  -9.088  -6.904  28.358
  643   HD11  LEU  81          HD11      LEU  81  -9.445  -9.259  28.767
  644   HD12  LEU  81          HD12      LEU  81 -11.023  -8.538  28.453
  645   HD13  LEU  81          HD13      LEU  81 -10.541  -8.915  30.106
  646   HD21  LEU  81          HD21      LEU  81 -11.580  -6.403  29.029
  647   HD22  LEU  81          HD22      LEU  81 -10.355  -5.171  29.318
  648   HD23  LEU  81          HD23      LEU  81 -10.919  -6.180  30.650
  649    H    GLY  82           HN       GLY  82  -5.453  -6.260  30.096
  650    HA2  GLY  82           HA2      GLY  82  -3.509  -5.910  31.363
  651    HA3  GLY  82           HA1      GLY  82  -4.507  -5.528  32.762
  652    H    LEU  83           HN       LEU  83  -5.473  -8.337  31.100
  653    HA   LEU  83           HA       LEU  83  -4.985 -10.032  33.319
  654    HB2  LEU  83           HB2      LEU  83  -5.708 -10.606  30.442
  655    HB3  LEU  83           HB1      LEU  83  -5.611 -11.858  31.677
  656    HG   LEU  83           HG       LEU  83  -7.338  -9.384  31.976
  657   HD11  LEU  83          HD11      LEU  83  -8.153 -12.131  30.985
  658   HD12  LEU  83          HD12      LEU  83  -8.002 -10.697  29.971
  659   HD13  LEU  83          HD13      LEU  83  -9.226 -10.754  31.240
  660   HD21  LEU  83          HD21      LEU  83  -7.004 -11.983  33.482
  661   HD22  LEU  83          HD22      LEU  83  -8.560 -11.157  33.508
  662   HD23  LEU  83          HD23      LEU  83  -7.124 -10.338  34.109
  663    H    GLU  84           HN       GLU  84  -3.320  -9.584  30.225
  664    HA   GLU  84           HA       GLU  84  -1.233 -10.219  29.505
  665    HB2  GLU  84           HB2      GLU  84  -0.623  -9.007  31.641
  666    HB3  GLU  84           HB1      GLU  84  -0.584 -10.579  32.437
  667    HG2  GLU  84           HG2      GLU  84   1.666 -10.118  31.768
  668    HG3  GLU  84           HG1      GLU  84   1.053 -11.315  30.630
  669    H    HIS  85           HN       HIS  85  -0.497 -12.087  28.675
  670    HA   HIS  85           HA       HIS  85  -1.648 -14.574  29.563
  671    HB2  HIS  85           HB2      HIS  85   0.406 -13.937  27.434
  672    HB3  HIS  85           HB1      HIS  85  -0.256 -15.547  27.722
  673    HD2  HIS  85           HD2      HIS  85  -1.134 -12.445  25.690
  674    HE1  HIS  85           HE1      HIS  85  -4.720 -14.647  26.029
  675    HE2  HIS  85           HE2      HIS  85  -3.586 -12.716  24.833
  676    H    HIS  86           HN       HIS  86  -0.677 -16.242  30.624
  677    HA   HIS  86           HA       HIS  86   2.148 -15.931  31.461
  678    HB2  HIS  86           HB2      HIS  86   0.597 -15.174  33.280
  679    HB3  HIS  86           HB1      HIS  86  -0.102 -16.793  33.293
  680    HD2  HIS  86           HD2      HIS  86   1.289 -18.583  34.880
  681    HE1  HIS  86           HE1      HIS  86   4.859 -16.362  35.272
  682    HE2  HIS  86           HE2      HIS  86   3.642 -18.466  36.009
  683    H    HIS  87           HN       HIS  87   3.301 -17.709  31.099
  684    HA   HIS  87           HA       HIS  87   1.888 -20.228  30.459
  685    HB2  HIS  87           HB2      HIS  87   4.725 -19.327  29.893
  686    HB3  HIS  87           HB1      HIS  87   4.043 -20.886  29.428
  687    HD2  HIS  87           HD2      HIS  87   1.142 -18.764  28.776
  688    HE1  HIS  87           HE1      HIS  87   3.502 -18.158  25.328
  689    HE2  HIS  87           HE2      HIS  87   1.187 -17.860  26.326
  690    H    HIS  88           HN       HIS  88   1.760 -21.664  32.043
  691    HA   HIS  88           HA       HIS  88   3.368 -21.507  34.411
  692    HB2  HIS  88           HB2      HIS  88   1.025 -22.322  34.415
  693    HB3  HIS  88           HB1      HIS  88   1.537 -23.731  33.486
  694    HD2  HIS  88           HD2      HIS  88   1.838 -25.812  35.263
  695    HE1  HIS  88           HE1      HIS  88   3.487 -23.636  38.483
  696    HE2  HIS  88           HE2      HIS  88   2.805 -25.948  37.685
  697    H    HIS  89           HN       HIS  89   4.887 -23.032  35.169
  698    HA   HIS  89           HA       HIS  89   6.781 -23.904  33.288
  699    HB2  HIS  89           HB2      HIS  89   6.315 -24.691  36.169
  700    HB3  HIS  89           HB1      HIS  89   7.700 -25.245  35.228
  701    HD2  HIS  89           HD2      HIS  89   9.593 -23.198  34.574
  702    HE1  HIS  89           HE1      HIS  89   7.842 -20.235  37.019
  703    HE2  HIS  89           HE2      HIS  89   9.880 -20.823  35.622
  704    H    HIS  90           HN       HIS  90   4.194 -25.655  34.965
  705    HA   HIS  90           HA       HIS  90   4.755 -28.061  33.332
  706    HB2  HIS  90           HB2      HIS  90   4.673 -28.481  35.725
  707    HB3  HIS  90           HB1      HIS  90   3.100 -27.692  35.843
  708    HD2  HIS  90           HD2      HIS  90   0.947 -29.371  35.324
  709    HE1  HIS  90           HE1      HIS  90   3.130 -32.615  33.732
  710    HE2  HIS  90           HE2      HIS  90   0.822 -31.824  34.437
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  -8.687  -0.142  26.174
    2    H2   MET   1           HT2      MET   1  -9.257   1.138  25.213
    3    H3   MET   1           HT3      MET   1  -9.868   0.914  26.782
    4    HA   MET   1           HA       MET   1  -8.115   2.738  26.383
    5    HB2  MET   1           HB2      MET   1  -7.045   2.038  28.651
    6    HB3  MET   1           HB1      MET   1  -8.782   2.336  28.608
    7    HG2  MET   1           HG2      MET   1  -9.216  -0.071  28.373
    8    HG3  MET   1           HG1      MET   1  -7.482  -0.392  28.347
    9    HE1  MET   1           HE1      MET   1  -6.107  -0.830  30.196
   10    HE2  MET   1           HE2      MET   1  -6.224  -0.103  31.797
   11    HE3  MET   1           HE3      MET   1  -5.955   0.922  30.390
   12    H    GLY   2           HN       GLY   2  -7.167   1.477  24.325
   13    HA2  GLY   2           HA2      GLY   2  -4.360   1.311  24.751
   14    HA3  GLY   2           HA1      GLY   2  -5.037  -0.299  24.534
   15    H    GLN   3           HN       GLN   3  -3.245   0.459  22.700
   16    HA   GLN   3           HA       GLN   3  -4.236   1.895  20.469
   17    HB2  GLN   3           HB2      GLN   3  -1.825   1.363  20.893
   18    HB3  GLN   3           HB1      GLN   3  -2.166  -0.313  20.460
   19    HG2  GLN   3           HG2      GLN   3  -2.922   0.392  18.234
   20    HG3  GLN   3           HG1      GLN   3  -2.650   2.080  18.662
   21   HE21  GLN   3          HE21      GLN   3  -1.286   0.814  16.460
   22   HE22  GLN   3          HE22      GLN   3   0.365   0.741  16.845
   23    H    ILE   4           HN       ILE   4  -6.444   0.882  20.545
   24    HA   ILE   4           HA       ILE   4  -6.627  -1.784  19.355
   25    HB   ILE   4           HB       ILE   4  -8.749   0.079  20.306
   26   HG12  ILE   4          HG12      ILE   4  -7.773  -2.500  21.538
   27   HG13  ILE   4          HG11      ILE   4  -7.180  -0.915  22.036
   28   HG21  ILE   4          HG21      ILE   4 -10.141  -2.050  20.183
   29   HG22  ILE   4          HG22      ILE   4  -8.820  -2.741  19.240
   30   HG23  ILE   4          HG23      ILE   4  -9.701  -1.340  18.630
   31   HD11  ILE   4          HD11      ILE   4  -9.117  -1.882  23.409
   32   HD12  ILE   4          HD12      ILE   4 -10.128  -1.587  21.994
   33   HD13  ILE   4          HD13      ILE   4  -9.332  -0.239  22.806
   34    H    PHE   5           HN       PHE   5  -7.063  -2.163  17.256
   35    HA   PHE   5           HA       PHE   5  -6.949  -0.060  15.357
   36    HB2  PHE   5           HB2      PHE   5  -7.741  -2.970  15.165
   37    HB3  PHE   5           HB1      PHE   5  -7.718  -1.903  13.760
   38    HD1  PHE   5           HD1      PHE   5  -5.586  -0.819  13.045
   39    HD2  PHE   5           HD2      PHE   5  -5.708  -3.774  16.161
   40    HE1  PHE   5           HE1      PHE   5  -3.135  -1.134  12.842
   41    HE2  PHE   5           HE2      PHE   5  -3.257  -4.089  15.958
   42    HZ   PHE   5           HZ       PHE   5  -1.970  -2.769  14.298
   43    H    THR   6           HN       THR   6  -8.496   1.153  14.441
   44    HA   THR   6           HA       THR   6 -11.110   1.233  15.547
   45    HB   THR   6           HB       THR   6 -10.294   2.454  12.913
   46    HG1  THR   6           HG1      THR   6  -9.772   3.323  15.562
   47   HG21  THR   6          HG21      THR   6 -11.960   4.078  13.411
   48   HG22  THR   6          HG22      THR   6 -12.069   3.557  15.092
   49   HG23  THR   6          HG23      THR   6 -12.694   2.524  13.807
   50    H    VAL   7           HN       VAL   7 -13.072   0.576  14.719
   51    HA   VAL   7           HA       VAL   7 -13.108  -1.780  13.164
   52    HB   VAL   7           HB       VAL   7 -14.852  -1.113  14.839
   53   HG11  VAL   7          HG11      VAL   7 -15.929   0.632  12.616
   54   HG12  VAL   7          HG12      VAL   7 -14.955   1.276  13.937
   55   HG13  VAL   7          HG13      VAL   7 -16.508   0.515  14.278
   56   HG21  VAL   7          HG21      VAL   7 -16.764  -1.943  13.465
   57   HG22  VAL   7          HG22      VAL   7 -15.307  -2.909  13.244
   58   HG23  VAL   7          HG23      VAL   7 -15.781  -1.736  12.017
   59    H    GLN   8           HN       GLN   8 -13.661   1.611  12.372
   60    HA   GLN   8           HA       GLN   8 -14.715   1.311   9.799
   61    HB2  GLN   8           HB2      GLN   8 -14.602   3.459  11.055
   62    HB3  GLN   8           HB1      GLN   8 -12.862   3.501  10.766
   63    HG2  GLN   8           HG2      GLN   8 -13.233   3.524   8.347
   64    HG3  GLN   8           HG1      GLN   8 -14.974   3.395   8.593
   65   HE21  GLN   8          HE21      GLN   8 -15.735   5.436   7.937
   66   HE22  GLN   8          HE22      GLN   8 -15.162   6.908   8.558
   67    H    GLU   9           HN       GLU   9 -11.337   1.558  10.871
   68    HA   GLU   9           HA       GLU   9 -10.220   1.376   8.254
   69    HB2  GLU   9           HB2      GLU   9  -9.037   0.897  10.995
   70    HB3  GLU   9           HB1      GLU   9  -8.098   0.864   9.502
   71    HG2  GLU   9           HG2      GLU   9  -8.718   3.169   9.008
   72    HG3  GLU   9           HG1      GLU   9  -9.776   3.217  10.418
   73    H    LEU  10           HN       LEU  10 -11.265  -0.949  10.626
   74    HA   LEU  10           HA       LEU  10  -9.876  -3.199   9.657
   75    HB2  LEU  10           HB2      LEU  10 -11.032  -3.101  11.862
   76    HB3  LEU  10           HB1      LEU  10 -12.580  -3.134  11.021
   77    HG   LEU  10           HG       LEU  10 -11.912  -5.312   9.969
   78   HD11  LEU  10          HD11      LEU  10  -9.955  -6.438  11.394
   79   HD12  LEU  10          HD12      LEU  10  -9.426  -4.766  11.572
   80   HD13  LEU  10          HD13      LEU  10  -9.597  -5.472   9.967
   81   HD21  LEU  10          HD21      LEU  10 -12.022  -6.627  12.155
   82   HD22  LEU  10          HD22      LEU  10 -13.324  -5.470  11.878
   83   HD23  LEU  10          HD23      LEU  10 -12.004  -5.069  12.978
   84    H    LYS  11           HN       LYS  11 -12.944  -1.726   8.759
   85    HA   LYS  11           HA       LYS  11 -13.963  -3.772   7.142
   86    HB2  LYS  11           HB2      LYS  11 -14.266  -0.769   6.985
   87    HB3  LYS  11           HB1      LYS  11 -15.173  -1.884   5.962
   88    HG2  LYS  11           HG2      LYS  11 -16.055  -3.000   7.997
   89    HG3  LYS  11           HG1      LYS  11 -15.188  -1.833   8.995
   90    HD2  LYS  11           HD2      LYS  11 -16.468   0.007   8.017
   91    HD3  LYS  11           HD1      LYS  11 -17.286  -1.113   6.927
   92    HE2  LYS  11           HE2      LYS  11 -18.755  -0.667   8.809
   93    HE3  LYS  11           HE1      LYS  11 -18.175  -2.328   8.932
   94    HZ1  LYS  11           HZ1      LYS  11 -16.405  -0.501  10.210
   95    HZ2  LYS  11           HZ2      LYS  11 -17.173  -1.879  10.842
   96    HZ3  LYS  11           HZ3      LYS  11 -17.971  -0.379  10.849
   97    H    GLU  12           HN       GLU  12 -11.759  -1.102   6.358
   98    HA   GLU  12           HA       GLU  12 -11.614  -1.489   3.588
   99    HB2  GLU  12           HB2      GLU  12 -10.667   0.466   4.789
  100    HB3  GLU  12           HB1      GLU  12  -9.398  -0.573   5.438
  101    HG2  GLU  12           HG2      GLU  12  -8.615  -1.083   3.177
  102    HG3  GLU  12           HG1      GLU  12  -9.925  -0.128   2.486
  103    H    ARG  13           HN       ARG  13  -9.941  -3.098   6.236
  104    HA   ARG  13           HA       ARG  13  -8.153  -4.552   4.547
  105    HB2  ARG  13           HB2      ARG  13  -7.696  -4.050   6.954
  106    HB3  ARG  13           HB1      ARG  13  -8.975  -5.184   7.386
  107    HG2  ARG  13           HG2      ARG  13  -6.854  -6.361   7.494
  108    HG3  ARG  13           HG1      ARG  13  -7.750  -6.968   6.105
  109    HD2  ARG  13           HD2      ARG  13  -6.339  -5.928   4.565
  110    HD3  ARG  13           HD1      ARG  13  -5.852  -4.668   5.695
  111    HE   ARG  13           HE       ARG  13  -4.860  -6.994   6.763
  112   HH11  ARG  13          HH21      ARG  13  -4.689  -5.316   3.740
  113   HH12  ARG  13          HH22      ARG  13  -3.091  -5.871   3.364
  114   HH21  ARG  13          HH11      ARG  13  -2.765  -7.724   6.277
  115   HH22  ARG  13          HH12      ARG  13  -2.003  -7.234   4.801
  116    H    ALA  14           HN       ALA  14 -11.259  -5.218   6.071
  117    HA   ALA  14           HA       ALA  14 -11.352  -7.965   5.332
  118    HB1  ALA  14           HB1      ALA  14 -12.714  -7.264   7.168
  119    HB2  ALA  14           HB2      ALA  14 -13.817  -7.706   5.865
  120    HB3  ALA  14           HB3      ALA  14 -13.480  -6.007   6.197
  121    H    LYS  15           HN       LYS  15 -11.922  -5.056   3.633
  122    HA   LYS  15           HA       LYS  15 -13.825  -5.915   1.741
  123    HB2  LYS  15           HB2      LYS  15 -11.671  -3.823   1.731
  124    HB3  LYS  15           HB1      LYS  15 -12.643  -4.107   0.293
  125    HG2  LYS  15           HG2      LYS  15 -14.054  -3.739   2.922
  126    HG3  LYS  15           HG1      LYS  15 -13.408  -2.314   2.108
  127    HD2  LYS  15           HD2      LYS  15 -14.657  -2.939   0.061
  128    HD3  LYS  15           HD1      LYS  15 -15.321  -4.339   0.903
  129    HE2  LYS  15           HE2      LYS  15 -16.375  -2.874   2.549
  130    HE3  LYS  15           HE1      LYS  15 -15.673  -1.463   1.759
  131    HZ1  LYS  15           HZ1      LYS  15 -17.169  -1.535   0.110
  132    HZ2  LYS  15           HZ2      LYS  15 -18.097  -2.457   1.194
  133    HZ3  LYS  15           HZ3      LYS  15 -17.151  -3.228   0.011
  134    H    VAL  16           HN       VAL  16 -10.729  -7.044   2.293
  135    HA   VAL  16           HA       VAL  16  -9.953  -7.588  -0.420
  136    HB   VAL  16           HB       VAL  16  -8.334  -7.385   1.469
  137   HG11  VAL  16          HG11      VAL  16  -9.891  -8.727   3.034
  138   HG12  VAL  16          HG12      VAL  16  -8.164  -9.059   3.137
  139   HG13  VAL  16          HG13      VAL  16  -9.223 -10.163   2.259
  140   HG21  VAL  16          HG21      VAL  16  -8.357 -10.065   0.042
  141   HG22  VAL  16          HG22      VAL  16  -6.945  -9.301   0.768
  142   HG23  VAL  16          HG23      VAL  16  -7.731  -8.557  -0.624
  143    H    PHE  17           HN       PHE  17 -11.697  -9.292   2.114
  144    HA   PHE  17           HA       PHE  17 -12.101 -11.595   0.274
  145    HB2  PHE  17           HB2      PHE  17 -10.961 -12.205   2.357
  146    HB3  PHE  17           HB1      PHE  17 -12.276 -11.494   3.296
  147    HD1  PHE  17           HD1      PHE  17 -11.479 -14.132   0.782
  148    HD2  PHE  17           HD2      PHE  17 -14.282 -12.701   3.705
  149    HE1  PHE  17           HE1      PHE  17 -12.757 -16.249   0.592
  150    HE2  PHE  17           HE2      PHE  17 -15.559 -14.817   3.515
  151    HZ   PHE  17           HZ       PHE  17 -14.797 -16.592   1.960
  152    H    ALA  18           HN       ALA  18 -14.136 -12.244  -0.205
  153    HA   ALA  18           HA       ALA  18 -16.249 -10.407  -0.099
  154    HB1  ALA  18           HB1      ALA  18 -17.674 -12.394  -0.729
  155    HB2  ALA  18           HB2      ALA  18 -16.234 -13.396  -0.546
  156    HB3  ALA  18           HB3      ALA  18 -16.276 -12.127  -1.769
  157    H    LYS  19           HN       LYS  19 -18.020 -10.172   1.213
  158    HA   LYS  19           HA       LYS  19 -17.705 -10.967   3.913
  159    HB2  LYS  19           HB2      LYS  19 -20.081  -9.710   2.537
  160    HB3  LYS  19           HB1      LYS  19 -19.866  -9.851   4.281
  161    HG2  LYS  19           HG2      LYS  19 -17.460  -8.685   3.548
  162    HG3  LYS  19           HG1      LYS  19 -18.567  -7.977   2.372
  163    HD2  LYS  19           HD2      LYS  19 -20.060  -7.299   4.239
  164    HD3  LYS  19           HD1      LYS  19 -18.881  -7.951   5.378
  165    HE2  LYS  19           HE2      LYS  19 -18.468  -5.582   5.199
  166    HE3  LYS  19           HE1      LYS  19 -17.167  -6.412   4.346
  167    HZ1  LYS  19           HZ1      LYS  19 -19.547  -5.711   2.811
  168    HZ2  LYS  19           HZ2      LYS  19 -17.916  -5.738   2.336
  169    HZ3  LYS  19           HZ3      LYS  19 -18.515  -4.442   3.257
  170    HA   PRO  20           HA       PRO  20 -19.884 -14.831   3.799
  171    HB2  PRO  20           HB2      PRO  20 -20.745 -14.986   6.407
  172    HB3  PRO  20           HB1      PRO  20 -19.053 -15.231   5.925
  173    HG2  PRO  20           HG2      PRO  20 -20.358 -12.793   7.064
  174    HG3  PRO  20           HG1      PRO  20 -18.777 -13.503   7.440
  175    HD2  PRO  20           HD2      PRO  20 -19.054 -11.355   5.804
  176    HD3  PRO  20           HD1      PRO  20 -17.756 -12.548   5.600
  177    H    ILE  21           HN       ILE  21 -22.017 -15.773   3.959
  178    HA   ILE  21           HA       ILE  21 -24.104 -13.959   3.220
  179    HB   ILE  21           HB       ILE  21 -25.511 -15.999   3.154
  180   HG12  ILE  21          HG12      ILE  21 -22.997 -17.400   4.125
  181   HG13  ILE  21          HG11      ILE  21 -24.425 -17.118   5.123
  182   HG21  ILE  21          HG21      ILE  21 -22.753 -16.321   1.931
  183   HG22  ILE  21          HG22      ILE  21 -24.086 -15.402   1.230
  184   HG23  ILE  21          HG23      ILE  21 -24.214 -17.153   1.397
  185   HD11  ILE  21          HD11      ILE  21 -25.770 -18.347   3.361
  186   HD12  ILE  21          HD12      ILE  21 -24.624 -19.343   4.258
  187   HD13  ILE  21          HD13      ILE  21 -24.236 -18.809   2.622
  188    H    GLY  22           HN       GLY  22 -26.131 -13.683   4.308
  189    HA2  GLY  22           HA2      GLY  22 -27.559 -13.602   6.154
  190    HA3  GLY  22           HA1      GLY  22 -26.354 -14.469   7.102
  191    H    ALA  23           HN       ALA  23 -25.370 -13.328   8.636
  192    HA   ALA  23           HA       ALA  23 -24.466 -10.633   8.228
  193    HB1  ALA  23           HB1      ALA  23 -26.782 -10.082   8.651
  194    HB2  ALA  23           HB2      ALA  23 -25.839  -9.656  10.080
  195    HB3  ALA  23           HB3      ALA  23 -26.813 -11.125  10.073
  196    H    SER  24           HN       SER  24 -23.027 -12.842   8.856
  197    HA   SER  24           HA       SER  24 -22.680 -13.096  11.718
  198    HB2  SER  24           HB2      SER  24 -20.827 -14.598  11.117
  199    HB3  SER  24           HB1      SER  24 -22.297 -15.019  10.243
  200    HG   SER  24           HG       SER  24 -21.248 -14.648   8.473
  201    H    TYR  25           HN       TYR  25 -21.586 -10.975   9.302
  202    HA   TYR  25           HA       TYR  25 -19.010 -10.360  10.389
  203    HB2  TYR  25           HB2      TYR  25 -19.674  -9.918   8.020
  204    HB3  TYR  25           HB1      TYR  25 -20.745  -8.643   8.601
  205    HD1  TYR  25           HD1      TYR  25 -17.199  -9.749   8.430
  206    HD2  TYR  25           HD2      TYR  25 -19.893  -6.514   9.282
  207    HE1  TYR  25           HE1      TYR  25 -15.284  -8.176   8.507
  208    HE2  TYR  25           HE2      TYR  25 -17.978  -4.940   9.359
  209    HH   TYR  25           HH       TYR  25 -14.874  -5.840   9.711
  210    H    GLN  26           HN       GLN  26 -22.217  -9.547  11.247
  211    HA   GLN  26           HA       GLN  26 -21.886  -6.979  12.340
  212    HB2  GLN  26           HB2      GLN  26 -23.920  -7.408  13.557
  213    HB3  GLN  26           HB1      GLN  26 -24.072  -8.177  11.976
  214    HG2  GLN  26           HG2      GLN  26 -23.205 -10.310  13.090
  215    HG3  GLN  26           HG1      GLN  26 -23.457  -9.493  14.630
  216   HE21  GLN  26          HE21      GLN  26 -25.100 -11.333  14.933
  217   HE22  GLN  26          HE22      GLN  26 -26.660 -11.098  14.308
  218    H    GLY  27           HN       GLY  27 -21.250 -10.188  13.663
  219    HA2  GLY  27           HA2      GLY  27 -20.814  -9.456  16.348
  220    HA3  GLY  27           HA1      GLY  27 -20.133 -10.875  15.556
  221    H    ILE  28           HN       ILE  28 -18.715  -9.399  13.523
  222    HA   ILE  28           HA       ILE  28 -16.300  -8.884  14.939
  223    HB   ILE  28           HB       ILE  28 -17.001  -8.233  12.067
  224   HG12  ILE  28          HG12      ILE  28 -17.205 -10.707  12.978
  225   HG13  ILE  28          HG11      ILE  28 -16.344 -10.405  11.471
  226   HG21  ILE  28          HG21      ILE  28 -15.000  -7.066  12.553
  227   HG22  ILE  28          HG22      ILE  28 -14.427  -8.594  11.885
  228   HG23  ILE  28          HG23      ILE  28 -14.416  -8.337  13.629
  229   HD11  ILE  28          HD11      ILE  28 -14.231 -10.676  12.464
  230   HD12  ILE  28          HD12      ILE  28 -15.195 -11.911  13.271
  231   HD13  ILE  28          HD13      ILE  28 -14.844 -10.394  14.090
  232    H    LEU  29           HN       LEU  29 -18.945  -6.934  13.940
  233    HA   LEU  29           HA       LEU  29 -17.434  -4.448  14.307
  234    HB2  LEU  29           HB2      LEU  29 -18.958  -4.561  12.431
  235    HB3  LEU  29           HB1      LEU  29 -20.297  -4.979  13.499
  236    HG   LEU  29           HG       LEU  29 -18.862  -2.502  14.330
  237   HD11  LEU  29          HD11      LEU  29 -19.833  -1.095  12.560
  238   HD12  LEU  29          HD12      LEU  29 -20.403  -2.537  11.721
  239   HD13  LEU  29          HD13      LEU  29 -18.673  -2.245  11.895
  240   HD21  LEU  29          HD21      LEU  29 -21.774  -3.147  13.753
  241   HD22  LEU  29          HD22      LEU  29 -21.188  -1.685  14.544
  242   HD23  LEU  29          HD23      LEU  29 -20.992  -3.251  15.329
  243    H    ASP  30           HN       ASP  30 -20.151  -6.218  15.743
  244    HA   ASP  30           HA       ASP  30 -20.826  -4.320  17.703
  245    HB2  ASP  30           HB2      ASP  30 -21.147  -7.320  17.607
  246    HB3  ASP  30           HB1      ASP  30 -21.788  -6.330  18.918
  247    H    GLN  31           HN       GLN  31 -18.569  -7.057  17.799
  248    HA   GLN  31           HA       GLN  31 -17.879  -6.803  20.528
  249    HB2  GLN  31           HB2      GLN  31 -16.638  -8.112  18.126
  250    HB3  GLN  31           HB1      GLN  31 -15.689  -7.981  19.606
  251    HG2  GLN  31           HG2      GLN  31 -16.907 -10.113  19.539
  252    HG3  GLN  31           HG1      GLN  31 -17.474  -9.097  20.865
  253   HE21  GLN  31          HE21      GLN  31 -18.575 -11.003  18.318
  254   HE22  GLN  31          HE22      GLN  31 -20.123 -10.329  18.144
  255    H    LEU  32           HN       LEU  32 -16.335  -5.524  17.597
  256    HA   LEU  32           HA       LEU  32 -14.209  -4.224  18.917
  257    HB2  LEU  32           HB2      LEU  32 -15.531  -3.964  16.234
  258    HB3  LEU  32           HB1      LEU  32 -14.373  -2.730  16.720
  259    HG   LEU  32           HG       LEU  32 -13.399  -4.683  15.410
  260   HD11  LEU  32          HD11      LEU  32 -12.095  -4.698  18.119
  261   HD12  LEU  32          HD12      LEU  32 -12.216  -3.152  17.282
  262   HD13  LEU  32          HD13      LEU  32 -11.377  -4.500  16.526
  263   HD21  LEU  32          HD21      LEU  32 -13.235  -6.837  16.382
  264   HD22  LEU  32          HD22      LEU  32 -14.883  -6.357  16.760
  265   HD23  LEU  32          HD23      LEU  32 -13.635  -6.247  17.991
  266    H    ASP  33           HN       ASP  33 -17.442  -3.154  18.074
  267    HA   ASP  33           HA       ASP  33 -17.081  -0.463  18.914
  268    HB2  ASP  33           HB2      ASP  33 -19.529  -2.197  18.586
  269    HB3  ASP  33           HB1      ASP  33 -19.616  -0.505  19.076
  270    H    LEU  34           HN       LEU  34 -18.300  -3.379  20.530
  271    HA   LEU  34           HA       LEU  34 -18.924  -2.077  22.969
  272    HB2  LEU  34           HB2      LEU  34 -19.931  -4.230  22.364
  273    HB3  LEU  34           HB1      LEU  34 -18.348  -5.004  22.422
  274    HG   LEU  34           HG       LEU  34 -18.161  -4.450  24.829
  275   HD11  LEU  34          HD11      LEU  34 -19.356  -2.489  25.218
  276   HD12  LEU  34          HD12      LEU  34 -20.494  -3.680  25.844
  277   HD13  LEU  34          HD13      LEU  34 -20.728  -2.994  24.235
  278   HD21  LEU  34          HD21      LEU  34 -19.836  -6.000  25.645
  279   HD22  LEU  34          HD22      LEU  34 -19.248  -6.574  24.084
  280   HD23  LEU  34          HD23      LEU  34 -20.814  -5.768  24.197
  281    H    VAL  35           HN       VAL  35 -16.170  -4.095  21.986
  282    HA   VAL  35           HA       VAL  35 -14.777  -3.997  24.402
  283    HB   VAL  35           HB       VAL  35 -14.338  -5.356  22.175
  284   HG11  VAL  35          HG11      VAL  35 -12.733  -4.478  20.693
  285   HG12  VAL  35          HG12      VAL  35 -12.245  -3.214  21.821
  286   HG13  VAL  35          HG13      VAL  35 -13.794  -3.116  21.012
  287   HG21  VAL  35          HG21      VAL  35 -12.134  -4.321  23.983
  288   HG22  VAL  35          HG22      VAL  35 -11.975  -5.720  22.922
  289   HG23  VAL  35          HG23      VAL  35 -13.125  -5.749  24.256
  290    H    HIS  36           HN       HIS  36 -15.149  -1.628  21.904
  291    HA   HIS  36           HA       HIS  36 -12.887  -0.022  22.688
  292    HB2  HIS  36           HB2      HIS  36 -13.740   0.011  20.375
  293    HB3  HIS  36           HB1      HIS  36 -15.272   0.668  20.951
  294    HD2  HIS  36           HD2      HIS  36 -11.574   1.865  20.376
  295    HE1  HIS  36           HE1      HIS  36 -13.875   5.216  21.517
  296    HE2  HIS  36           HE2      HIS  36 -11.604   4.460  20.667
  297    H    GLN  37           HN       GLN  37 -16.407   0.103  23.143
  298    HA   GLN  37           HA       GLN  37 -16.205   2.483  24.805
  299    HB2  GLN  37           HB2      GLN  37 -18.141   2.006  23.238
  300    HB3  GLN  37           HB1      GLN  37 -18.629   0.730  24.353
  301    HG2  GLN  37           HG2      GLN  37 -19.868   2.729  24.923
  302    HG3  GLN  37           HG1      GLN  37 -18.679   2.449  26.190
  303   HE21  GLN  37          HE21      GLN  37 -18.252   4.618  26.819
  304   HE22  GLN  37          HE22      GLN  37 -17.633   5.789  25.757
  305    H    ALA  38           HN       ALA  38 -16.238  -0.941  25.202
  306    HA   ALA  38           HA       ALA  38 -17.136  -0.970  27.930
  307    HB1  ALA  38           HB1      ALA  38 -15.638  -3.060  26.342
  308    HB2  ALA  38           HB2      ALA  38 -17.389  -2.943  26.490
  309    HB3  ALA  38           HB3      ALA  38 -16.405  -3.318  27.906
  310    H    LYS  39           HN       LYS  39 -15.761  -1.770  29.711
  311    HA   LYS  39           HA       LYS  39 -12.906  -1.440  29.522
  312    HB2  LYS  39           HB2      LYS  39 -13.104   0.412  31.438
  313    HB3  LYS  39           HB1      LYS  39 -13.114   0.859  29.733
  314    HG2  LYS  39           HG2      LYS  39 -14.946   1.961  30.975
  315    HG3  LYS  39           HG1      LYS  39 -15.570   0.884  29.728
  316    HD2  LYS  39           HD2      LYS  39 -16.194  -0.770  31.295
  317    HD3  LYS  39           HD1      LYS  39 -15.177  -0.084  32.564
  318    HE2  LYS  39           HE2      LYS  39 -17.538   0.438  32.982
  319    HE3  LYS  39           HE1      LYS  39 -16.637   1.912  32.629
  320    HZ1  LYS  39           HZ1      LYS  39 -17.476   0.943  30.191
  321    HZ2  LYS  39           HZ2      LYS  39 -18.093   2.291  31.022
  322    HZ3  LYS  39           HZ3      LYS  39 -18.815   0.765  31.217
  323    H    GLY  40           HN       GLY  40 -11.889  -1.636  31.740
  324    HA2  GLY  40           HA2      GLY  40 -11.682  -2.682  33.787
  325    HA3  GLY  40           HA1      GLY  40 -13.440  -2.674  33.907
  326    H    ARG  41           HN       ARG  41 -13.641  -4.784  34.632
  327    HA   ARG  41           HA       ARG  41 -12.356  -7.015  33.418
  328    HB2  ARG  41           HB2      ARG  41 -14.905  -6.988  35.046
  329    HB3  ARG  41           HB1      ARG  41 -13.846  -8.368  34.764
  330    HG2  ARG  41           HG2      ARG  41 -12.743  -7.772  36.684
  331    HG3  ARG  41           HG1      ARG  41 -12.083  -6.415  35.776
  332    HD2  ARG  41           HD2      ARG  41 -13.100  -5.489  37.731
  333    HD3  ARG  41           HD1      ARG  41 -14.182  -5.129  36.388
  334    HE   ARG  41           HE       ARG  41 -14.871  -7.595  37.680
  335   HH11  ARG  41          HH21      ARG  41 -15.065  -4.146  37.848
  336   HH12  ARG  41          HH22      ARG  41 -16.519  -4.135  38.789
  337   HH21  ARG  41          HH11      ARG  41 -16.780  -7.591  38.914
  338   HH22  ARG  41          HH12      ARG  41 -17.489  -6.085  39.392
  339    H    ASP  42           HN       ASP  42 -15.163  -5.176  32.640
  340    HA   ASP  42           HA       ASP  42 -16.631  -7.116  31.204
  341    HB2  ASP  42           HB2      ASP  42 -17.567  -4.938  31.890
  342    HB3  ASP  42           HB1      ASP  42 -16.488  -4.124  30.757
  343    H    GLN  43           HN       GLN  43 -13.946  -5.017  30.321
  344    HA   GLN  43           HA       GLN  43 -14.067  -5.434  27.520
  345    HB2  GLN  43           HB2      GLN  43 -12.777  -3.613  28.665
  346    HB3  GLN  43           HB1      GLN  43 -11.607  -4.829  29.175
  347    HG2  GLN  43           HG2      GLN  43 -11.224  -5.434  26.799
  348    HG3  GLN  43           HG1      GLN  43 -12.357  -4.172  26.312
  349   HE21  GLN  43          HE21      GLN  43 -10.958  -2.641  25.355
  350   HE22  GLN  43          HE22      GLN  43  -9.640  -1.936  26.159
  351    H    ILE  44           HN       ILE  44 -12.714  -7.278  30.160
  352    HA   ILE  44           HA       ILE  44 -10.975  -8.937  28.665
  353    HB   ILE  44           HB       ILE  44 -12.431  -9.424  31.268
  354   HG12  ILE  44          HG12      ILE  44  -9.525  -8.751  30.709
  355   HG13  ILE  44          HG11      ILE  44 -10.741  -7.544  31.142
  356   HG21  ILE  44          HG21      ILE  44 -10.302 -11.022  29.835
  357   HG22  ILE  44          HG22      ILE  44 -11.877 -11.584  30.395
  358   HG23  ILE  44          HG23      ILE  44 -10.617 -11.190  31.561
  359   HD11  ILE  44          HD11      ILE  44  -9.658  -9.807  32.817
  360   HD12  ILE  44          HD12      ILE  44 -11.210  -9.064  33.202
  361   HD13  ILE  44          HD13      ILE  44  -9.740  -8.092  33.211
  362    H    ALA  45           HN       ALA  45 -14.387  -9.265  29.589
  363    HA   ALA  45           HA       ALA  45 -14.824 -11.858  28.634
  364    HB1  ALA  45           HB1      ALA  45 -16.423 -10.491  30.011
  365    HB2  ALA  45           HB2      ALA  45 -17.170 -11.303  28.634
  366    HB3  ALA  45           HB3      ALA  45 -16.811  -9.578  28.552
  367    H    ALA  46           HN       ALA  46 -14.959  -8.739  26.958
  368    HA   ALA  46           HA       ALA  46 -15.934  -9.720  24.491
  369    HB1  ALA  46           HB1      ALA  46 -14.717  -7.541  23.649
  370    HB2  ALA  46           HB2      ALA  46 -14.513  -7.233  25.373
  371    HB3  ALA  46           HB3      ALA  46 -16.130  -7.406  24.698
  372    H    SER  47           HN       SER  47 -12.685  -9.312  25.806
  373    HA   SER  47           HA       SER  47 -11.265  -9.847  23.446
  374    HB2  SER  47           HB2      SER  47  -9.350 -10.224  24.870
  375    HB3  SER  47           HB1      SER  47 -10.289  -8.897  25.545
  376    HG   SER  47           HG       SER  47  -9.655 -11.261  26.636
  377    H    PHE  48           HN       PHE  48 -12.556 -11.964  25.952
  378    HA   PHE  48           HA       PHE  48 -11.356 -14.368  25.108
  379    HB2  PHE  48           HB2      PHE  48 -12.487 -14.119  27.281
  380    HB3  PHE  48           HB1      PHE  48 -14.037 -13.955  26.455
  381    HD1  PHE  48           HD1      PHE  48 -11.140 -16.266  26.920
  382    HD2  PHE  48           HD2      PHE  48 -15.264 -15.869  25.785
  383    HE1  PHE  48           HE1      PHE  48 -11.357 -18.735  26.838
  384    HE2  PHE  48           HE2      PHE  48 -15.480 -18.337  25.704
  385    HZ   PHE  48           HZ       PHE  48 -13.526 -19.770  26.230
  386    H    GLU  49           HN       GLU  49 -14.485 -12.896  24.265
  387    HA   GLU  49           HA       GLU  49 -15.331 -14.982  22.538
  388    HB2  GLU  49           HB2      GLU  49 -16.796 -13.188  23.553
  389    HB3  GLU  49           HB1      GLU  49 -16.125 -12.070  22.365
  390    HG2  GLU  49           HG2      GLU  49 -18.154 -12.913  21.415
  391    HG3  GLU  49           HG1      GLU  49 -16.839 -13.731  20.577
  392    H    LEU  50           HN       LEU  50 -13.629 -11.925  21.969
  393    HA   LEU  50           HA       LEU  50 -13.550 -12.086  19.156
  394    HB2  LEU  50           HB2      LEU  50 -11.859 -10.669  21.212
  395    HB3  LEU  50           HB1      LEU  50 -11.451 -10.585  19.500
  396    HG   LEU  50           HG       LEU  50 -14.180  -9.883  20.620
  397   HD11  LEU  50          HD11      LEU  50 -12.336  -8.369  21.422
  398   HD12  LEU  50          HD12      LEU  50 -13.544  -7.557  20.425
  399   HD13  LEU  50          HD13      LEU  50 -11.983  -7.997  19.734
  400   HD21  LEU  50          HD21      LEU  50 -14.672 -10.169  18.397
  401   HD22  LEU  50          HD22      LEU  50 -12.992 -10.031  17.881
  402   HD23  LEU  50          HD23      LEU  50 -13.936  -8.580  18.210
  403    H    ASN  51           HN       ASN  51 -11.386 -13.321  21.653
  404    HA   ASN  51           HA       ASN  51  -9.277 -14.159  20.008
  405    HB2  ASN  51           HB2      ASN  51 -10.336 -15.260  22.617
  406    HB3  ASN  51           HB1      ASN  51  -8.858 -15.843  21.854
  407   HD21  ASN  51          HD21      ASN  51  -8.753 -12.748  20.908
  408   HD22  ASN  51          HD22      ASN  51  -7.968 -12.035  22.229
  409    H    LYS  52           HN       LYS  52 -12.288 -15.784  20.915
  410    HA   LYS  52           HA       LYS  52 -11.711 -18.269  19.694
  411    HB2  LYS  52           HB2      LYS  52 -14.378 -16.917  20.210
  412    HB3  LYS  52           HB1      LYS  52 -14.172 -18.615  19.776
  413    HG2  LYS  52           HG2      LYS  52 -12.826 -17.348  22.166
  414    HG3  LYS  52           HG1      LYS  52 -14.396 -18.137  22.269
  415    HD2  LYS  52           HD2      LYS  52 -13.334 -20.148  22.511
  416    HD3  LYS  52           HD1      LYS  52 -12.684 -19.986  20.883
  417    HE2  LYS  52           HE2      LYS  52 -10.821 -18.595  21.853
  418    HE3  LYS  52           HE1      LYS  52 -11.426 -19.017  23.458
  419    HZ1  LYS  52           HZ1      LYS  52 -11.200 -21.309  21.800
  420    HZ2  LYS  52           HZ2      LYS  52 -10.502 -21.007  23.320
  421    HZ3  LYS  52           HZ3      LYS  52  -9.715 -20.495  21.903
  422    H    LYS  53           HN       LYS  53 -13.383 -15.369  18.525
  423    HA   LYS  53           HA       LYS  53 -14.056 -16.408  15.976
  424    HB2  LYS  53           HB2      LYS  53 -13.677 -13.569  16.950
  425    HB3  LYS  53           HB1      LYS  53 -14.282 -13.976  15.344
  426    HG2  LYS  53           HG2      LYS  53 -16.115 -15.280  16.403
  427    HG3  LYS  53           HG1      LYS  53 -15.532 -14.764  17.986
  428    HD2  LYS  53           HD2      LYS  53 -15.874 -12.402  17.345
  429    HD3  LYS  53           HD1      LYS  53 -16.468 -12.919  15.767
  430    HE2  LYS  53           HE2      LYS  53 -18.185 -14.325  17.086
  431    HE3  LYS  53           HE1      LYS  53 -17.728 -13.330  18.466
  432    HZ1  LYS  53           HZ1      LYS  53 -19.420 -12.095  17.612
  433    HZ2  LYS  53           HZ2      LYS  53 -19.122 -12.571  16.008
  434    HZ3  LYS  53           HZ3      LYS  53 -18.123 -11.416  16.755
  435    H    ILE  54           HN       ILE  54 -11.337 -14.382  17.070
  436    HA   ILE  54           HA       ILE  54 -10.084 -14.233  14.528
  437    HB   ILE  54           HB       ILE  54  -8.977 -13.886  17.327
  438   HG12  ILE  54          HG12      ILE  54  -9.683 -11.826  15.216
  439   HG13  ILE  54          HG11      ILE  54 -10.782 -12.306  16.507
  440   HG21  ILE  54          HG21      ILE  54  -7.103 -14.371  15.908
  441   HG22  ILE  54          HG22      ILE  54  -7.157 -12.612  16.061
  442   HG23  ILE  54          HG23      ILE  54  -7.759 -13.388  14.597
  443   HD11  ILE  54          HD11      ILE  54  -9.490 -10.258  17.085
  444   HD12  ILE  54          HD12      ILE  54  -7.998 -11.186  16.941
  445   HD13  ILE  54          HD13      ILE  54  -9.169 -11.587  18.196
  446    H    ASN  55           HN       ASN  55  -9.559 -16.324  17.354
  447    HA   ASN  55           HA       ASN  55  -7.391 -17.776  16.268
  448    HB2  ASN  55           HB2      ASN  55  -7.908 -17.789  18.664
  449    HB3  ASN  55           HB1      ASN  55  -9.430 -18.618  18.343
  450   HD21  ASN  55          HD21      ASN  55  -7.774 -19.983  20.025
  451   HD22  ASN  55          HD22      ASN  55  -7.008 -21.272  19.228
  452    H    ASP  56           HN       ASP  56 -10.884 -18.418  16.337
  453    HA   ASP  56           HA       ASP  56 -10.793 -20.924  15.043
  454    HB2  ASP  56           HB2      ASP  56 -12.772 -20.167  16.259
  455    HB3  ASP  56           HB1      ASP  56 -13.004 -18.857  15.102
  456    H    TYR  57           HN       TYR  57 -11.066 -17.625  13.810
  457    HA   TYR  57           HA       TYR  57 -11.633 -18.194  11.133
  458    HB2  TYR  57           HB2      TYR  57 -11.703 -15.922  12.090
  459    HB3  TYR  57           HB1      TYR  57  -9.947 -15.937  12.246
  460    HD1  TYR  57           HD1      TYR  57 -12.722 -16.219   9.766
  461    HD2  TYR  57           HD2      TYR  57  -8.557 -15.379  10.404
  462    HE1  TYR  57           HE1      TYR  57 -12.513 -15.469   7.412
  463    HE2  TYR  57           HE2      TYR  57  -8.350 -14.631   8.050
  464    HH   TYR  57           HH       TYR  57 -11.093 -14.093   6.042
  465    H    ILE  58           HN       ILE  58  -8.526 -18.005  12.834
  466    HA   ILE  58           HA       ILE  58  -6.861 -18.307  10.578
  467    HB   ILE  58           HB       ILE  58  -6.443 -19.046  13.482
  468   HG12  ILE  58          HG12      ILE  58  -5.303 -16.756  11.854
  469   HG13  ILE  58          HG11      ILE  58  -6.788 -16.613  12.803
  470   HG21  ILE  58          HG21      ILE  58  -4.571 -19.107  11.108
  471   HG22  ILE  58          HG22      ILE  58  -4.884 -20.387  12.280
  472   HG23  ILE  58          HG23      ILE  58  -3.976 -18.953  12.761
  473   HD11  ILE  58          HD11      ILE  58  -5.463 -17.401  14.814
  474   HD12  ILE  58          HD12      ILE  58  -4.979 -15.825  14.188
  475   HD13  ILE  58          HD13      ILE  58  -4.008 -17.253  13.827
  476    H    ALA  59           HN       ALA  59  -8.285 -20.690  12.795
  477    HA   ALA  59           HA       ALA  59  -7.055 -22.975  11.692
  478    HB1  ALA  59           HB1      ALA  59  -8.108 -23.153  13.836
  479    HB2  ALA  59           HB2      ALA  59  -9.009 -24.193  12.733
  480    HB3  ALA  59           HB3      ALA  59  -9.657 -22.617  13.185
  481    H    GLU  60           HN       GLU  60  -9.977 -21.206  10.838
  482    HA   GLU  60           HA       GLU  60 -10.952 -23.135   8.966
  483    HB2  GLU  60           HB2      GLU  60 -11.537 -20.193   9.351
  484    HB3  GLU  60           HB1      GLU  60 -12.375 -21.211   8.179
  485    HG2  GLU  60           HG2      GLU  60 -12.218 -21.845  11.135
  486    HG3  GLU  60           HG1      GLU  60 -13.565 -20.980  10.396
  487    H    HIS  61           HN       HIS  61  -8.986 -20.200   8.705
  488    HA   HIS  61           HA       HIS  61  -8.144 -21.068   6.004
  489    HB2  HIS  61           HB2      HIS  61  -8.708 -18.181   6.641
  490    HB3  HIS  61           HB1      HIS  61  -8.452 -18.934   5.068
  491    HD2  HIS  61           HD2      HIS  61 -10.644 -21.099   4.697
  492    HE1  HIS  61           HE1      HIS  61 -13.442 -18.542   6.558
  493    HE2  HIS  61           HE2      HIS  61 -13.176 -20.613   5.112
  494    HA   PRO  62           HA       PRO  62  -4.644 -19.770   8.809
  495    HB2  PRO  62           HB2      PRO  62  -3.284 -22.150   8.819
  496    HB3  PRO  62           HB1      PRO  62  -4.581 -21.773   9.970
  497    HG2  PRO  62           HG2      PRO  62  -4.666 -23.456   7.510
  498    HG3  PRO  62           HG1      PRO  62  -5.483 -23.692   9.065
  499    HD2  PRO  62           HD2      PRO  62  -6.714 -22.669   6.806
  500    HD3  PRO  62           HD1      PRO  62  -7.273 -22.362   8.460
  501    H    THR  63           HN       THR  63  -4.906 -21.367   5.730
  502    HA   THR  63           HA       THR  63  -2.175 -20.971   4.929
  503    HB   THR  63           HB       THR  63  -2.983 -21.645   2.697
  504    HG1  THR  63           HG1      THR  63  -4.969 -21.135   2.305
  505   HG21  THR  63          HG21      THR  63  -2.453 -23.421   4.251
  506   HG22  THR  63          HG22      THR  63  -3.924 -23.873   3.390
  507   HG23  THR  63          HG23      THR  63  -4.021 -23.259   5.041
  508    H    SER  64           HN       SER  64  -5.080 -19.086   4.895
  509    HA   SER  64           HA       SER  64  -4.334 -17.260   2.833
  510    HB2  SER  64           HB2      SER  64  -6.657 -17.447   3.471
  511    HB3  SER  64           HB1      SER  64  -6.282 -17.013   5.135
  512    HG   SER  64           HG       SER  64  -6.639 -15.055   4.454
  513    H    GLY  65           HN       GLY  65  -3.252 -15.343   2.929
  514    HA2  GLY  65           HA2      GLY  65  -1.524 -14.916   5.217
  515    HA3  GLY  65           HA1      GLY  65  -1.516 -14.003   3.711
  516    H    ARG  66           HN       ARG  66  -4.544 -13.713   4.083
  517    HA   ARG  66           HA       ARG  66  -4.507 -11.129   5.234
  518    HB2  ARG  66           HB2      ARG  66  -6.672 -13.029   4.371
  519    HB3  ARG  66           HB1      ARG  66  -7.105 -11.566   5.255
  520    HG2  ARG  66           HG2      ARG  66  -7.182 -11.152   2.841
  521    HG3  ARG  66           HG1      ARG  66  -5.887 -10.208   3.575
  522    HD2  ARG  66           HD2      ARG  66  -5.249 -11.391   1.435
  523    HD3  ARG  66           HD1      ARG  66  -4.220 -11.759   2.814
  524    HE   ARG  66           HE       ARG  66  -6.344 -13.644   2.650
  525   HH11  ARG  66          HH21      ARG  66  -3.387 -12.665   1.142
  526   HH12  ARG  66          HH22      ARG  66  -3.008 -14.246   0.543
  527   HH21  ARG  66          HH11      ARG  66  -5.854 -15.719   1.869
  528   HH22  ARG  66          HH12      ARG  66  -4.405 -15.975   0.954
  529    H    ASN  67           HN       ASN  67  -5.253 -14.303   6.534
  530    HA   ASN  67           HA       ASN  67  -6.482 -13.538   8.930
  531    HB2  ASN  67           HB2      ASN  67  -5.897 -15.732   9.753
  532    HB3  ASN  67           HB1      ASN  67  -6.320 -15.876   8.047
  533   HD21  ASN  67          HD21      ASN  67  -4.730 -17.896   9.083
  534   HD22  ASN  67          HD22      ASN  67  -3.135 -17.735   8.527
  535    H    GLN  68           HN       GLN  68  -3.262 -13.116   7.874
  536    HA   GLN  68           HA       GLN  68  -1.886 -13.178  10.347
  537    HB2  GLN  68           HB2      GLN  68  -1.304 -11.586   7.838
  538    HB3  GLN  68           HB1      GLN  68  -0.180 -11.818   9.175
  539    HG2  GLN  68           HG2      GLN  68  -1.418 -14.079   7.583
  540    HG3  GLN  68           HG1      GLN  68   0.191 -13.424   7.284
  541   HE21  GLN  68          HE21      GLN  68  -1.134 -16.047   8.657
  542   HE22  GLN  68          HE22      GLN  68  -0.076 -16.291   9.962
  543    H    ALA  69           HN       ALA  69  -3.591 -10.596   8.620
  544    HA   ALA  69           HA       ALA  69  -2.887  -8.532  10.485
  545    HB1  ALA  69           HB1      ALA  69  -4.589  -7.209   9.317
  546    HB2  ALA  69           HB2      ALA  69  -5.175  -8.659   8.502
  547    HB3  ALA  69           HB3      ALA  69  -3.557  -8.045   8.157
  548    H    LEU  70           HN       LEU  70  -5.604 -10.747  10.125
  549    HA   LEU  70           HA       LEU  70  -7.275  -9.566  12.065
  550    HB2  LEU  70           HB2      LEU  70  -7.808 -11.414  10.313
  551    HB3  LEU  70           HB1      LEU  70  -7.198 -12.531  11.533
  552    HG   LEU  70           HG       LEU  70  -8.838 -11.218  13.143
  553   HD11  LEU  70          HD11      LEU  70 -10.889 -10.484  11.917
  554   HD12  LEU  70          HD12      LEU  70 -10.022 -10.693  10.398
  555   HD13  LEU  70          HD13      LEU  70  -9.491  -9.475  11.555
  556   HD21  LEU  70          HD21      LEU  70  -9.040 -13.600  12.544
  557   HD22  LEU  70          HD22      LEU  70  -9.840 -13.158  11.036
  558   HD23  LEU  70          HD23      LEU  70 -10.625 -12.828  12.581
  559    H    THR  71           HN       THR  71  -4.708 -11.963  12.286
  560    HA   THR  71           HA       THR  71  -5.128 -12.744  14.956
  561    HB   THR  71           HB       THR  71  -2.471 -12.610  13.522
  562    HG1  THR  71           HG1      THR  71  -3.049 -14.756  12.893
  563   HG21  THR  71          HG21      THR  71  -2.196 -13.144  15.846
  564   HG22  THR  71          HG22      THR  71  -2.081 -14.663  14.959
  565   HG23  THR  71          HG23      THR  71  -3.567 -14.253  15.816
  566    H    GLN  72           HN       GLN  72  -3.787  -9.877  13.584
  567    HA   GLN  72           HA       GLN  72  -2.117  -9.035  15.685
  568    HB2  GLN  72           HB2      GLN  72  -3.727  -7.390  13.733
  569    HB3  GLN  72           HB1      GLN  72  -2.438  -6.769  14.753
  570    HG2  GLN  72           HG2      GLN  72  -2.072  -9.026  12.775
  571    HG3  GLN  72           HG1      GLN  72  -1.694  -7.345  12.416
  572   HE21  GLN  72          HE21      GLN  72   0.238  -6.450  13.325
  573   HE22  GLN  72          HE22      GLN  72   1.340  -7.374  14.228
  574    H    LEU  73           HN       LEU  73  -5.589  -8.806  15.209
  575    HA   LEU  73           HA       LEU  73  -6.151  -6.935  17.239
  576    HB2  LEU  73           HB2      LEU  73  -7.742  -9.104  15.888
  577    HB3  LEU  73           HB1      LEU  73  -8.446  -8.176  17.213
  578    HG   LEU  73           HG       LEU  73  -7.109  -6.665  14.969
  579   HD11  LEU  73          HD11      LEU  73  -8.519  -8.179  13.731
  580   HD12  LEU  73          HD12      LEU  73  -9.345  -6.622  13.804
  581   HD13  LEU  73          HD13      LEU  73  -9.853  -7.942  14.858
  582   HD21  LEU  73          HD21      LEU  73  -8.834  -5.011  15.557
  583   HD22  LEU  73          HD22      LEU  73  -7.953  -5.504  17.001
  584   HD23  LEU  73          HD23      LEU  73  -9.562  -6.151  16.685
  585    H    LYS  74           HN       LYS  74  -5.815 -10.449  17.296
  586    HA   LYS  74           HA       LYS  74  -6.768 -10.945  19.871
  587    HB2  LYS  74           HB2      LYS  74  -6.139 -12.669  18.189
  588    HB3  LYS  74           HB1      LYS  74  -4.441 -12.320  18.509
  589    HG2  LYS  74           HG2      LYS  74  -4.822 -12.876  20.922
  590    HG3  LYS  74           HG1      LYS  74  -6.477 -13.329  20.519
  591    HD2  LYS  74           HD2      LYS  74  -4.117 -14.570  19.097
  592    HD3  LYS  74           HD1      LYS  74  -4.711 -15.218  20.625
  593    HE2  LYS  74           HE2      LYS  74  -7.004 -15.374  19.565
  594    HE3  LYS  74           HE1      LYS  74  -6.253 -14.952  18.029
  595    HZ1  LYS  74           HZ1      LYS  74  -6.024 -17.155  17.870
  596    HZ2  LYS  74           HZ2      LYS  74  -6.109 -17.410  19.547
  597    HZ3  LYS  74           HZ3      LYS  74  -4.653 -16.901  18.835
  598    H    GLU  75           HN       GLU  75  -3.386 -10.393  18.860
  599    HA   GLU  75           HA       GLU  75  -2.364 -10.288  21.511
  600    HB2  GLU  75           HB2      GLU  75  -0.352  -9.267  20.410
  601    HB3  GLU  75           HB1      GLU  75  -0.870 -10.788  19.683
  602    HG2  GLU  75           HG2      GLU  75  -2.096  -9.530  17.946
  603    HG3  GLU  75           HG1      GLU  75  -1.541  -8.016  18.655
  604    H    GLN  76           HN       GLN  76  -3.647  -7.868  19.303
  605    HA   GLN  76           HA       GLN  76  -2.752  -5.565  20.672
  606    HB2  GLN  76           HB2      GLN  76  -3.750  -5.663  18.346
  607    HB3  GLN  76           HB1      GLN  76  -5.329  -5.814  19.116
  608    HG2  GLN  76           HG2      GLN  76  -5.040  -3.485  18.684
  609    HG3  GLN  76           HG1      GLN  76  -4.753  -3.693  20.411
  610   HE21  GLN  76          HE21      GLN  76  -3.227  -2.895  17.341
  611   HE22  GLN  76          HE22      GLN  76  -1.717  -2.478  17.992
  612    H    VAL  77           HN       VAL  77  -5.922  -7.213  20.783
  613    HA   VAL  77           HA       VAL  77  -7.012  -5.629  22.844
  614    HB   VAL  77           HB       VAL  77  -7.639  -8.478  22.041
  615   HG11  VAL  77          HG11      VAL  77  -8.513  -8.143  24.239
  616   HG12  VAL  77          HG12      VAL  77  -9.868  -7.887  23.139
  617   HG13  VAL  77          HG13      VAL  77  -9.040  -6.506  23.858
  618   HG21  VAL  77          HG21      VAL  77  -9.080  -5.897  21.377
  619   HG22  VAL  77          HG22      VAL  77  -9.389  -7.498  20.704
  620   HG23  VAL  77          HG23      VAL  77  -7.895  -6.647  20.307
  621    H    THR  78           HN       THR  78  -5.286  -8.732  22.923
  622    HA   THR  78           HA       THR  78  -5.492  -9.219  25.680
  623    HB   THR  78           HB       THR  78  -3.154  -9.964  23.920
  624    HG1  THR  78           HG1      THR  78  -4.408 -11.815  23.469
  625   HG21  THR  78          HG21      THR  78  -2.978 -11.868  25.434
  626   HG22  THR  78          HG22      THR  78  -4.394 -11.315  26.329
  627   HG23  THR  78          HG23      THR  78  -2.908 -10.365  26.354
  628    H    SER  79           HN       SER  79  -3.042  -7.457  23.820
  629    HA   SER  79           HA       SER  79  -1.307  -6.893  25.971
  630    HB2  SER  79           HB2      SER  79  -0.442  -6.561  23.794
  631    HB3  SER  79           HB1      SER  79  -1.799  -5.544  23.321
  632    HG   SER  79           HG       SER  79  -0.984  -3.903  24.461
  633    H    ALA  80           HN       ALA  80  -4.125  -5.186  24.687
  634    HA   ALA  80           HA       ALA  80  -3.894  -2.813  26.145
  635    HB1  ALA  80           HB1      ALA  80  -5.511  -2.885  24.408
  636    HB2  ALA  80           HB2      ALA  80  -6.431  -2.743  25.905
  637    HB3  ALA  80           HB3      ALA  80  -6.293  -4.304  25.101
  638    H    LEU  81           HN       LEU  81  -5.284  -5.926  27.036
  639    HA   LEU  81           HA       LEU  81  -6.403  -5.092  29.510
  640    HB2  LEU  81           HB2      LEU  81  -5.450  -7.830  28.628
  641    HB3  LEU  81           HB1      LEU  81  -6.474  -7.505  30.027
  642    HG   LEU  81           HG       LEU  81  -7.185  -6.728  27.185
  643   HD11  LEU  81          HD11      LEU  81  -8.840  -8.630  27.389
  644   HD12  LEU  81          HD12      LEU  81  -8.021  -9.114  28.871
  645   HD13  LEU  81          HD13      LEU  81  -7.157  -9.156  27.335
  646   HD21  LEU  81          HD21      LEU  81  -8.466  -5.329  28.559
  647   HD22  LEU  81          HD22      LEU  81  -8.562  -6.508  29.865
  648   HD23  LEU  81          HD23      LEU  81  -9.536  -6.718  28.412
  649    H    GLY  82           HN       GLY  82  -3.202  -6.065  28.525
  650    HA2  GLY  82           HA2      GLY  82  -1.205  -5.635  29.661
  651    HA3  GLY  82           HA1      GLY  82  -2.131  -5.193  31.091
  652    H    LEU  83           HN       LEU  83  -3.063  -8.133  29.616
  653    HA   LEU  83           HA       LEU  83  -2.435  -9.677  31.906
  654    HB2  LEU  83           HB2      LEU  83  -3.220 -10.463  29.093
  655    HB3  LEU  83           HB1      LEU  83  -3.047 -11.618  30.411
  656    HG   LEU  83           HG       LEU  83  -4.840  -9.182  30.590
  657   HD11  LEU  83          HD11      LEU  83  -5.700 -10.500  28.762
  658   HD12  LEU  83          HD12      LEU  83  -6.707 -10.831  30.172
  659   HD13  LEU  83          HD13      LEU  83  -5.482 -11.996  29.672
  660   HD21  LEU  83          HD21      LEU  83  -5.945 -10.863  32.302
  661   HD22  LEU  83          HD22      LEU  83  -4.514  -9.965  32.779
  662   HD23  LEU  83          HD23      LEU  83  -4.367 -11.646  32.275
  663    H    GLU  84           HN       GLU  84  -0.879  -9.322  28.759
  664    HA   GLU  84           HA       GLU  84   1.195  -9.949  28.003
  665    HB2  GLU  84           HB2      GLU  84   1.895  -8.538  29.929
  666    HB3  GLU  84           HB1      GLU  84   1.893  -9.975  30.949
  667    HG2  GLU  84           HG2      GLU  84   3.586 -11.025  29.518
  668    HG3  GLU  84           HG1      GLU  84   3.564  -9.626  28.445
  669    H    HIS  85           HN       HIS  85   1.355 -11.691  31.084
  670    HA   HIS  85           HA       HIS  85   2.063 -14.135  29.721
  671    HB2  HIS  85           HB2      HIS  85   1.577 -13.528  32.647
  672    HB3  HIS  85           HB1      HIS  85   2.171 -15.069  32.027
  673    HD2  HIS  85           HD2      HIS  85   3.669 -11.868  33.319
  674    HE1  HIS  85           HE1      HIS  85   6.561 -13.408  30.657
  675    HE2  HIS  85           HE2      HIS  85   6.140 -11.701  32.490
  676    H    HIS  86           HN       HIS  86   0.036 -14.460  32.484
  677    HA   HIS  86           HA       HIS  86  -2.413 -14.920  31.028
  678    HB2  HIS  86           HB2      HIS  86  -1.202 -16.989  30.496
  679    HB3  HIS  86           HB1      HIS  86  -0.934 -17.281  32.215
  680    HD2  HIS  86           HD2      HIS  86  -2.993 -18.686  33.421
  681    HE1  HIS  86           HE1      HIS  86  -5.925 -18.105  30.440
  682    HE2  HIS  86           HE2      HIS  86  -5.414 -19.270  32.638
  683    H    HIS  87           HN       HIS  87  -4.109 -15.867  32.538
  684    HA   HIS  87           HA       HIS  87  -3.587 -15.486  35.387
  685    HB2  HIS  87           HB2      HIS  87  -5.413 -13.842  35.637
  686    HB3  HIS  87           HB1      HIS  87  -4.097 -13.208  34.648
  687    HD2  HIS  87           HD2      HIS  87  -7.650 -12.777  34.383
  688    HE1  HIS  87           HE1      HIS  87  -6.665 -13.877  30.428
  689    HE2  HIS  87           HE2      HIS  87  -8.456 -12.841  31.900
  690    H    HIS  88           HN       HIS  88  -5.321 -16.250  36.718
  691    HA   HIS  88           HA       HIS  88  -7.070 -18.198  35.320
  692    HB2  HIS  88           HB2      HIS  88  -5.969 -18.158  38.137
  693    HB3  HIS  88           HB1      HIS  88  -7.167 -19.317  37.559
  694    HD2  HIS  88           HD2      HIS  88  -6.157 -21.307  35.812
  695    HE1  HIS  88           HE1      HIS  88  -2.122 -20.074  35.996
  696    HE2  HIS  88           HE2      HIS  88  -3.691 -21.901  35.189
  697    H    HIS  89           HN       HIS  89  -9.162 -17.777  35.261
  698    HA   HIS  89           HA       HIS  89 -10.535 -16.586  37.516
  699    HB2  HIS  89           HB2      HIS  89 -10.207 -15.109  34.904
  700    HB3  HIS  89           HB1      HIS  89 -11.546 -14.783  36.002
  701    HD2  HIS  89           HD2      HIS  89 -10.837 -13.409  38.369
  702    HE1  HIS  89           HE1      HIS  89  -6.739 -12.980  37.454
  703    HE2  HIS  89           HE2      HIS  89  -8.582 -12.285  39.056
  704    H    HIS  90           HN       HIS  90 -11.885 -16.044  34.410
  705    HA   HIS  90           HA       HIS  90 -13.111 -18.601  34.046
  706    HB2  HIS  90           HB2      HIS  90 -15.386 -18.035  34.643
  707    HB3  HIS  90           HB1      HIS  90 -14.357 -17.758  36.048
  708    HD2  HIS  90           HD2      HIS  90 -16.729 -15.765  33.734
  709    HE1  HIS  90           HE1      HIS  90 -14.754 -12.947  36.179
  710    HE2  HIS  90           HE2      HIS  90 -16.642 -13.274  34.512
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1 -19.700  -2.945  24.583
    2    H2   MET   1           HT2      MET   1 -20.422  -3.522  26.008
    3    H3   MET   1           HT3      MET   1 -21.036  -3.985  24.495
    4    HA   MET   1           HA       MET   1 -18.780  -5.025  25.979
    5    HB2  MET   1           HB2      MET   1 -20.681  -6.039  23.854
    6    HB3  MET   1           HB1      MET   1 -19.388  -7.024  24.541
    7    HG2  MET   1           HG2      MET   1 -20.332  -6.723  26.787
    8    HG3  MET   1           HG1      MET   1 -21.604  -5.693  26.129
    9    HE1  MET   1           HE1      MET   1 -23.511  -6.914  27.013
   10    HE2  MET   1           HE2      MET   1 -22.476  -8.037  27.893
   11    HE3  MET   1           HE3      MET   1 -23.806  -8.656  26.915
   12    H    GLY   2           HN       GLY   2 -16.760  -4.631  25.332
   13    HA2  GLY   2           HA2      GLY   2 -15.786  -5.235  22.752
   14    HA3  GLY   2           HA1      GLY   2 -16.023  -3.516  22.868
   15    H    GLN   3           HN       GLN   3 -13.597  -5.420  22.830
   16    HA   GLN   3           HA       GLN   3 -12.064  -3.898  24.797
   17    HB2  GLN   3           HB2      GLN   3 -12.954  -6.504  25.376
   18    HB3  GLN   3           HB1      GLN   3 -11.290  -6.722  24.906
   19    HG2  GLN   3           HG2      GLN   3 -12.286  -4.808  27.025
   20    HG3  GLN   3           HG1      GLN   3 -11.400  -6.302  27.313
   21   HE21  GLN   3          HE21      GLN   3 -10.842  -3.123  27.462
   22   HE22  GLN   3          HE22      GLN   3  -9.254  -3.041  26.870
   23    H    ILE   4           HN       ILE   4 -12.408  -5.174  21.781
   24    HA   ILE   4           HA       ILE   4  -9.656  -5.787  21.224
   25    HB   ILE   4           HB       ILE   4 -12.090  -5.569  19.525
   26   HG12  ILE   4          HG12      ILE   4 -11.853  -7.962  19.307
   27   HG13  ILE   4          HG11      ILE   4 -10.281  -7.920  20.083
   28   HG21  ILE   4          HG21      ILE   4  -9.223  -6.058  18.721
   29   HG22  ILE   4          HG22      ILE   4 -10.304  -4.833  18.083
   30   HG23  ILE   4          HG23      ILE   4 -10.581  -6.525  17.709
   31   HD11  ILE   4          HD11      ILE   4 -11.220  -7.377  22.211
   32   HD12  ILE   4          HD12      ILE   4 -12.251  -8.651  21.556
   33   HD13  ILE   4          HD13      ILE   4 -12.782  -6.974  21.487
   34    H    PHE   5           HN       PHE   5  -8.435  -4.670  19.521
   35    HA   PHE   5           HA       PHE   5  -8.110  -1.945  20.060
   36    HB2  PHE   5           HB2      PHE   5  -6.485  -3.579  18.926
   37    HB3  PHE   5           HB1      PHE   5  -7.351  -3.228  17.432
   38    HD1  PHE   5           HD2      PHE   5  -5.214  -1.823  20.096
   39    HD2  PHE   5           HD1      PHE   5  -7.224  -1.031  16.391
   40    HE1  PHE   5           HE2      PHE   5  -3.932   0.286  19.853
   41    HE2  PHE   5           HE1      PHE   5  -5.947   1.079  16.142
   42    HZ   PHE   5           HZ       PHE   5  -4.299   1.737  17.875
   43    H    THR   6           HN       THR   6  -8.280  -0.190  18.367
   44    HA   THR   6           HA       THR   6 -10.976   0.219  17.672
   45    HB   THR   6           HB       THR   6  -8.623   1.613  16.390
   46    HG1  THR   6           HG1      THR   6  -8.211   1.762  18.525
   47   HG21  THR   6          HG21      THR   6 -11.463   2.424  17.069
   48   HG22  THR   6          HG22      THR   6 -10.779   2.213  15.457
   49   HG23  THR   6          HG23      THR   6 -10.230   3.538  16.480
   50    H    VAL   7           HN       VAL   7 -11.892   0.499  15.535
   51    HA   VAL   7           HA       VAL   7 -11.425  -1.728  13.844
   52    HB   VAL   7           HB       VAL   7 -13.007   0.807  13.373
   53   HG11  VAL   7          HG11      VAL   7 -12.787  -1.780  11.817
   54   HG12  VAL   7          HG12      VAL   7 -12.547  -0.136  11.226
   55   HG13  VAL   7          HG13      VAL   7 -14.163  -0.689  11.655
   56   HG21  VAL   7          HG21      VAL   7 -13.892  -0.459  15.232
   57   HG22  VAL   7          HG22      VAL   7 -13.726  -1.972  14.340
   58   HG23  VAL   7          HG23      VAL   7 -14.924  -0.781  13.836
   59    H    GLN   8           HN       GLN   8 -10.068   1.435  13.987
   60    HA   GLN   8           HA       GLN   8  -9.336   1.910  11.351
   61    HB2  GLN   8           HB2      GLN   8  -7.960   2.570  13.953
   62    HB3  GLN   8           HB1      GLN   8  -7.340   3.119  12.395
   63    HG2  GLN   8           HG2      GLN   8  -9.488   4.225  11.919
   64    HG3  GLN   8           HG1      GLN   8 -10.124   3.667  13.466
   65   HE21  GLN   8          HE21      GLN   8 -10.272   6.286  13.470
   66   HE22  GLN   8          HE22      GLN   8  -8.964   7.050  14.236
   67    H    GLU   9           HN       GLU   9  -7.702  -0.059  13.804
   68    HA   GLU   9           HA       GLU   9  -5.410  -0.678  12.262
   69    HB2  GLU   9           HB2      GLU   9  -5.600  -1.029  14.719
   70    HB3  GLU   9           HB1      GLU   9  -6.718  -2.360  14.415
   71    HG2  GLU   9           HG2      GLU   9  -4.526  -3.315  14.710
   72    HG3  GLU   9           HG1      GLU   9  -4.908  -3.429  12.999
   73    H    LEU  10           HN       LEU  10  -8.463  -2.446  12.765
   74    HA   LEU  10           HA       LEU  10  -7.779  -4.544  10.964
   75    HB2  LEU  10           HB2      LEU  10  -9.446  -4.784  12.808
   76    HB3  LEU  10           HB1      LEU  10 -10.528  -3.710  11.925
   77    HG   LEU  10           HG       LEU  10 -10.469  -5.291   9.992
   78   HD11  LEU  10          HD11      LEU  10  -8.519  -6.535  10.067
   79   HD12  LEU  10          HD12      LEU  10  -9.609  -7.689  10.825
   80   HD13  LEU  10          HD13      LEU  10  -8.548  -6.697  11.822
   81   HD21  LEU  10          HD21      LEU  10 -12.186  -5.399  11.870
   82   HD22  LEU  10          HD22      LEU  10 -11.234  -6.725  12.541
   83   HD23  LEU  10          HD23      LEU  10 -11.972  -6.888  10.947
   84    H    LYS  11           HN       LYS  11  -9.271  -1.425  10.645
   85    HA   LYS  11           HA       LYS  11 -10.628  -1.752   8.214
   86    HB2  LYS  11           HB2      LYS  11 -10.825   0.234   9.694
   87    HB3  LYS  11           HB1      LYS  11  -9.208   0.729   9.200
   88    HG2  LYS  11           HG2      LYS  11  -9.898   0.967   6.908
   89    HG3  LYS  11           HG1      LYS  11 -11.469   0.243   7.246
   90    HD2  LYS  11           HD2      LYS  11 -10.668   2.675   8.827
   91    HD3  LYS  11           HD1      LYS  11 -11.158   2.903   7.149
   92    HE2  LYS  11           HE2      LYS  11 -12.789   1.441   9.244
   93    HE3  LYS  11           HE1      LYS  11 -13.082   3.095   8.705
   94    HZ1  LYS  11           HZ1      LYS  11 -13.259   2.153   6.406
   95    HZ2  LYS  11           HZ2      LYS  11 -14.510   1.706   7.464
   96    HZ3  LYS  11           HZ3      LYS  11 -13.265   0.607   7.103
   97    H    GLU  12           HN       GLU  12  -7.245  -0.985   8.903
   98    HA   GLU  12           HA       GLU  12  -6.438  -0.398   6.265
   99    HB2  GLU  12           HB2      GLU  12  -4.881  -1.551   8.592
  100    HB3  GLU  12           HB1      GLU  12  -4.152  -0.966   7.095
  101    HG2  GLU  12           HG2      GLU  12  -5.937   0.722   8.865
  102    HG3  GLU  12           HG1      GLU  12  -4.176   0.734   8.957
  103    H    ARG  13           HN       ARG  13  -6.468  -3.451   8.084
  104    HA   ARG  13           HA       ARG  13  -5.346  -5.021   5.993
  105    HB2  ARG  13           HB2      ARG  13  -6.992  -5.755   8.419
  106    HB3  ARG  13           HB1      ARG  13  -6.289  -6.946   7.327
  107    HG2  ARG  13           HG2      ARG  13  -4.433  -4.817   8.343
  108    HG3  ARG  13           HG1      ARG  13  -4.971  -6.015   9.517
  109    HD2  ARG  13           HD2      ARG  13  -2.895  -6.746   8.425
  110    HD3  ARG  13           HD1      ARG  13  -4.225  -7.828   8.024
  111    HE   ARG  13           HE       ARG  13  -4.094  -7.109   5.810
  112   HH11  ARG  13          HH21      ARG  13  -2.265  -5.075   7.925
  113   HH12  ARG  13          HH22      ARG  13  -1.489  -4.205   6.644
  114   HH21  ARG  13          HH11      ARG  13  -3.084  -5.973   4.123
  115   HH22  ARG  13          HH12      ARG  13  -1.953  -4.713   4.490
  116    H    ALA  14           HN       ALA  14  -8.606  -4.087   6.856
  117    HA   ALA  14           HA       ALA  14  -9.937  -5.926   5.126
  118    HB1  ALA  14           HB1      ALA  14 -11.887  -4.348   5.448
  119    HB2  ALA  14           HB2      ALA  14 -10.816  -3.345   6.428
  120    HB3  ALA  14           HB3      ALA  14 -11.191  -4.991   6.936
  121    H    LYS  15           HN       LYS  15  -8.033  -3.244   4.493
  122    HA   LYS  15           HA       LYS  15  -9.292  -1.852   2.461
  123    HB2  LYS  15           HB2      LYS  15  -7.043  -1.316   3.417
  124    HB3  LYS  15           HB1      LYS  15  -6.373  -2.650   2.479
  125    HG2  LYS  15           HG2      LYS  15  -7.124  -1.596   0.398
  126    HG3  LYS  15           HG1      LYS  15  -7.852  -0.278   1.316
  127    HD2  LYS  15           HD2      LYS  15  -5.635   0.323   2.221
  128    HD3  LYS  15           HD1      LYS  15  -4.903  -0.985   1.290
  129    HE2  LYS  15           HE2      LYS  15  -5.676   0.059  -0.798
  130    HE3  LYS  15           HE1      LYS  15  -6.421   1.363   0.123
  131    HZ1  LYS  15           HZ1      LYS  15  -3.643   0.921  -0.529
  132    HZ2  LYS  15           HZ2      LYS  15  -3.918   1.352   1.091
  133    HZ3  LYS  15           HZ3      LYS  15  -4.454   2.365  -0.164
  134    H    VAL  16           HN       VAL  16  -7.708  -5.002   2.340
  135    HA   VAL  16           HA       VAL  16  -7.935  -5.238  -0.531
  136    HB   VAL  16           HB       VAL  16  -7.073  -7.474  -0.220
  137   HG11  VAL  16          HG11      VAL  16  -5.791  -5.595   1.787
  138   HG12  VAL  16          HG12      VAL  16  -5.499  -5.561   0.047
  139   HG13  VAL  16          HG13      VAL  16  -5.011  -6.966   0.995
  140   HG21  VAL  16          HG21      VAL  16  -7.826  -6.985   2.668
  141   HG22  VAL  16          HG22      VAL  16  -6.688  -8.247   2.200
  142   HG23  VAL  16          HG23      VAL  16  -8.352  -8.298   1.617
  143    H    PHE  17           HN       PHE  17  -9.358  -6.570  -1.675
  144    HA   PHE  17           HA       PHE  17 -12.009  -6.720  -0.626
  145    HB2  PHE  17           HB2      PHE  17 -12.573  -7.753  -2.769
  146    HB3  PHE  17           HB1      PHE  17 -11.525  -6.357  -3.026
  147    HD1  PHE  17           HD1      PHE  17  -9.139  -6.657  -3.599
  148    HD2  PHE  17           HD2      PHE  17 -11.799 -10.006  -3.205
  149    HE1  PHE  17           HE1      PHE  17  -7.491  -8.104  -4.757
  150    HE2  PHE  17           HE2      PHE  17 -10.151 -11.452  -4.362
  151    HZ   PHE  17           HZ       PHE  17  -7.997 -10.501  -5.138
  152    H    ALA  18           HN       ALA  18 -12.800  -8.235   0.671
  153    HA   ALA  18           HA       ALA  18 -12.670 -10.984   0.247
  154    HB1  ALA  18           HB1      ALA  18 -10.483  -9.895   1.997
  155    HB2  ALA  18           HB2      ALA  18 -10.394 -11.150   0.763
  156    HB3  ALA  18           HB3      ALA  18 -11.149 -11.497   2.315
  157    H    LYS  19           HN       LYS  19 -14.844  -9.881   0.799
  158    HA   LYS  19           HA       LYS  19 -15.294  -9.671   3.668
  159    HB2  LYS  19           HB2      LYS  19 -17.272  -9.169   1.486
  160    HB3  LYS  19           HB1      LYS  19 -17.379  -8.689   3.180
  161    HG2  LYS  19           HG2      LYS  19 -15.295  -7.728   1.200
  162    HG3  LYS  19           HG1      LYS  19 -16.658  -6.787   1.809
  163    HD2  LYS  19           HD2      LYS  19 -15.673  -7.331   4.170
  164    HD3  LYS  19           HD1      LYS  19 -14.195  -7.720   3.284
  165    HE2  LYS  19           HE2      LYS  19 -14.438  -5.435   2.166
  166    HE3  LYS  19           HE1      LYS  19 -15.645  -5.078   3.401
  167    HZ1  LYS  19           HZ1      LYS  19 -12.876  -5.978   3.976
  168    HZ2  LYS  19           HZ2      LYS  19 -14.037  -5.465   5.105
  169    HZ3  LYS  19           HZ3      LYS  19 -13.378  -4.358   3.998
  170    HA   PRO  20           HA       PRO  20 -16.529 -14.035   3.585
  171    HB2  PRO  20           HB2      PRO  20 -17.642 -13.212   6.247
  172    HB3  PRO  20           HB1      PRO  20 -16.604 -14.592   5.840
  173    HG2  PRO  20           HG2      PRO  20 -15.638 -12.433   7.083
  174    HG3  PRO  20           HG1      PRO  20 -14.680 -13.327   5.887
  175    HD2  PRO  20           HD2      PRO  20 -16.038 -10.685   5.617
  176    HD3  PRO  20           HD1      PRO  20 -14.548 -11.301   4.855
  177    H    ILE  21           HN       ILE  21 -18.454 -15.083   3.160
  178    HA   ILE  21           HA       ILE  21 -20.702 -13.496   2.400
  179    HB   ILE  21           HB       ILE  21 -20.687 -16.495   2.760
  180   HG12  ILE  21          HG12      ILE  21 -18.690 -15.976   1.496
  181   HG13  ILE  21          HG11      ILE  21 -19.918 -16.527   0.350
  182   HG21  ILE  21          HG21      ILE  21 -22.279 -16.379   0.871
  183   HG22  ILE  21          HG22      ILE  21 -22.118 -14.623   0.849
  184   HG23  ILE  21          HG23      ILE  21 -22.849 -15.423   2.240
  185   HD11  ILE  21          HD11      ILE  21 -19.034 -14.588  -0.671
  186   HD12  ILE  21          HD12      ILE  21 -18.946 -13.717   0.857
  187   HD13  ILE  21          HD13      ILE  21 -20.509 -14.005   0.098
  188    H    GLY  22           HN       GLY  22 -22.812 -13.527   3.257
  189    HA2  GLY  22           HA2      GLY  22 -24.455 -13.896   4.886
  190    HA3  GLY  22           HA1      GLY  22 -23.271 -14.754   5.865
  191    H    ALA  23           HN       ALA  23 -22.109 -11.800   4.669
  192    HA   ALA  23           HA       ALA  23 -21.360  -9.950   5.849
  193    HB1  ALA  23           HB1      ALA  23 -23.706  -9.405   5.120
  194    HB2  ALA  23           HB2      ALA  23 -23.162  -8.517   6.543
  195    HB3  ALA  23           HB3      ALA  23 -24.253  -9.891   6.725
  196    H    SER  24           HN       SER  24 -20.811 -12.288   7.278
  197    HA   SER  24           HA       SER  24 -21.708 -11.995  10.011
  198    HB2  SER  24           HB2      SER  24 -19.604 -13.754   8.737
  199    HB3  SER  24           HB1      SER  24 -20.037 -13.813  10.443
  200    HG   SER  24           HG       SER  24 -22.239 -14.159   9.680
  201    H    TYR  25           HN       TYR  25 -19.242 -10.649   8.071
  202    HA   TYR  25           HA       TYR  25 -17.352 -10.151  10.190
  203    HB2  TYR  25           HB2      TYR  25 -16.181  -8.788   8.530
  204    HB3  TYR  25           HB1      TYR  25 -16.635 -10.346   7.839
  205    HD1  TYR  25           HD2      TYR  25 -17.384  -6.731   7.905
  206    HD2  TYR  25           HD1      TYR  25 -18.357 -10.521   6.134
  207    HE1  TYR  25           HE2      TYR  25 -18.664  -5.571   6.126
  208    HE2  TYR  25           HE1      TYR  25 -19.636  -9.361   4.355
  209    HH   TYR  25           HH       TYR  25 -19.848  -7.250   3.324
  210    H    GLN  26           HN       GLN  26 -20.222  -8.664   9.033
  211    HA   GLN  26           HA       GLN  26 -19.726  -5.973   9.726
  212    HB2  GLN  26           HB2      GLN  26 -21.649  -6.741   8.344
  213    HB3  GLN  26           HB1      GLN  26 -22.367  -7.455   9.789
  214    HG2  GLN  26           HG2      GLN  26 -22.430  -5.246  10.869
  215    HG3  GLN  26           HG1      GLN  26 -21.673  -4.522   9.451
  216   HE21  GLN  26          HE21      GLN  26 -23.151  -3.595   8.038
  217   HE22  GLN  26          HE22      GLN  26 -24.765  -4.085   7.855
  218    H    GLY  27           HN       GLY  27 -21.016  -8.701  11.587
  219    HA2  GLY  27           HA2      GLY  27 -21.497  -7.129  13.950
  220    HA3  GLY  27           HA1      GLY  27 -21.571  -8.884  13.829
  221    H    ILE  28           HN       ILE  28 -18.780  -8.741  12.573
  222    HA   ILE  28           HA       ILE  28 -17.341  -9.215  14.986
  223    HB   ILE  28           HB       ILE  28 -16.461  -8.986  12.101
  224   HG12  ILE  28          HG12      ILE  28 -17.942 -10.943  13.110
  225   HG13  ILE  28          HG11      ILE  28 -16.586 -11.324  12.048
  226   HG21  ILE  28          HG21      ILE  28 -14.365 -10.180  13.065
  227   HG22  ILE  28          HG22      ILE  28 -14.892  -9.546  14.624
  228   HG23  ILE  28          HG23      ILE  28 -14.495  -8.440  13.314
  229   HD11  ILE  28          HD11      ILE  28 -16.773 -12.638  14.271
  230   HD12  ILE  28          HD12      ILE  28 -16.201 -11.164  15.038
  231   HD13  ILE  28          HD13      ILE  28 -15.203 -11.977  13.841
  232    H    LEU  29           HN       LEU  29 -17.784  -6.469  12.923
  233    HA   LEU  29           HA       LEU  29 -15.592  -5.004  14.211
  234    HB2  LEU  29           HB2      LEU  29 -17.361  -4.558  11.826
  235    HB3  LEU  29           HB1      LEU  29 -16.643  -3.146  12.602
  236    HG   LEU  29           HG       LEU  29 -14.401  -4.305  12.415
  237   HD11  LEU  29          HD11      LEU  29 -14.226  -6.160  10.816
  238   HD12  LEU  29          HD12      LEU  29 -15.971  -6.143  10.593
  239   HD13  LEU  29          HD13      LEU  29 -15.287  -6.599  12.147
  240   HD21  LEU  29          HD21      LEU  29 -14.081  -3.654  10.128
  241   HD22  LEU  29          HD22      LEU  29 -15.288  -2.564  10.808
  242   HD23  LEU  29          HD23      LEU  29 -15.789  -3.892   9.761
  243    H    ASP  30           HN       ASP  30 -18.968  -5.457  14.476
  244    HA   ASP  30           HA       ASP  30 -19.773  -2.984  15.547
  245    HB2  ASP  30           HB2      ASP  30 -21.352  -4.755  14.864
  246    HB3  ASP  30           HB1      ASP  30 -20.817  -5.745  16.220
  247    H    GLN  31           HN       GLN  31 -18.347  -5.842  17.067
  248    HA   GLN  31           HA       GLN  31 -18.598  -4.921  19.732
  249    HB2  GLN  31           HB2      GLN  31 -17.900  -7.309  18.633
  250    HB3  GLN  31           HB1      GLN  31 -16.305  -6.713  19.071
  251    HG2  GLN  31           HG2      GLN  31 -16.962  -7.805  21.027
  252    HG3  GLN  31           HG1      GLN  31 -17.405  -6.148  21.364
  253   HE21  GLN  31          HE21      GLN  31 -19.480  -5.961  22.209
  254   HE22  GLN  31          HE22      GLN  31 -20.771  -7.005  21.854
  255    H    LEU  32           HN       LEU  32 -16.135  -4.514  17.263
  256    HA   LEU  32           HA       LEU  32 -14.091  -3.468  18.899
  257    HB2  LEU  32           HB2      LEU  32 -14.767  -3.266  15.977
  258    HB3  LEU  32           HB1      LEU  32 -13.454  -2.288  16.635
  259    HG   LEU  32           HG       LEU  32 -12.324  -4.263  17.431
  260   HD11  LEU  32          HD11      LEU  32 -13.354  -6.537  16.691
  261   HD12  LEU  32          HD12      LEU  32 -14.859  -5.625  16.600
  262   HD13  LEU  32          HD13      LEU  32 -13.998  -5.745  18.128
  263   HD21  LEU  32          HD21      LEU  32 -13.300  -4.650  14.594
  264   HD22  LEU  32          HD22      LEU  32 -11.848  -5.383  15.279
  265   HD23  LEU  32          HD23      LEU  32 -11.945  -3.633  15.082
  266    H    ASP  33           HN       ASP  33 -16.719  -1.867  17.156
  267    HA   ASP  33           HA       ASP  33 -15.963   0.776  17.823
  268    HB2  ASP  33           HB2      ASP  33 -18.615  -0.447  17.056
  269    HB3  ASP  33           HB1      ASP  33 -18.398   1.281  17.326
  270    H    LEU  34           HN       LEU  34 -17.791  -1.683  19.507
  271    HA   LEU  34           HA       LEU  34 -18.891   0.045  21.493
  272    HB2  LEU  34           HB2      LEU  34 -18.515  -2.933  21.322
  273    HB3  LEU  34           HB1      LEU  34 -19.242  -2.163  22.730
  274    HG   LEU  34           HG       LEU  34 -20.230  -1.751  19.890
  275   HD11  LEU  34          HD11      LEU  34 -21.012  -3.773  21.996
  276   HD12  LEU  34          HD12      LEU  34 -20.650  -4.048  20.294
  277   HD13  LEU  34          HD13      LEU  34 -22.151  -3.255  20.754
  278   HD21  LEU  34          HD21      LEU  34 -21.150   0.012  21.081
  279   HD22  LEU  34          HD22      LEU  34 -21.086  -0.833  22.624
  280   HD23  LEU  34          HD23      LEU  34 -22.350  -1.212  21.462
  281    H    VAL  35           HN       VAL  35 -15.823  -1.422  21.039
  282    HA   VAL  35           HA       VAL  35 -14.825  -1.813  23.568
  283    HB   VAL  35           HB       VAL  35 -13.470  -0.547  21.176
  284   HG11  VAL  35          HG11      VAL  35 -11.371  -1.393  22.402
  285   HG12  VAL  35          HG12      VAL  35 -12.390  -1.513  23.839
  286   HG13  VAL  35          HG13      VAL  35 -12.132   0.056  23.067
  287   HG21  VAL  35          HG21      VAL  35 -12.997  -3.323  22.182
  288   HG22  VAL  35          HG22      VAL  35 -12.861  -2.694  20.564
  289   HG23  VAL  35          HG23      VAL  35 -14.443  -3.012  21.242
  290    H    HIS  36           HN       HIS  36 -15.774   1.174  22.110
  291    HA   HIS  36           HA       HIS  36 -14.395   2.803  24.102
  292    HB2  HIS  36           HB2      HIS  36 -14.612   3.601  21.773
  293    HB3  HIS  36           HB1      HIS  36 -16.366   3.600  21.947
  294    HD2  HIS  36           HD2      HIS  36 -17.318   6.027  22.844
  295    HE1  HIS  36           HE1      HIS  36 -13.782   7.428  24.677
  296    HE2  HIS  36           HE2      HIS  36 -16.187   8.012  24.110
  297    H    GLN  37           HN       GLN  37 -17.634   1.621  23.377
  298    HA   GLN  37           HA       GLN  37 -18.880   3.219  25.449
  299    HB2  GLN  37           HB2      GLN  37 -19.899   0.971  23.699
  300    HB3  GLN  37           HB1      GLN  37 -20.895   1.829  24.874
  301    HG2  GLN  37           HG2      GLN  37 -20.470   3.951  23.733
  302    HG3  GLN  37           HG1      GLN  37 -19.395   3.146  22.592
  303   HE21  GLN  37          HE21      GLN  37 -21.197   4.238  21.109
  304   HE22  GLN  37          HE22      GLN  37 -22.516   3.238  20.726
  305    H    ALA  38           HN       ALA  38 -17.703  -0.083  25.062
  306    HA   ALA  38           HA       ALA  38 -18.851  -1.075  27.482
  307    HB1  ALA  38           HB1      ALA  38 -18.174  -2.527  25.576
  308    HB2  ALA  38           HB2      ALA  38 -17.444  -3.021  27.103
  309    HB3  ALA  38           HB3      ALA  38 -16.488  -2.136  25.915
  310    H    LYS  39           HN       LYS  39 -17.799  -1.534  29.441
  311    HA   LYS  39           HA       LYS  39 -15.099  -0.640  29.925
  312    HB2  LYS  39           HB2      LYS  39 -16.128   0.907  31.863
  313    HB3  LYS  39           HB1      LYS  39 -15.810   1.535  30.247
  314    HG2  LYS  39           HG2      LYS  39 -18.076   2.136  31.021
  315    HG3  LYS  39           HG1      LYS  39 -18.145   1.102  29.601
  316    HD2  LYS  39           HD2      LYS  39 -18.836  -0.776  30.824
  317    HD3  LYS  39           HD1      LYS  39 -18.231  -0.129  32.354
  318    HE2  LYS  39           HE2      LYS  39 -19.994   1.562  32.356
  319    HE3  LYS  39           HE1      LYS  39 -20.568   0.998  30.786
  320    HZ1  LYS  39           HZ1      LYS  39 -21.793   0.127  32.775
  321    HZ2  LYS  39           HZ2      LYS  39 -20.396  -0.761  33.164
  322    HZ3  LYS  39           HZ3      LYS  39 -21.217  -1.054  31.704
  323    H    GLY  40           HN       GLY  40 -14.363  -1.167  32.067
  324    HA2  GLY  40           HA2      GLY  40 -14.202  -2.551  33.895
  325    HA3  GLY  40           HA1      GLY  40 -15.937  -2.316  34.084
  326    H    ARG  41           HN       ARG  41 -16.858  -4.252  34.310
  327    HA   ARG  41           HA       ARG  41 -15.803  -6.693  33.404
  328    HB2  ARG  41           HB2      ARG  41 -17.491  -6.483  35.213
  329    HB3  ARG  41           HB1      ARG  41 -18.699  -6.038  34.007
  330    HG2  ARG  41           HG2      ARG  41 -18.291  -8.218  32.849
  331    HG3  ARG  41           HG1      ARG  41 -17.174  -8.657  34.141
  332    HD2  ARG  41           HD2      ARG  41 -20.087  -7.937  34.551
  333    HD3  ARG  41           HD1      ARG  41 -19.470  -9.586  34.463
  334    HE   ARG  41           HE       ARG  41 -19.186  -7.749  36.693
  335   HH11  ARG  41          HH21      ARG  41 -18.010 -10.562  35.055
  336   HH12  ARG  41          HH22      ARG  41 -17.258 -11.236  36.462
  337   HH21  ARG  41          HH11      ARG  41 -18.203  -8.628  38.542
  338   HH22  ARG  41          HH12      ARG  41 -17.367 -10.141  38.437
  339    H    ASP  42           HN       ASP  42 -18.191  -4.502  31.972
  340    HA   ASP  42           HA       ASP  42 -19.019  -6.134  29.847
  341    HB2  ASP  42           HB2      ASP  42 -20.045  -3.947  30.580
  342    HB3  ASP  42           HB1      ASP  42 -18.726  -3.129  29.743
  343    H    GLN  43           HN       GLN  43 -16.220  -4.020  30.198
  344    HA   GLN  43           HA       GLN  43 -15.403  -4.153  27.476
  345    HB2  GLN  43           HB2      GLN  43 -14.510  -2.883  29.870
  346    HB3  GLN  43           HB1      GLN  43 -13.136  -3.801  29.267
  347    HG2  GLN  43           HG2      GLN  43 -13.325  -2.738  27.087
  348    HG3  GLN  43           HG1      GLN  43 -14.779  -1.896  27.586
  349   HE21  GLN  43          HE21      GLN  43 -12.985  -0.135  26.784
  350   HE22  GLN  43          HE22      GLN  43 -12.128   0.575  28.066
  351    H    ILE  44           HN       ILE  44 -14.296  -5.888  30.362
  352    HA   ILE  44           HA       ILE  44 -12.430  -7.537  29.058
  353    HB   ILE  44           HB       ILE  44 -14.001  -7.980  31.608
  354   HG12  ILE  44          HG12      ILE  44 -11.093  -7.225  31.211
  355   HG13  ILE  44          HG11      ILE  44 -12.376  -6.026  31.427
  356   HG21  ILE  44          HG21      ILE  44 -11.769  -9.553  30.309
  357   HG22  ILE  44          HG22      ILE  44 -13.306 -10.150  30.934
  358   HG23  ILE  44          HG23      ILE  44 -12.053  -9.611  32.050
  359   HD11  ILE  44          HD11      ILE  44 -12.964  -6.997  33.593
  360   HD12  ILE  44          HD12      ILE  44 -11.246  -6.599  33.574
  361   HD13  ILE  44          HD13      ILE  44 -11.765  -8.272  33.374
  362    H    ALA  45           HN       ALA  45 -15.862  -8.022  29.818
  363    HA   ALA  45           HA       ALA  45 -16.172 -10.665  29.062
  364    HB1  ALA  45           HB1      ALA  45 -18.497 -10.180  28.741
  365    HB2  ALA  45           HB2      ALA  45 -18.160  -8.479  28.423
  366    HB3  ALA  45           HB3      ALA  45 -17.932  -9.133  30.043
  367    H    ALA  46           HN       ALA  46 -16.038  -7.783  27.020
  368    HA   ALA  46           HA       ALA  46 -16.734  -9.025  24.569
  369    HB1  ALA  46           HB1      ALA  46 -15.879  -6.427  25.464
  370    HB2  ALA  46           HB2      ALA  46 -16.671  -6.875  23.956
  371    HB3  ALA  46           HB3      ALA  46 -14.910  -6.885  24.062
  372    H    SER  47           HN       SER  47 -13.698  -8.693  26.306
  373    HA   SER  47           HA       SER  47 -11.992  -9.464  24.227
  374    HB2  SER  47           HB2      SER  47 -11.232  -8.466  26.385
  375    HB3  SER  47           HB1      SER  47 -11.627  -9.976  27.188
  376    HG   SER  47           HG       SER  47  -9.709 -10.576  26.611
  377    H    PHE  48           HN       PHE  48 -13.272 -11.432  26.906
  378    HA   PHE  48           HA       PHE  48 -12.293 -13.895  25.924
  379    HB2  PHE  48           HB2      PHE  48 -14.483 -13.176  27.871
  380    HB3  PHE  48           HB1      PHE  48 -14.112 -14.853  27.468
  381    HD1  PHE  48           HD2      PHE  48 -11.913 -15.829  28.020
  382    HD2  PHE  48           HD1      PHE  48 -12.950 -11.825  29.180
  383    HE1  PHE  48           HE2      PHE  48 -10.012 -15.798  29.611
  384    HE2  PHE  48           HE1      PHE  48 -11.049 -11.794  30.770
  385    HZ   PHE  48           HZ       PHE  48  -9.579 -13.780  30.987
  386    H    GLU  49           HN       GLU  49 -15.165 -12.048  25.224
  387    HA   GLU  49           HA       GLU  49 -16.744 -14.096  24.104
  388    HB2  GLU  49           HB2      GLU  49 -17.563 -11.811  24.688
  389    HB3  GLU  49           HB1      GLU  49 -16.672 -11.176  23.305
  390    HG2  GLU  49           HG2      GLU  49 -17.967 -12.613  21.788
  391    HG3  GLU  49           HG1      GLU  49 -18.838 -13.292  23.162
  392    H    LEU  50           HN       LEU  50 -14.856 -11.607  22.373
  393    HA   LEU  50           HA       LEU  50 -15.019 -12.937  19.880
  394    HB2  LEU  50           HB2      LEU  50 -13.478 -10.626  20.971
  395    HB3  LEU  50           HB1      LEU  50 -12.916 -11.336  19.459
  396    HG   LEU  50           HG       LEU  50 -15.158 -11.048  18.479
  397   HD11  LEU  50          HD11      LEU  50 -16.517 -11.254  20.491
  398   HD12  LEU  50          HD12      LEU  50 -16.831  -9.695  19.742
  399   HD13  LEU  50          HD13      LEU  50 -15.791  -9.795  21.165
  400   HD21  LEU  50          HD21      LEU  50 -13.501  -9.235  18.261
  401   HD22  LEU  50          HD22      LEU  50 -14.075  -8.526  19.771
  402   HD23  LEU  50          HD23      LEU  50 -15.135  -8.584  18.364
  403    H    ASN  51           HN       ASN  51 -12.764 -13.104  22.530
  404    HA   ASN  51           HA       ASN  51 -10.489 -14.123  21.474
  405    HB2  ASN  51           HB2      ASN  51 -10.859 -13.863  23.891
  406    HB3  ASN  51           HB1      ASN  51 -11.949 -15.246  23.879
  407   HD21  ASN  51          HD21      ASN  51  -9.500 -15.155  25.441
  408   HD22  ASN  51          HD22      ASN  51  -8.462 -16.347  24.824
  409    H    LYS  52           HN       LYS  52 -13.219 -16.202  22.429
  410    HA   LYS  52           HA       LYS  52 -12.195 -18.504  21.109
  411    HB2  LYS  52           HB2      LYS  52 -14.918 -17.779  22.191
  412    HB3  LYS  52           HB1      LYS  52 -14.621 -19.322  21.394
  413    HG2  LYS  52           HG2      LYS  52 -14.132 -19.963  23.569
  414    HG3  LYS  52           HG1      LYS  52 -12.537 -19.390  23.114
  415    HD2  LYS  52           HD2      LYS  52 -12.833 -18.208  25.088
  416    HD3  LYS  52           HD1      LYS  52 -13.487 -17.048  23.942
  417    HE2  LYS  52           HE2      LYS  52 -15.106 -17.213  25.690
  418    HE3  LYS  52           HE1      LYS  52 -15.765 -18.130  24.337
  419    HZ1  LYS  52           HZ1      LYS  52 -15.243 -20.137  25.328
  420    HZ2  LYS  52           HZ2      LYS  52 -15.773 -19.199  26.642
  421    HZ3  LYS  52           HZ3      LYS  52 -14.112 -19.450  26.389
  422    H    LYS  53           HN       LYS  53 -14.390 -15.949  20.151
  423    HA   LYS  53           HA       LYS  53 -15.406 -17.148  17.831
  424    HB2  LYS  53           HB2      LYS  53 -16.054 -14.927  19.034
  425    HB3  LYS  53           HB1      LYS  53 -14.857 -14.190  17.976
  426    HG2  LYS  53           HG2      LYS  53 -16.005 -15.070  16.002
  427    HG3  LYS  53           HG1      LYS  53 -17.184 -15.882  17.025
  428    HD2  LYS  53           HD2      LYS  53 -16.735 -12.897  17.161
  429    HD3  LYS  53           HD1      LYS  53 -17.892 -13.617  16.044
  430    HE2  LYS  53           HE2      LYS  53 -18.893 -14.805  18.094
  431    HE3  LYS  53           HE1      LYS  53 -17.934 -13.691  19.064
  432    HZ1  LYS  53           HZ1      LYS  53 -20.376 -13.157  18.197
  433    HZ2  LYS  53           HZ2      LYS  53 -19.465 -12.491  16.927
  434    HZ3  LYS  53           HZ3      LYS  53 -19.216 -11.965  18.523
  435    H    ILE  54           HN       ILE  54 -12.541 -15.102  18.311
  436    HA   ILE  54           HA       ILE  54 -11.773 -14.995  15.592
  437    HB   ILE  54           HB       ILE  54 -10.172 -14.701  18.146
  438   HG12  ILE  54          HG12      ILE  54 -11.102 -12.615  16.154
  439   HG13  ILE  54          HG11      ILE  54 -12.015 -13.038  17.603
  440   HG21  ILE  54          HG21      ILE  54  -9.407 -14.360  15.243
  441   HG22  ILE  54          HG22      ILE  54  -8.562 -15.267  16.493
  442   HG23  ILE  54          HG23      ILE  54  -8.550 -13.501  16.525
  443   HD11  ILE  54          HD11      ILE  54 -10.077 -12.435  19.007
  444   HD12  ILE  54          HD12      ILE  54 -10.572 -11.068  18.006
  445   HD13  ILE  54          HD13      ILE  54  -9.156 -12.021  17.561
  446    H    ASN  55           HN       ASN  55 -10.742 -17.105  18.271
  447    HA   ASN  55           HA       ASN  55  -8.930 -18.649  16.736
  448    HB2  ASN  55           HB2      ASN  55  -9.013 -18.535  19.248
  449    HB3  ASN  55           HB1      ASN  55 -10.453 -19.549  19.187
  450   HD21  ASN  55          HD21      ASN  55  -9.427 -21.399  20.191
  451   HD22  ASN  55          HD22      ASN  55  -8.216 -22.289  19.402
  452    H    ASP  56           HN       ASP  56 -12.336 -19.119  17.612
  453    HA   ASP  56           HA       ASP  56 -12.633 -21.645  16.367
  454    HB2  ASP  56           HB2      ASP  56 -14.182 -20.605  18.083
  455    HB3  ASP  56           HB1      ASP  56 -14.820 -19.605  16.778
  456    H    TYR  57           HN       TYR  57 -13.165 -18.332  15.248
  457    HA   TYR  57           HA       TYR  57 -14.372 -18.914  12.785
  458    HB2  TYR  57           HB2      TYR  57 -14.310 -16.648  13.671
  459    HB3  TYR  57           HB1      TYR  57 -12.550 -16.619  13.554
  460    HD1  TYR  57           HD1      TYR  57 -15.678 -16.911  11.545
  461    HD2  TYR  57           HD2      TYR  57 -11.463 -16.079  11.511
  462    HE1  TYR  57           HE1      TYR  57 -15.846 -16.152   9.189
  463    HE2  TYR  57           HE2      TYR  57 -11.633 -15.319   9.158
  464    HH   TYR  57           HH       TYR  57 -14.220 -14.381   7.711
  465    H    ILE  58           HN       ILE  58 -10.938 -18.473  13.602
  466    HA   ILE  58           HA       ILE  58  -9.935 -18.897  10.995
  467    HB   ILE  58           HB       ILE  58  -8.655 -19.284  13.709
  468   HG12  ILE  58          HG12      ILE  58  -8.241 -17.106  11.642
  469   HG13  ILE  58          HG11      ILE  58  -9.424 -16.969  12.951
  470   HG21  ILE  58          HG21      ILE  58  -7.532 -19.451  10.905
  471   HG22  ILE  58          HG22      ILE  58  -7.381 -20.631  12.207
  472   HG23  ILE  58          HG23      ILE  58  -6.515 -19.098  12.303
  473   HD11  ILE  58          HD11      ILE  58  -7.102 -15.966  13.391
  474   HD12  ILE  58          HD12      ILE  58  -6.523 -17.631  13.481
  475   HD13  ILE  58          HD13      ILE  58  -7.738 -17.055  14.623
  476    H    ALA  59           HN       ALA  59 -10.536 -21.098  13.708
  477    HA   ALA  59           HA       ALA  59  -9.383 -23.413  12.663
  478    HB1  ALA  59           HB1      ALA  59 -10.830 -24.638  14.189
  479    HB2  ALA  59           HB2      ALA  59 -11.892 -23.239  14.349
  480    HB3  ALA  59           HB3      ALA  59 -10.248 -23.175  14.984
  481    H    GLU  60           HN       GLU  60 -12.357 -21.801  11.849
  482    HA   GLU  60           HA       GLU  60 -13.601 -24.001  10.510
  483    HB2  GLU  60           HB2      GLU  60 -14.846 -22.010  11.328
  484    HB3  GLU  60           HB1      GLU  60 -14.038 -21.033  10.102
  485    HG2  GLU  60           HG2      GLU  60 -14.996 -22.422   8.324
  486    HG3  GLU  60           HG1      GLU  60 -15.763 -23.457   9.527
  487    H    HIS  61           HN       HIS  61 -11.548 -21.301   9.478
  488    HA   HIS  61           HA       HIS  61 -10.982 -22.754   6.969
  489    HB2  HIS  61           HB2      HIS  61 -11.872 -19.882   7.200
  490    HB3  HIS  61           HB1      HIS  61 -11.059 -20.535   5.776
  491    HD2  HIS  61           HD2      HIS  61 -12.570 -23.180   5.042
  492    HE1  HIS  61           HE1      HIS  61 -16.222 -21.224   5.852
  493    HE2  HIS  61           HE2      HIS  61 -15.161 -23.237   4.724
  494    HA   PRO  62           HA       PRO  62  -7.236 -20.994   9.130
  495    HB2  PRO  62           HB2      PRO  62  -5.890 -23.362   9.456
  496    HB3  PRO  62           HB1      PRO  62  -7.060 -22.739  10.636
  497    HG2  PRO  62           HG2      PRO  62  -7.405 -24.854   8.563
  498    HG3  PRO  62           HG1      PRO  62  -8.056 -24.771  10.210
  499    HD2  PRO  62           HD2      PRO  62  -9.518 -24.175   7.947
  500    HD3  PRO  62           HD1      PRO  62  -9.888 -23.520   9.554
  501    H    THR  63           HN       THR  63  -7.942 -22.785   6.326
  502    HA   THR  63           HA       THR  63  -5.322 -23.016   5.220
  503    HB   THR  63           HB       THR  63  -6.773 -24.421   4.094
  504    HG1  THR  63           HG1      THR  63  -6.694 -23.671   2.131
  505   HG21  THR  63          HG21      THR  63  -8.808 -22.231   4.522
  506   HG22  THR  63          HG22      THR  63  -8.820 -23.880   5.150
  507   HG23  THR  63          HG23      THR  63  -9.122 -23.587   3.437
  508    H    SER  64           HN       SER  64  -7.653 -20.446   5.423
  509    HA   SER  64           HA       SER  64  -6.524 -18.855   3.302
  510    HB2  SER  64           HB2      SER  64  -8.840 -18.508   3.849
  511    HB3  SER  64           HB1      SER  64  -8.451 -18.218   5.540
  512    HG   SER  64           HG       SER  64  -7.705 -16.270   5.050
  513    H    GLY  65           HN       GLY  65  -4.831 -17.521   3.408
  514    HA2  GLY  65           HA2      GLY  65  -3.185 -17.390   5.729
  515    HA3  GLY  65           HA1      GLY  65  -2.961 -16.465   4.247
  516    H    ARG  66           HN       ARG  66  -5.579 -15.240   4.299
  517    HA   ARG  66           HA       ARG  66  -5.000 -12.940   5.831
  518    HB2  ARG  66           HB2      ARG  66  -7.631 -13.849   4.633
  519    HB3  ARG  66           HB1      ARG  66  -7.285 -12.223   5.214
  520    HG2  ARG  66           HG2      ARG  66  -5.516 -13.520   3.139
  521    HG3  ARG  66           HG1      ARG  66  -7.008 -12.710   2.664
  522    HD2  ARG  66           HD2      ARG  66  -6.216 -10.659   3.859
  523    HD3  ARG  66           HD1      ARG  66  -4.691 -11.467   4.181
  524    HE   ARG  66           HE       ARG  66  -5.608 -10.453   1.611
  525   HH11  ARG  66          HH21      ARG  66  -3.390 -12.408   3.411
  526   HH12  ARG  66          HH22      ARG  66  -2.171 -12.400   2.183
  527   HH21  ARG  66          HH11      ARG  66  -4.014 -10.438  -0.004
  528   HH22  ARG  66          HH12      ARG  66  -2.525 -11.285   0.248
  529    H    ASN  67           HN       ASN  67  -7.012 -15.751   6.446
  530    HA   ASN  67           HA       ASN  67  -8.368 -14.798   8.719
  531    HB2  ASN  67           HB2      ASN  67  -7.606 -17.553   7.769
  532    HB3  ASN  67           HB1      ASN  67  -8.443 -17.321   9.305
  533   HD21  ASN  67          HD21      ASN  67  -9.784 -18.726   7.293
  534   HD22  ASN  67          HD22      ASN  67 -11.043 -17.773   6.673
  535    H    GLN  68           HN       GLN  68  -5.116 -15.942   8.274
  536    HA   GLN  68           HA       GLN  68  -4.543 -16.523  11.001
  537    HB2  GLN  68           HB2      GLN  68  -3.190 -17.296   9.017
  538    HB3  GLN  68           HB1      GLN  68  -2.586 -15.647   8.866
  539    HG2  GLN  68           HG2      GLN  68  -0.979 -16.914  10.159
  540    HG3  GLN  68           HG1      GLN  68  -1.787 -15.795  11.247
  541   HE21  GLN  68          HE21      GLN  68  -1.633 -17.065  13.176
  542   HE22  GLN  68          HE22      GLN  68  -2.401 -18.570  13.346
  543    H    ALA  69           HN       ALA  69  -4.780 -13.597   9.175
  544    HA   ALA  69           HA       ALA  69  -3.146 -11.968  10.881
  545    HB1  ALA  69           HB1      ALA  69  -3.654 -11.364   8.534
  546    HB2  ALA  69           HB2      ALA  69  -4.123 -10.091   9.660
  547    HB3  ALA  69           HB3      ALA  69  -5.350 -11.153   8.970
  548    H    LEU  70           HN       LEU  70  -6.410 -13.109  10.983
  549    HA   LEU  70           HA       LEU  70  -7.551 -11.122  12.640
  550    HB2  LEU  70           HB2      LEU  70  -8.184 -14.016  12.097
  551    HB3  LEU  70           HB1      LEU  70  -9.087 -13.126  13.307
  552    HG   LEU  70           HG       LEU  70 -10.119 -13.100  10.995
  553   HD11  LEU  70          HD11      LEU  70 -10.149 -11.165  12.908
  554   HD12  LEU  70          HD12      LEU  70 -10.998 -11.011  11.380
  555   HD13  LEU  70          HD13      LEU  70  -9.427 -10.249  11.587
  556   HD21  LEU  70          HD21      LEU  70  -7.813 -12.881   9.881
  557   HD22  LEU  70          HD22      LEU  70  -7.873 -11.179  10.329
  558   HD23  LEU  70          HD23      LEU  70  -9.085 -11.846   9.240
  559    H    THR  71           HN       THR  71  -5.817 -14.107  13.381
  560    HA   THR  71           HA       THR  71  -6.177 -14.245  16.117
  561    HB   THR  71           HB       THR  71  -3.557 -14.758  14.692
  562    HG1  THR  71           HG1      THR  71  -4.391 -16.734  14.199
  563   HG21  THR  71          HG21      THR  71  -3.365 -14.870  17.104
  564   HG22  THR  71          HG22      THR  71  -3.365 -16.516  16.468
  565   HG23  THR  71          HG23      THR  71  -4.822 -15.857  17.211
  566    H    GLN  72           HN       GLN  72  -4.456 -11.882  14.276
  567    HA   GLN  72           HA       GLN  72  -2.642 -10.955  16.217
  568    HB2  GLN  72           HB2      GLN  72  -2.578 -10.307  13.818
  569    HB3  GLN  72           HB1      GLN  72  -4.041  -9.353  14.060
  570    HG2  GLN  72           HG2      GLN  72  -2.110  -7.888  14.208
  571    HG3  GLN  72           HG1      GLN  72  -2.842  -8.028  15.801
  572   HE21  GLN  72          HE21      GLN  72  -0.837 -10.561  14.297
  573   HE22  GLN  72          HE22      GLN  72   0.435 -10.446  15.415
  574    H    LEU  73           HN       LEU  73  -5.989 -10.012  15.501
  575    HA   LEU  73           HA       LEU  73  -6.160  -7.903  17.365
  576    HB2  LEU  73           HB2      LEU  73  -8.171  -9.685  16.008
  577    HB3  LEU  73           HB1      LEU  73  -8.707  -8.570  17.266
  578    HG   LEU  73           HG       LEU  73  -7.694  -6.690  16.037
  579   HD11  LEU  73          HD11      LEU  73  -6.980  -7.199  13.636
  580   HD12  LEU  73          HD12      LEU  73  -6.921  -8.894  14.119
  581   HD13  LEU  73          HD13      LEU  73  -5.866  -7.716  14.902
  582   HD21  LEU  73          HD21      LEU  73  -9.236  -6.754  14.064
  583   HD22  LEU  73          HD22      LEU  73 -10.024  -7.209  15.573
  584   HD23  LEU  73          HD23      LEU  73  -9.552  -8.452  14.415
  585    H    LYS  74           HN       LYS  74  -6.762 -11.378  17.675
  586    HA   LYS  74           HA       LYS  74  -7.930 -11.431  20.198
  587    HB2  LYS  74           HB2      LYS  74  -7.627 -13.394  18.683
  588    HB3  LYS  74           HB1      LYS  74  -5.922 -13.414  19.126
  589    HG2  LYS  74           HG2      LYS  74  -6.514 -13.747  21.484
  590    HG3  LYS  74           HG1      LYS  74  -8.224 -13.653  21.084
  591    HD2  LYS  74           HD2      LYS  74  -7.824 -15.976  21.166
  592    HD3  LYS  74           HD1      LYS  74  -7.748 -15.614  19.445
  593    HE2  LYS  74           HE2      LYS  74  -5.337 -15.607  19.478
  594    HE3  LYS  74           HE1      LYS  74  -5.303 -15.686  21.237
  595    HZ1  LYS  74           HZ1      LYS  74  -6.798 -17.790  19.945
  596    HZ2  LYS  74           HZ2      LYS  74  -5.689 -17.866  21.232
  597    HZ3  LYS  74           HZ3      LYS  74  -5.131 -17.807  19.628
  598    H    GLU  75           HN       GLU  75  -4.456 -11.773  19.426
  599    HA   GLU  75           HA       GLU  75  -3.611 -11.672  22.140
  600    HB2  GLU  75           HB2      GLU  75  -1.347 -11.300  21.156
  601    HB3  GLU  75           HB1      GLU  75  -2.189 -12.689  20.467
  602    HG2  GLU  75           HG2      GLU  75  -2.868 -11.369  18.532
  603    HG3  GLU  75           HG1      GLU  75  -2.142  -9.922  19.228
  604    H    GLN  76           HN       GLN  76  -4.396  -9.255  19.785
  605    HA   GLN  76           HA       GLN  76  -2.947  -7.097  20.907
  606    HB2  GLN  76           HB2      GLN  76  -4.090  -7.244  18.596
  607    HB3  GLN  76           HB1      GLN  76  -5.570  -6.800  19.442
  608    HG2  GLN  76           HG2      GLN  76  -4.548  -4.774  18.610
  609    HG3  GLN  76           HG1      GLN  76  -4.354  -4.798  20.362
  610   HE21  GLN  76          HE21      GLN  76  -2.291  -4.101  20.916
  611   HE22  GLN  76          HE22      GLN  76  -0.876  -4.452  20.048
  612    H    VAL  77           HN       VAL  77  -6.080  -8.511  21.609
  613    HA   VAL  77           HA       VAL  77  -7.200  -6.462  23.114
  614    HB   VAL  77           HB       VAL  77  -7.491  -9.413  23.725
  615   HG11  VAL  77          HG11      VAL  77  -9.154  -6.940  24.174
  616   HG12  VAL  77          HG12      VAL  77  -8.684  -8.173  25.335
  617   HG13  VAL  77          HG13      VAL  77  -9.904  -8.526  24.116
  618   HG21  VAL  77          HG21      VAL  77  -9.537  -8.958  22.035
  619   HG22  VAL  77          HG22      VAL  77  -7.966  -9.482  21.459
  620   HG23  VAL  77          HG23      VAL  77  -8.402  -7.778  21.377
  621    H    THR  78           HN       THR  78  -5.087  -9.129  24.142
  622    HA   THR  78           HA       THR  78  -5.074  -8.664  26.884
  623    HB   THR  78           HB       THR  78  -2.745  -9.653  26.803
  624    HG1  THR  78           HG1      THR  78  -2.594  -8.724  24.524
  625   HG21  THR  78          HG21      THR  78  -4.889 -11.077  25.206
  626   HG22  THR  78          HG22      THR  78  -4.806 -11.020  26.968
  627   HG23  THR  78          HG23      THR  78  -3.542 -11.840  26.049
  628    H    SER  79           HN       SER  79  -3.200  -7.099  24.322
  629    HA   SER  79           HA       SER  79  -1.533  -5.547  26.014
  630    HB2  SER  79           HB2      SER  79  -2.460  -4.862  23.220
  631    HB3  SER  79           HB1      SER  79  -1.022  -4.257  24.038
  632    HG   SER  79           HG       SER  79  -0.617  -6.698  24.234
  633    H    ALA  80           HN       ALA  80  -4.732  -5.013  24.605
  634    HA   ALA  80           HA       ALA  80  -5.039  -2.297  25.241
  635    HB1  ALA  80           HB1      ALA  80  -7.423  -2.678  25.008
  636    HB2  ALA  80           HB2      ALA  80  -7.205  -4.411  25.232
  637    HB3  ALA  80           HB3      ALA  80  -6.583  -3.628  23.784
  638    H    LEU  81           HN       LEU  81  -6.006  -5.183  27.096
  639    HA   LEU  81           HA       LEU  81  -6.887  -3.703  29.370
  640    HB2  LEU  81           HB2      LEU  81  -6.052  -6.600  29.097
  641    HB3  LEU  81           HB1      LEU  81  -6.865  -5.916  30.500
  642    HG   LEU  81           HG       LEU  81  -7.992  -5.758  27.697
  643   HD11  LEU  81          HD11      LEU  81  -7.895  -8.102  28.200
  644   HD12  LEU  81          HD12      LEU  81  -9.549  -7.597  28.545
  645   HD13  LEU  81          HD13      LEU  81  -8.406  -7.832  29.867
  646   HD21  LEU  81          HD21      LEU  81  -9.069  -4.136  29.043
  647   HD22  LEU  81          HD22      LEU  81  -9.021  -5.149  30.480
  648   HD23  LEU  81          HD23      LEU  81 -10.139  -5.521  29.176
  649    H    GLY  82           HN       GLY  82  -3.819  -5.053  28.371
  650    HA2  GLY  82           HA2      GLY  82  -1.728  -5.032  29.349
  651    HA3  GLY  82           HA1      GLY  82  -2.197  -3.423  29.887
  652    H    LEU  83           HN       LEU  83  -3.768  -6.435  30.843
  653    HA   LEU  83           HA       LEU  83  -3.556  -5.768  33.624
  654    HB2  LEU  83           HB2      LEU  83  -4.733  -7.834  34.021
  655    HB3  LEU  83           HB1      LEU  83  -5.467  -7.002  32.653
  656    HG   LEU  83           HG       LEU  83  -3.528  -8.536  31.383
  657   HD11  LEU  83          HD11      LEU  83  -4.762 -10.366  33.442
  658   HD12  LEU  83          HD12      LEU  83  -3.197  -9.611  33.716
  659   HD13  LEU  83          HD13      LEU  83  -3.426 -10.694  32.341
  660   HD21  LEU  83          HD21      LEU  83  -5.864  -8.288  30.689
  661   HD22  LEU  83          HD22      LEU  83  -6.386  -9.313  32.022
  662   HD23  LEU  83          HD23      LEU  83  -5.408  -9.989  30.718
  663    H    GLU  84           HN       GLU  84  -1.777  -7.807  31.409
  664    HA   GLU  84           HA       GLU  84   0.101  -8.492  33.607
  665    HB2  GLU  84           HB2      GLU  84  -1.193 -10.478  32.940
  666    HB3  GLU  84           HB1      GLU  84  -0.677 -10.253  31.270
  667    HG2  GLU  84           HG2      GLU  84   1.660 -10.543  31.928
  668    HG3  GLU  84           HG1      GLU  84   1.190 -10.664  33.622
  669    H    HIS  85           HN       HIS  85   2.169  -8.009  33.247
  670    HA   HIS  85           HA       HIS  85   2.939  -6.429  31.026
  671    HB2  HIS  85           HB2      HIS  85   4.039  -6.344  33.256
  672    HB3  HIS  85           HB1      HIS  85   4.721  -7.943  32.952
  673    HD2  HIS  85           HD2      HIS  85   4.985  -4.322  31.323
  674    HE1  HIS  85           HE1      HIS  85   8.427  -6.547  30.311
  675    HE2  HIS  85           HE2      HIS  85   7.313  -4.271  30.143
  676    H    HIS  86           HN       HIS  86   3.503  -9.841  31.842
  677    HA   HIS  86           HA       HIS  86   4.901 -10.313  29.326
  678    HB2  HIS  86           HB2      HIS  86   4.103 -12.171  31.578
  679    HB3  HIS  86           HB1      HIS  86   5.036 -12.653  30.161
  680    HD2  HIS  86           HD2      HIS  86   7.722 -11.710  30.123
  681    HE1  HIS  86           HE1      HIS  86   7.625  -9.964  33.965
  682    HE2  HIS  86           HE2      HIS  86   9.134 -10.622  32.032
  683    H    HIS  87           HN       HIS  87   4.200 -12.191  27.969
  684    HA   HIS  87           HA       HIS  87   1.452 -11.817  27.184
  685    HB2  HIS  87           HB2      HIS  87   1.982 -13.354  25.367
  686    HB3  HIS  87           HB1      HIS  87   3.274 -12.164  25.535
  687    HD2  HIS  87           HD2      HIS  87   2.777 -16.006  25.806
  688    HE1  HIS  87           HE1      HIS  87   6.743 -15.173  26.988
  689    HE2  HIS  87           HE2      HIS  87   5.107 -17.024  26.402
  690    H    HIS  88           HN       HIS  88  -0.128 -13.499  27.011
  691    HA   HIS  88           HA       HIS  88  -0.212 -15.194  29.339
  692    HB2  HIS  88           HB2      HIS  88  -2.082 -14.817  26.995
  693    HB3  HIS  88           HB1      HIS  88  -2.406 -15.935  28.320
  694    HD2  HIS  88           HD2      HIS  88  -3.169 -14.709  30.750
  695    HE1  HIS  88           HE1      HIS  88  -3.036 -10.733  29.335
  696    HE2  HIS  88           HE2      HIS  88  -3.727 -12.214  31.279
  697    H    HIS  89           HN       HIS  89  -0.016 -17.391  29.457
  698    HA   HIS  89           HA       HIS  89   1.491 -18.692  27.384
  699    HB2  HIS  89           HB2      HIS  89   1.511 -20.607  28.877
  700    HB3  HIS  89           HB1      HIS  89   1.827 -19.145  29.811
  701    HD2  HIS  89           HD2      HIS  89   0.057 -18.765  31.910
  702    HE1  HIS  89           HE1      HIS  89  -2.883 -21.543  30.701
  703    HE2  HIS  89           HE2      HIS  89  -2.188 -19.937  32.543
  704    H    HIS  90           HN       HIS  90   0.870 -20.497  26.150
  705    HA   HIS  90           HA       HIS  90  -0.551 -21.637  24.748
  706    HB2  HIS  90           HB2      HIS  90  -1.074 -22.832  26.821
  707    HB3  HIS  90           HB1      HIS  90  -2.282 -21.615  27.232
  708    HD2  HIS  90           HD2      HIS  90  -4.786 -22.111  26.140
  709    HE1  HIS  90           HE1      HIS  90  -3.624 -25.074  23.366
  710    HE2  HIS  90           HE2      HIS  90  -5.607 -23.844  24.369
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  -2.147   5.578  25.592
    2    H2   MET   1           HT2      MET   1  -1.336   4.409  24.662
    3    H3   MET   1           HT3      MET   1  -0.500   5.274  25.861
    4    HA   MET   1           HA       MET   1  -0.863   3.408  27.052
    5    HB2  MET   1           HB2      MET   1  -2.118   5.246  28.154
    6    HB3  MET   1           HB1      MET   1  -3.564   4.775  27.259
    7    HG2  MET   1           HG2      MET   1  -3.531   2.564  28.313
    8    HG3  MET   1           HG1      MET   1  -2.040   2.971  29.161
    9    HE1  MET   1           HE1      MET   1  -5.889   2.834  29.596
   10    HE2  MET   1           HE2      MET   1  -5.515   3.967  28.300
   11    HE3  MET   1           HE3      MET   1  -6.265   4.552  29.783
   12    H    GLY   2           HN       GLY   2  -0.795   1.841  25.321
   13    HA2  GLY   2           HA2      GLY   2  -1.618  -0.117  24.407
   14    HA3  GLY   2           HA1      GLY   2  -3.143   0.194  25.233
   15    H    GLN   3           HN       GLN   3  -3.196  -0.831  22.700
   16    HA   GLN   3           HA       GLN   3  -4.604   1.272  21.266
   17    HB2  GLN   3           HB2      GLN   3  -3.337   0.910  19.171
   18    HB3  GLN   3           HB1      GLN   3  -2.327   1.598  20.443
   19    HG2  GLN   3           HG2      GLN   3  -1.508  -0.687  20.988
   20    HG3  GLN   3           HG1      GLN   3  -2.459  -1.323  19.651
   21   HE21  GLN   3          HE21      GLN   3   0.532  -1.300  19.961
   22   HE22  GLN   3          HE22      GLN   3   1.115  -0.469  18.601
   23    H    ILE   4           HN       ILE   4  -6.073   0.476  19.758
   24    HA   ILE   4           HA       ILE   4  -6.264  -2.448  19.463
   25    HB   ILE   4           HB       ILE   4  -8.463  -0.645  20.326
   26   HG12  ILE   4          HG12      ILE   4  -7.355  -3.116  21.650
   27   HG13  ILE   4          HG11      ILE   4  -6.834  -1.488  22.068
   28   HG21  ILE   4          HG21      ILE   4  -8.451  -3.488  19.345
   29   HG22  ILE   4          HG22      ILE   4  -9.449  -2.150  18.776
   30   HG23  ILE   4          HG23      ILE   4  -9.754  -2.865  20.358
   31   HD11  ILE   4          HD11      ILE   4  -9.684  -2.492  22.222
   32   HD12  ILE   4          HD12      ILE   4  -9.132  -0.878  22.667
   33   HD13  ILE   4          HD13      ILE   4  -8.602  -2.279  23.598
   34    H    PHE   5           HN       PHE   5  -7.636  -3.127  17.685
   35    HA   PHE   5           HA       PHE   5  -7.462  -1.206  15.450
   36    HB2  PHE   5           HB2      PHE   5  -7.806  -4.197  15.617
   37    HB3  PHE   5           HB1      PHE   5  -8.067  -3.318  14.118
   38    HD1  PHE   5           HD2      PHE   5  -5.561  -3.538  16.909
   39    HD2  PHE   5           HD1      PHE   5  -6.231  -3.038  12.694
   40    HE1  PHE   5           HE2      PHE   5  -3.109  -3.485  16.518
   41    HE2  PHE   5           HE1      PHE   5  -3.787  -2.986  12.310
   42    HZ   PHE   5           HZ       PHE   5  -2.226  -3.218  14.221
   43    H    THR   6           HN       THR   6  -9.191  -0.040  14.992
   44    HA   THR   6           HA       THR   6 -11.824  -0.779  15.941
   45    HB   THR   6           HB       THR   6 -12.473   1.340  14.665
   46    HG1  THR   6           HG1      THR   6  -9.905   2.203  14.646
   47   HG21  THR   6          HG21      THR   6 -10.383   1.356  16.852
   48   HG22  THR   6          HG22      THR   6 -12.135   1.451  17.034
   49   HG23  THR   6          HG23      THR   6 -11.246   2.804  16.333
   50    H    VAL   7           HN       VAL   7 -13.700  -0.756  14.442
   51    HA   VAL   7           HA       VAL   7 -13.442  -2.731  12.455
   52    HB   VAL   7           HB       VAL   7 -15.764  -2.143  11.853
   53   HG11  VAL   7          HG11      VAL   7 -15.332  -2.027  14.852
   54   HG12  VAL   7          HG12      VAL   7 -15.206  -3.506  13.899
   55   HG13  VAL   7          HG13      VAL   7 -16.746  -2.653  14.005
   56   HG21  VAL   7          HG21      VAL   7 -15.211   0.212  13.685
   57   HG22  VAL   7          HG22      VAL   7 -16.833  -0.280  13.193
   58   HG23  VAL   7          HG23      VAL   7 -15.672   0.269  11.984
   59    H    GLN   8           HN       GLN   8 -13.202   0.748  12.333
   60    HA   GLN   8           HA       GLN   8 -13.616   1.204   9.608
   61    HB2  GLN   8           HB2      GLN   8 -13.347   2.972  11.354
   62    HB3  GLN   8           HB1      GLN   8 -11.618   2.625  11.375
   63    HG2  GLN   8           HG2      GLN   8 -11.432   3.205   9.013
   64    HG3  GLN   8           HG1      GLN   8 -13.174   3.450   8.908
   65   HE21  GLN   8          HE21      GLN   8 -13.369   5.700   8.632
   66   HE22  GLN   8          HE22      GLN   8 -12.673   6.850   9.669
   67    H    GLU   9           HN       GLU   9 -10.728   0.146  11.342
   68    HA   GLU   9           HA       GLU   9  -8.960   0.288   9.116
   69    HB2  GLU   9           HB2      GLU   9  -8.845  -1.297  11.691
   70    HB3  GLU   9           HB1      GLU   9  -7.532  -1.237  10.513
   71    HG2  GLU   9           HG2      GLU   9  -7.339   1.170  10.767
   72    HG3  GLU   9           HG1      GLU   9  -8.752   1.208  11.820
   73    H    LEU  10           HN       LEU  10 -10.968  -2.292  10.479
   74    HA   LEU  10           HA       LEU  10 -10.026  -4.355   8.787
   75    HB2  LEU  10           HB2      LEU  10 -12.505  -3.940  10.447
   76    HB3  LEU  10           HB1      LEU  10 -12.401  -5.333   9.379
   77    HG   LEU  10           HG       LEU  10 -11.602  -5.780  11.732
   78   HD11  LEU  10          HD11      LEU  10 -10.646  -6.794   9.388
   79   HD12  LEU  10          HD12      LEU  10 -10.056  -7.295  10.961
   80   HD13  LEU  10          HD13      LEU  10  -9.160  -6.102  10.034
   81   HD21  LEU  10          HD21      LEU  10 -10.534  -3.438  11.876
   82   HD22  LEU  10          HD22      LEU  10  -9.195  -4.116  10.961
   83   HD23  LEU  10          HD23      LEU  10  -9.601  -4.772  12.545
   84    H    LYS  11           HN       LYS  11 -12.702  -2.080   8.482
   85    HA   LYS  11           HA       LYS  11 -13.834  -3.166   6.148
   86    HB2  LYS  11           HB2      LYS  11 -13.788  -0.363   7.251
   87    HB3  LYS  11           HB1      LYS  11 -14.699  -0.801   5.809
   88    HG2  LYS  11           HG2      LYS  11 -15.824  -2.610   7.197
   89    HG3  LYS  11           HG1      LYS  11 -15.053  -1.900   8.609
   90    HD2  LYS  11           HD2      LYS  11 -16.771  -0.283   6.714
   91    HD3  LYS  11           HD1      LYS  11 -17.435  -1.111   8.121
   92    HE2  LYS  11           HE2      LYS  11 -15.693   0.125   9.514
   93    HE3  LYS  11           HE1      LYS  11 -15.373   1.098   8.080
   94    HZ1  LYS  11           HZ1      LYS  11 -17.162   2.298   8.479
   95    HZ2  LYS  11           HZ2      LYS  11 -17.374   1.463   9.943
   96    HZ3  LYS  11           HZ3      LYS  11 -18.149   0.920   8.532
   97    H    GLU  12           HN       GLU  12 -11.314  -0.710   6.583
   98    HA   GLU  12           HA       GLU  12 -10.975  -0.122   3.831
   99    HB2  GLU  12           HB2      GLU  12  -9.116   0.166   6.197
  100    HB3  GLU  12           HB1      GLU  12  -8.739   0.766   4.582
  101    HG2  GLU  12           HG2      GLU  12 -10.734   2.181   4.609
  102    HG3  GLU  12           HG1      GLU  12 -11.194   1.540   6.185
  103    H    ARG  13           HN       ARG  13  -9.389  -2.425   6.009
  104    HA   ARG  13           HA       ARG  13  -7.519  -3.373   4.077
  105    HB2  ARG  13           HB2      ARG  13  -8.553  -4.648   6.622
  106    HB3  ARG  13           HB1      ARG  13  -7.183  -5.239   5.686
  107    HG2  ARG  13           HG2      ARG  13  -7.250  -2.370   6.625
  108    HG3  ARG  13           HG1      ARG  13  -6.731  -3.647   7.723
  109    HD2  ARG  13           HD2      ARG  13  -5.046  -4.367   6.030
  110    HD3  ARG  13           HD1      ARG  13  -5.515  -3.018   5.013
  111    HE   ARG  13           HE       ARG  13  -3.987  -2.877   7.488
  112   HH11  ARG  13          HH21      ARG  13  -5.800  -1.263   5.021
  113   HH12  ARG  13          HH22      ARG  13  -5.096   0.288   5.325
  114   HH21  ARG  13          HH11      ARG  13  -3.060  -0.845   7.893
  115   HH22  ARG  13          HH12      ARG  13  -3.545   0.526   6.952
  116    H    ALA  14           HN       ALA  14 -10.762  -4.309   5.017
  117    HA   ALA  14           HA       ALA  14 -10.818  -6.784   3.616
  118    HB1  ALA  14           HB1      ALA  14 -13.309  -6.520   3.807
  119    HB2  ALA  14           HB2      ALA  14 -13.033  -4.924   4.505
  120    HB3  ALA  14           HB3      ALA  14 -12.451  -6.365   5.341
  121    H    LYS  15           HN       LYS  15 -10.700  -3.603   2.521
  122    HA   LYS  15           HA       LYS  15 -12.396  -3.496   0.330
  123    HB2  LYS  15           HB2      LYS  15 -10.886  -1.650   1.164
  124    HB3  LYS  15           HB1      LYS  15  -9.554  -2.459   0.341
  125    HG2  LYS  15           HG2      LYS  15 -10.675  -2.242  -1.800
  126    HG3  LYS  15           HG1      LYS  15 -12.107  -1.572  -1.020
  127    HD2  LYS  15           HD2      LYS  15 -10.799   0.361  -0.257
  128    HD3  LYS  15           HD1      LYS  15  -9.345  -0.319  -0.989
  129    HE2  LYS  15           HE2      LYS  15 -10.285   1.329  -2.504
  130    HE3  LYS  15           HE1      LYS  15 -10.500  -0.275  -3.200
  131    HZ1  LYS  15           HZ1      LYS  15 -12.709  -0.133  -3.038
  132    HZ2  LYS  15           HZ2      LYS  15 -12.464   1.541  -2.871
  133    HZ3  LYS  15           HZ3      LYS  15 -12.661   0.565  -1.494
  134    H    VAL  16           HN       VAL  16  -9.835  -5.652   0.883
  135    HA   VAL  16           HA       VAL  16  -8.965  -6.096  -1.792
  136    HB   VAL  16           HB       VAL  16  -8.886  -7.878   0.652
  137   HG11  VAL  16          HG11      VAL  16  -7.678  -8.166  -2.106
  138   HG12  VAL  16          HG12      VAL  16  -8.704  -9.319  -1.251
  139   HG13  VAL  16          HG13      VAL  16  -7.054  -9.031  -0.702
  140   HG21  VAL  16          HG21      VAL  16  -6.706  -6.256  -0.688
  141   HG22  VAL  16          HG22      VAL  16  -6.591  -7.134   0.837
  142   HG23  VAL  16          HG23      VAL  16  -7.616  -5.703   0.718
  143    H    PHE  17           HN       PHE  17 -11.433  -7.609   0.258
  144    HA   PHE  17           HA       PHE  17 -12.565  -8.896  -2.173
  145    HB2  PHE  17           HB2      PHE  17 -13.259 -10.774  -0.753
  146    HB3  PHE  17           HB1      PHE  17 -11.505 -10.592  -0.749
  147    HD1  PHE  17           HD1      PHE  17 -10.348  -9.609   1.206
  148    HD2  PHE  17           HD2      PHE  17 -14.575 -10.350   1.228
  149    HE1  PHE  17           HE1      PHE  17 -10.376  -9.360   3.673
  150    HE2  PHE  17           HE2      PHE  17 -14.607 -10.103   3.696
  151    HZ   PHE  17           HZ       PHE  17 -12.506  -9.608   4.918
  152    H    ALA  18           HN       ALA  18 -14.854  -9.225  -2.127
  153    HA   ALA  18           HA       ALA  18 -16.406  -7.064  -1.571
  154    HB1  ALA  18           HB1      ALA  18 -17.326  -9.936  -1.293
  155    HB2  ALA  18           HB2      ALA  18 -17.170  -9.070  -2.821
  156    HB3  ALA  18           HB3      ALA  18 -18.348  -8.537  -1.622
  157    H    LYS  19           HN       LYS  19 -16.930  -5.994   0.213
  158    HA   LYS  19           HA       LYS  19 -16.170  -6.605   2.748
  159    HB2  LYS  19           HB2      LYS  19 -18.595  -5.029   1.879
  160    HB3  LYS  19           HB1      LYS  19 -17.961  -5.025   3.515
  161    HG2  LYS  19           HG2      LYS  19 -15.667  -4.503   1.997
  162    HG3  LYS  19           HG1      LYS  19 -16.926  -3.655   1.106
  163    HD2  LYS  19           HD2      LYS  19 -17.620  -2.529   3.204
  164    HD3  LYS  19           HD1      LYS  19 -16.320  -3.362   4.058
  165    HE2  LYS  19           HE2      LYS  19 -14.643  -2.268   2.708
  166    HE3  LYS  19           HE1      LYS  19 -15.879  -1.568   1.660
  167    HZ1  LYS  19           HZ1      LYS  19 -15.971  -1.034   4.546
  168    HZ2  LYS  19           HZ2      LYS  19 -16.527  -0.081   3.254
  169    HZ3  LYS  19           HZ3      LYS  19 -14.864  -0.180   3.586
  170    HA   PRO  20           HA       PRO  20 -18.778  -9.880   4.143
  171    HB2  PRO  20           HB2      PRO  20 -18.883  -9.317   6.844
  172    HB3  PRO  20           HB1      PRO  20 -17.470 -10.027   6.042
  173    HG2  PRO  20           HG2      PRO  20 -17.978  -7.183   6.811
  174    HG3  PRO  20           HG1      PRO  20 -16.489  -8.139   6.947
  175    HD2  PRO  20           HD2      PRO  20 -16.866  -6.353   4.962
  176    HD3  PRO  20           HD1      PRO  20 -15.928  -7.839   4.719
  177    H    ILE  21           HN       ILE  21 -20.928 -10.319   4.581
  178    HA   ILE  21           HA       ILE  21 -22.770  -8.107   4.364
  179    HB   ILE  21           HB       ILE  21 -23.232 -11.079   4.706
  180   HG12  ILE  21          HG12      ILE  21 -23.583  -9.319   2.261
  181   HG13  ILE  21          HG11      ILE  21 -22.105 -10.237   2.583
  182   HG21  ILE  21          HG21      ILE  21 -25.186  -9.934   5.511
  183   HG22  ILE  21          HG22      ILE  21 -25.546 -10.442   3.862
  184   HG23  ILE  21          HG23      ILE  21 -25.118  -8.764   4.194
  185   HD11  ILE  21          HD11      ILE  21 -24.868 -11.477   2.432
  186   HD12  ILE  21          HD12      ILE  21 -23.330 -12.329   2.556
  187   HD13  ILE  21          HD13      ILE  21 -23.729 -11.439   1.086
  188    H    GLY  22           HN       GLY  22 -24.477  -7.655   5.857
  189    HA2  GLY  22           HA2      GLY  22 -23.605  -7.599   8.584
  190    HA3  GLY  22           HA1      GLY  22 -25.146  -7.014   7.973
  191    H    ALA  23           HN       ALA  23 -23.972 -10.282   7.463
  192    HA   ALA  23           HA       ALA  23 -26.372 -11.410   8.567
  193    HB1  ALA  23           HB1      ALA  23 -25.380 -13.558   7.979
  194    HB2  ALA  23           HB2      ALA  23 -23.814 -12.788   7.719
  195    HB3  ALA  23           HB3      ALA  23 -25.166 -12.421   6.648
  196    H    SER  24           HN       SER  24 -25.270 -13.738   9.777
  197    HA   SER  24           HA       SER  24 -24.909 -12.757  12.455
  198    HB2  SER  24           HB2      SER  24 -24.759 -15.155  13.043
  199    HB3  SER  24           HB1      SER  24 -26.167 -14.811  12.042
  200    HG   SER  24           HG       SER  24 -24.300 -15.295  10.339
  201    H    TYR  25           HN       TYR  25 -22.823 -13.565   9.857
  202    HA   TYR  25           HA       TYR  25 -20.523 -14.264  11.442
  203    HB2  TYR  25           HB2      TYR  25 -20.752 -13.415   8.545
  204    HB3  TYR  25           HB1      TYR  25 -19.296 -14.060   9.304
  205    HD1  TYR  25           HD1      TYR  25 -22.700 -14.839   8.137
  206    HD2  TYR  25           HD2      TYR  25 -19.145 -16.406   9.969
  207    HE1  TYR  25           HE1      TYR  25 -23.514 -17.148   7.740
  208    HE2  TYR  25           HE2      TYR  25 -19.959 -18.715   9.573
  209    HH   TYR  25           HH       TYR  25 -21.583 -19.826   7.883
  210    H    GLN  26           HN       GLN  26 -22.024 -11.337  10.411
  211    HA   GLN  26           HA       GLN  26 -19.780  -9.619  10.413
  212    HB2  GLN  26           HB2      GLN  26 -22.159  -9.147   9.560
  213    HB3  GLN  26           HB1      GLN  26 -22.565  -8.793  11.238
  214    HG2  GLN  26           HG2      GLN  26 -21.966  -6.707  10.196
  215    HG3  GLN  26           HG1      GLN  26 -20.643  -7.155  11.266
  216   HE21  GLN  26          HE21      GLN  26 -18.835  -6.313  10.148
  217   HE22  GLN  26          HE22      GLN  26 -18.436  -6.735   8.553
  218    H    GLY  27           HN       GLY  27 -21.420 -11.214  12.938
  219    HA2  GLY  27           HA2      GLY  27 -21.251  -9.518  15.110
  220    HA3  GLY  27           HA1      GLY  27 -21.048 -11.260  15.214
  221    H    ILE  28           HN       ILE  28 -18.704 -10.870  13.258
  222    HA   ILE  28           HA       ILE  28 -16.654 -10.878  15.213
  223    HB   ILE  28           HB       ILE  28 -16.387 -10.494  12.222
  224   HG12  ILE  28          HG12      ILE  28 -17.713 -12.571  13.158
  225   HG13  ILE  28          HG11      ILE  28 -16.460 -12.827  11.955
  226   HG21  ILE  28          HG21      ILE  28 -14.270 -10.038  13.235
  227   HG22  ILE  28          HG22      ILE  28 -14.171 -11.729  12.754
  228   HG23  ILE  28          HG23      ILE  28 -14.482 -11.305  14.437
  229   HD11  ILE  28          HD11      ILE  28 -14.923 -13.630  13.545
  230   HD12  ILE  28          HD12      ILE  28 -16.449 -14.334  14.070
  231   HD13  ILE  28          HD13      ILE  28 -15.798 -12.928  14.895
  232    H    LEU  29           HN       LEU  29 -17.767  -8.444  12.914
  233    HA   LEU  29           HA       LEU  29 -15.771  -6.532  13.880
  234    HB2  LEU  29           HB2      LEU  29 -17.840  -6.553  11.683
  235    HB3  LEU  29           HB1      LEU  29 -17.124  -5.026  12.201
  236    HG   LEU  29           HG       LEU  29 -14.856  -6.018  11.820
  237   HD11  LEU  29          HD11      LEU  29 -15.278  -8.357  12.018
  238   HD12  LEU  29          HD12      LEU  29 -14.873  -8.091  10.325
  239   HD13  LEU  29          HD13      LEU  29 -16.556  -8.306  10.807
  240   HD21  LEU  29          HD21      LEU  29 -15.794  -4.624  10.091
  241   HD22  LEU  29          HD22      LEU  29 -16.804  -5.946   9.505
  242   HD23  LEU  29          HD23      LEU  29 -15.053  -6.019   9.309
  243    H    ASP  30           HN       ASP  30 -19.271  -7.046  13.989
  244    HA   ASP  30           HA       ASP  30 -20.027  -4.627  15.175
  245    HB2  ASP  30           HB2      ASP  30 -21.542  -6.473  14.287
  246    HB3  ASP  30           HB1      ASP  30 -21.263  -7.307  15.813
  247    H    GLN  31           HN       GLN  31 -19.047  -7.685  16.717
  248    HA   GLN  31           HA       GLN  31 -19.358  -6.832  19.374
  249    HB2  GLN  31           HB2      GLN  31 -19.034  -9.208  18.638
  250    HB3  GLN  31           HB1      GLN  31 -17.339  -8.834  18.334
  251    HG2  GLN  31           HG2      GLN  31 -17.523  -9.815  20.543
  252    HG3  GLN  31           HG1      GLN  31 -17.127  -8.115  20.727
  253   HE21  GLN  31          HE21      GLN  31 -18.176  -7.747  22.752
  254   HE22  GLN  31          HE22      GLN  31 -19.853  -7.902  22.961
  255    H    LEU  32           HN       LEU  32 -16.892  -6.208  17.015
  256    HA   LEU  32           HA       LEU  32 -14.776  -5.549  18.732
  257    HB2  LEU  32           HB2      LEU  32 -14.984  -5.722  16.047
  258    HB3  LEU  32           HB1      LEU  32 -15.174  -3.979  16.189
  259    HG   LEU  32           HG       LEU  32 -12.809  -4.475  15.901
  260   HD11  LEU  32          HD11      LEU  32 -13.658  -2.737  17.661
  261   HD12  LEU  32          HD12      LEU  32 -11.967  -3.213  17.702
  262   HD13  LEU  32          HD13      LEU  32 -13.095  -3.914  18.850
  263   HD21  LEU  32          HD21      LEU  32 -11.761  -6.246  16.885
  264   HD22  LEU  32          HD22      LEU  32 -13.364  -6.842  17.267
  265   HD23  LEU  32          HD23      LEU  32 -12.459  -5.926  18.466
  266    H    ASP  33           HN       ASP  33 -17.434  -3.604  17.450
  267    HA   ASP  33           HA       ASP  33 -16.587  -1.122  18.507
  268    HB2  ASP  33           HB2      ASP  33 -19.215  -2.259  17.577
  269    HB3  ASP  33           HB1      ASP  33 -19.201  -0.700  18.407
  270    H    LEU  34           HN       LEU  34 -18.444  -3.768  19.876
  271    HA   LEU  34           HA       LEU  34 -19.328  -2.427  22.200
  272    HB2  LEU  34           HB2      LEU  34 -18.972  -5.302  21.401
  273    HB3  LEU  34           HB1      LEU  34 -19.287  -4.932  23.100
  274    HG   LEU  34           HG       LEU  34 -21.308  -3.665  22.441
  275   HD11  LEU  34          HD11      LEU  34 -20.672  -2.927  20.228
  276   HD12  LEU  34          HD12      LEU  34 -22.103  -3.947  20.066
  277   HD13  LEU  34          HD13      LEU  34 -20.513  -4.592  19.676
  278   HD21  LEU  34          HD21      LEU  34 -21.048  -6.518  21.471
  279   HD22  LEU  34          HD22      LEU  34 -22.595  -5.674  21.544
  280   HD23  LEU  34          HD23      LEU  34 -21.674  -5.956  23.021
  281    H    VAL  35           HN       VAL  35 -16.350  -4.140  21.440
  282    HA   VAL  35           HA       VAL  35 -15.262  -4.404  23.979
  283    HB   VAL  35           HB       VAL  35 -13.869  -3.766  21.367
  284   HG11  VAL  35          HG11      VAL  35 -12.827  -4.653  24.065
  285   HG12  VAL  35          HG12      VAL  35 -12.324  -3.252  23.116
  286   HG13  VAL  35          HG13      VAL  35 -11.910  -4.879  22.573
  287   HG21  VAL  35          HG21      VAL  35 -13.667  -6.105  21.081
  288   HG22  VAL  35          HG22      VAL  35 -15.320  -5.904  21.661
  289   HG23  VAL  35          HG23      VAL  35 -14.053  -6.429  22.767
  290    H    HIS  36           HN       HIS  36 -15.755  -1.553  22.072
  291    HA   HIS  36           HA       HIS  36 -13.911   0.079  23.617
  292    HB2  HIS  36           HB2      HIS  36 -15.915   0.685  21.437
  293    HB3  HIS  36           HB1      HIS  36 -15.003   1.945  22.269
  294    HD2  HIS  36           HD2      HIS  36 -14.524  -0.444  19.327
  295    HE1  HIS  36           HE1      HIS  36 -10.656   0.857  20.400
  296    HE2  HIS  36           HE2      HIS  36 -12.012  -0.357  18.628
  297    H    GLN  37           HN       GLN  37 -17.447  -0.077  23.167
  298    HA   GLN  37           HA       GLN  37 -17.871   1.712  25.420
  299    HB2  GLN  37           HB2      GLN  37 -19.273   1.538  23.221
  300    HB3  GLN  37           HB1      GLN  37 -20.058   0.178  24.021
  301    HG2  GLN  37           HG2      GLN  37 -21.371   2.094  24.575
  302    HG3  GLN  37           HG1      GLN  37 -20.422   1.739  26.013
  303   HE21  GLN  37          HE21      GLN  37 -20.108   3.706  22.999
  304   HE22  GLN  37          HE22      GLN  37 -19.351   5.016  23.770
  305    H    ALA  38           HN       ALA  38 -17.195  -1.509  25.119
  306    HA   ALA  38           HA       ALA  38 -19.031  -2.674  26.957
  307    HB1  ALA  38           HB1      ALA  38 -17.934  -4.240  25.598
  308    HB2  ALA  38           HB2      ALA  38 -17.092  -4.423  27.134
  309    HB3  ALA  38           HB3      ALA  38 -16.358  -3.482  25.833
  310    H    LYS  39           HN       LYS  39 -18.787  -3.141  29.135
  311    HA   LYS  39           HA       LYS  39 -17.286  -1.236  30.671
  312    HB2  LYS  39           HB2      LYS  39 -18.712  -3.698  31.684
  313    HB3  LYS  39           HB1      LYS  39 -18.298  -2.251  32.597
  314    HG2  LYS  39           HG2      LYS  39 -20.395  -1.492  32.070
  315    HG3  LYS  39           HG1      LYS  39 -19.756  -1.194  30.457
  316    HD2  LYS  39           HD2      LYS  39 -20.445  -3.440  29.742
  317    HD3  LYS  39           HD1      LYS  39 -21.036  -3.790  31.366
  318    HE2  LYS  39           HE2      LYS  39 -22.914  -3.127  29.982
  319    HE3  LYS  39           HE1      LYS  39 -22.602  -1.858  31.165
  320    HZ1  LYS  39           HZ1      LYS  39 -21.661  -1.874  28.348
  321    HZ2  LYS  39           HZ2      LYS  39 -21.341  -0.656  29.490
  322    HZ3  LYS  39           HZ3      LYS  39 -22.932  -0.935  28.963
  323    H    GLY  40           HN       GLY  40 -15.891  -1.963  32.514
  324    HA2  GLY  40           HA2      GLY  40 -13.559  -3.131  31.692
  325    HA3  GLY  40           HA1      GLY  40 -14.092  -3.130  33.370
  326    H    ARG  41           HN       ARG  41 -15.990  -4.830  33.692
  327    HA   ARG  41           HA       ARG  41 -14.815  -7.392  33.353
  328    HB2  ARG  41           HB2      ARG  41 -17.655  -6.623  34.099
  329    HB3  ARG  41           HB1      ARG  41 -16.952  -8.230  34.277
  330    HG2  ARG  41           HG2      ARG  41 -15.307  -7.420  35.850
  331    HG3  ARG  41           HG1      ARG  41 -15.797  -5.748  35.570
  332    HD2  ARG  41           HD2      ARG  41 -18.060  -6.291  36.432
  333    HD3  ARG  41           HD1      ARG  41 -17.514  -7.929  36.784
  334    HE   ARG  41           HE       ARG  41 -15.732  -6.176  38.052
  335   HH11  ARG  41          HH21      ARG  41 -19.077  -7.056  38.133
  336   HH12  ARG  41          HH22      ARG  41 -19.273  -6.702  39.818
  337   HH21  ARG  41          HH11      ARG  41 -15.980  -5.707  40.261
  338   HH22  ARG  41          HH12      ARG  41 -17.518  -5.938  41.022
  339    H    ASP  42           HN       ASP  42 -17.451  -5.710  31.678
  340    HA   ASP  42           HA       ASP  42 -18.217  -7.899  30.043
  341    HB2  ASP  42           HB2      ASP  42 -19.558  -5.805  30.529
  342    HB3  ASP  42           HB1      ASP  42 -18.528  -4.981  29.355
  343    H    GLN  43           HN       GLN  43 -15.621  -5.633  29.890
  344    HA   GLN  43           HA       GLN  43 -15.089  -5.758  27.105
  345    HB2  GLN  43           HB2      GLN  43 -14.168  -4.021  28.648
  346    HB3  GLN  43           HB1      GLN  43 -13.120  -5.255  29.348
  347    HG2  GLN  43           HG2      GLN  43 -12.118  -5.660  27.128
  348    HG3  GLN  43           HG1      GLN  43 -13.161  -4.418  26.435
  349   HE21  GLN  43          HE21      GLN  43 -11.692  -2.743  25.962
  350   HE22  GLN  43          HE22      GLN  43 -10.645  -2.051  27.105
  351    H    ILE  44           HN       ILE  44 -14.101  -7.711  29.860
  352    HA   ILE  44           HA       ILE  44 -12.142  -9.255  28.518
  353    HB   ILE  44           HB       ILE  44 -13.773  -9.654  31.022
  354   HG12  ILE  44          HG12      ILE  44 -11.379  -9.697  31.945
  355   HG13  ILE  44          HG11      ILE  44 -10.848  -9.164  30.357
  356   HG21  ILE  44          HG21      ILE  44 -12.018 -11.648  29.586
  357   HG22  ILE  44          HG22      ILE  44 -13.598 -11.894  30.328
  358   HG23  ILE  44          HG23      ILE  44 -12.172 -11.693  31.343
  359   HD11  ILE  44          HD11      ILE  44 -12.152  -7.149  30.512
  360   HD12  ILE  44          HD12      ILE  44 -11.253  -7.300  32.019
  361   HD13  ILE  44          HD13      ILE  44 -12.961  -7.719  31.970
  362    H    ALA  45           HN       ALA  45 -15.600  -9.753  29.090
  363    HA   ALA  45           HA       ALA  45 -15.844 -12.321  28.040
  364    HB1  ALA  45           HB1      ALA  45 -17.666 -11.152  29.215
  365    HB2  ALA  45           HB2      ALA  45 -18.205 -11.752  27.647
  366    HB3  ALA  45           HB3      ALA  45 -17.831 -10.041  27.855
  367    H    ALA  46           HN       ALA  46 -15.875  -9.182  26.388
  368    HA   ALA  46           HA       ALA  46 -16.528 -10.125  23.809
  369    HB1  ALA  46           HB1      ALA  46 -15.744  -7.995  23.019
  370    HB2  ALA  46           HB2      ALA  46 -14.821  -7.734  24.502
  371    HB3  ALA  46           HB3      ALA  46 -16.583  -7.731  24.548
  372    H    SER  47           HN       SER  47 -13.409  -9.577  25.421
  373    HA   SER  47           HA       SER  47 -11.792 -10.247  23.220
  374    HB2  SER  47           HB2      SER  47  -9.994 -10.548  24.894
  375    HB3  SER  47           HB1      SER  47 -10.899  -9.061  25.156
  376    HG   SER  47           HG       SER  47 -10.507 -11.021  26.853
  377    H    PHE  48           HN       PHE  48 -13.111 -12.182  25.869
  378    HA   PHE  48           HA       PHE  48 -11.800 -14.604  25.196
  379    HB2  PHE  48           HB2      PHE  48 -14.179 -13.849  26.861
  380    HB3  PHE  48           HB1      PHE  48 -13.945 -15.551  26.466
  381    HD1  PHE  48           HD1      PHE  48 -11.618 -12.725  27.314
  382    HD2  PHE  48           HD2      PHE  48 -12.943 -16.701  28.228
  383    HE1  PHE  48           HE1      PHE  48  -9.881 -12.893  29.069
  384    HE2  PHE  48           HE2      PHE  48 -11.211 -16.873  29.987
  385    HZ   PHE  48           HZ       PHE  48  -9.679 -14.970  30.410
  386    H    GLU  49           HN       GLU  49 -14.956 -13.262  24.299
  387    HA   GLU  49           HA       GLU  49 -15.827 -15.525  22.818
  388    HB2  GLU  49           HB2      GLU  49 -17.357 -13.756  23.631
  389    HB3  GLU  49           HB1      GLU  49 -16.624 -12.621  22.498
  390    HG2  GLU  49           HG2      GLU  49 -17.322 -13.993  20.607
  391    HG3  GLU  49           HG1      GLU  49 -17.965 -15.219  21.699
  392    H    LEU  50           HN       LEU  50 -14.244 -12.490  21.865
  393    HA   LEU  50           HA       LEU  50 -14.159 -13.015  19.096
  394    HB2  LEU  50           HB2      LEU  50 -12.434 -11.288  20.874
  395    HB3  LEU  50           HB1      LEU  50 -12.262 -11.335  19.125
  396    HG   LEU  50           HG       LEU  50 -14.906 -10.761  20.488
  397   HD11  LEU  50          HD11      LEU  50 -12.772  -8.827  19.540
  398   HD12  LEU  50          HD12      LEU  50 -13.357  -9.023  21.192
  399   HD13  LEU  50          HD13      LEU  50 -14.422  -8.359  19.952
  400   HD21  LEU  50          HD21      LEU  50 -15.133  -9.560  18.138
  401   HD22  LEU  50          HD22      LEU  50 -15.378 -11.290  18.258
  402   HD23  LEU  50          HD23      LEU  50 -13.847 -10.659  17.660
  403    H    ASN  51           HN       ASN  51 -11.987 -13.846  21.733
  404    HA   ASN  51           HA       ASN  51  -9.769 -14.697  20.274
  405    HB2  ASN  51           HB2      ASN  51  -9.721 -14.526  22.704
  406    HB3  ASN  51           HB1      ASN  51 -10.917 -15.813  22.848
  407   HD21  ASN  51          HD21      ASN  51  -8.726 -16.477  24.202
  408   HD22  ASN  51          HD22      ASN  51  -7.709 -17.528  23.340
  409    H    LYS  52           HN       LYS  52 -12.666 -16.535  21.243
  410    HA   LYS  52           HA       LYS  52 -11.859 -19.002  20.094
  411    HB2  LYS  52           HB2      LYS  52 -14.664 -17.949  20.546
  412    HB3  LYS  52           HB1      LYS  52 -14.206 -19.637  20.317
  413    HG2  LYS  52           HG2      LYS  52 -12.903 -19.634  22.359
  414    HG3  LYS  52           HG1      LYS  52 -13.154 -17.899  22.562
  415    HD2  LYS  52           HD2      LYS  52 -15.698 -18.491  22.553
  416    HD3  LYS  52           HD1      LYS  52 -15.154 -20.141  22.856
  417    HE2  LYS  52           HE2      LYS  52 -13.757 -19.133  24.771
  418    HE3  LYS  52           HE1      LYS  52 -14.747 -17.688  24.552
  419    HZ1  LYS  52           HZ1      LYS  52 -16.645 -19.513  24.629
  420    HZ2  LYS  52           HZ2      LYS  52 -16.041 -18.781  26.039
  421    HZ3  LYS  52           HZ3      LYS  52 -15.492 -20.320  25.575
  422    H    LYS  53           HN       LYS  53 -13.910 -16.357  18.895
  423    HA   LYS  53           HA       LYS  53 -14.537 -17.523  16.387
  424    HB2  LYS  53           HB2      LYS  53 -14.376 -14.633  17.262
  425    HB3  LYS  53           HB1      LYS  53 -14.965 -15.134  15.680
  426    HG2  LYS  53           HG2      LYS  53 -16.712 -16.487  16.736
  427    HG3  LYS  53           HG1      LYS  53 -16.100 -16.053  18.333
  428    HD2  LYS  53           HD2      LYS  53 -16.552 -13.662  17.837
  429    HD3  LYS  53           HD1      LYS  53 -17.218 -14.130  16.275
  430    HE2  LYS  53           HE2      LYS  53 -18.263 -15.245  18.868
  431    HE3  LYS  53           HE1      LYS  53 -18.915 -13.781  18.140
  432    HZ1  LYS  53           HZ1      LYS  53 -18.954 -15.387  16.047
  433    HZ2  LYS  53           HZ2      LYS  53 -20.253 -15.279  17.135
  434    HZ3  LYS  53           HZ3      LYS  53 -19.135 -16.550  17.267
  435    H    ILE  54           HN       ILE  54 -11.904 -15.347  17.364
  436    HA   ILE  54           HA       ILE  54 -10.752 -15.102  14.781
  437    HB   ILE  54           HB       ILE  54  -9.600 -14.740  17.555
  438   HG12  ILE  54          HG12      ILE  54 -10.297 -12.689  15.439
  439   HG13  ILE  54          HG11      ILE  54 -11.435 -13.194  16.686
  440   HG21  ILE  54          HG21      ILE  54  -7.814 -13.426  16.227
  441   HG22  ILE  54          HG22      ILE  54  -8.387 -14.320  14.819
  442   HG23  ILE  54          HG23      ILE  54  -7.707 -15.190  16.191
  443   HD11  ILE  54          HD11      ILE  54  -9.863 -12.488  18.436
  444   HD12  ILE  54          HD12      ILE  54 -10.203 -11.144  17.347
  445   HD13  ILE  54          HD13      ILE  54  -8.684 -12.029  17.207
  446    H    ASN  55           HN       ASN  55 -10.054 -17.237  17.535
  447    HA   ASN  55           HA       ASN  55  -7.867 -18.578  16.357
  448    HB2  ASN  55           HB2      ASN  55  -8.339 -18.683  18.762
  449    HB3  ASN  55           HB1      ASN  55  -9.830 -19.566  18.440
  450   HD21  ASN  55          HD21      ASN  55  -9.152 -21.539  19.488
  451   HD22  ASN  55          HD22      ASN  55  -7.899 -22.502  18.871
  452    H    ASP  56           HN       ASP  56 -11.345 -19.249  16.372
  453    HA   ASP  56           HA       ASP  56 -11.229 -21.748  15.063
  454    HB2  ASP  56           HB2      ASP  56 -13.218 -20.779  16.278
  455    HB3  ASP  56           HB1      ASP  56 -13.478 -19.736  14.880
  456    H    TYR  57           HN       TYR  57 -11.658 -18.449  13.817
  457    HA   TYR  57           HA       TYR  57 -11.993 -19.125  11.109
  458    HB2  TYR  57           HB2      TYR  57 -11.125 -16.678  12.608
  459    HB3  TYR  57           HB1      TYR  57 -10.846 -16.709  10.867
  460    HD1  TYR  57           HD2      TYR  57 -13.619 -18.085  12.997
  461    HD2  TYR  57           HD1      TYR  57 -12.492 -15.419   9.823
  462    HE1  TYR  57           HE2      TYR  57 -16.003 -17.551  12.601
  463    HE2  TYR  57           HE1      TYR  57 -14.876 -14.887   9.425
  464    HH   TYR  57           HH       TYR  57 -17.143 -16.159   9.875
  465    H    ILE  58           HN       ILE  58  -9.049 -18.373  12.955
  466    HA   ILE  58           HA       ILE  58  -7.256 -18.588  10.779
  467    HB   ILE  58           HB       ILE  58  -6.844 -18.994  13.749
  468   HG12  ILE  58          HG12      ILE  58  -6.062 -16.671  11.958
  469   HG13  ILE  58          HG11      ILE  58  -7.586 -16.721  12.859
  470   HG21  ILE  58          HG21      ILE  58  -4.404 -18.515  13.078
  471   HG22  ILE  58          HG22      ILE  58  -4.903 -18.905  11.431
  472   HG23  ILE  58          HG23      ILE  58  -5.029 -20.122  12.701
  473   HD11  ILE  58          HD11      ILE  58  -6.190 -17.123  14.954
  474   HD12  ILE  58          HD12      ILE  58  -6.032 -15.526  14.235
  475   HD13  ILE  58          HD13      ILE  58  -4.772 -16.734  13.980
  476    H    ALA  59           HN       ALA  59  -8.323 -20.949  13.213
  477    HA   ALA  59           HA       ALA  59  -6.719 -23.093  12.304
  478    HB1  ALA  59           HB1      ALA  59  -9.373 -23.183  13.755
  479    HB2  ALA  59           HB2      ALA  59  -7.788 -23.073  14.521
  480    HB3  ALA  59           HB3      ALA  59  -8.230 -24.518  13.610
  481    H    GLU  60           HN       GLU  60  -9.854 -21.868  11.329
  482    HA   GLU  60           HA       GLU  60 -10.632 -24.124   9.773
  483    HB2  GLU  60           HB2      GLU  60 -12.174 -22.316  10.616
  484    HB3  GLU  60           HB1      GLU  60 -11.493 -21.248   9.388
  485    HG2  GLU  60           HG2      GLU  60 -13.485 -22.210   8.446
  486    HG3  GLU  60           HG1      GLU  60 -12.120 -22.997   7.661
  487    H    HIS  61           HN       HIS  61  -8.964 -21.087   9.025
  488    HA   HIS  61           HA       HIS  61  -7.953 -22.303   6.540
  489    HB2  HIS  61           HB2      HIS  61  -9.255 -19.579   6.665
  490    HB3  HIS  61           HB1      HIS  61  -8.454 -20.286   5.262
  491    HD2  HIS  61           HD2      HIS  61 -11.952 -19.837   6.114
  492    HE1  HIS  61           HE1      HIS  61 -11.896 -23.814   4.699
  493    HE2  HIS  61           HE2      HIS  61 -13.393 -21.841   5.262
  494    HA   PRO  62           HA       PRO  62  -4.803 -19.866   8.944
  495    HB2  PRO  62           HB2      PRO  62  -3.068 -21.923   9.454
  496    HB3  PRO  62           HB1      PRO  62  -4.432 -21.525  10.512
  497    HG2  PRO  62           HG2      PRO  62  -4.161 -23.718   8.519
  498    HG3  PRO  62           HG1      PRO  62  -5.013 -23.703  10.071
  499    HD2  PRO  62           HD2      PRO  62  -6.238 -23.429   7.578
  500    HD3  PRO  62           HD1      PRO  62  -6.964 -22.926   9.117
  501    H    THR  63           HN       THR  63  -4.805 -21.985   6.225
  502    HA   THR  63           HA       THR  63  -2.119 -21.287   5.342
  503    HB   THR  63           HB       THR  63  -2.701 -22.659   3.361
  504    HG1  THR  63           HG1      THR  63  -4.755 -22.744   2.977
  505   HG21  THR  63          HG21      THR  63  -1.757 -23.740   5.346
  506   HG22  THR  63          HG22      THR  63  -2.948 -24.799   4.588
  507   HG23  THR  63          HG23      THR  63  -3.370 -23.898   6.044
  508    H    SER  64           HN       SER  64  -5.282 -20.022   5.074
  509    HA   SER  64           HA       SER  64  -5.310 -18.871   2.542
  510    HB2  SER  64           HB2      SER  64  -6.791 -17.129   3.593
  511    HB3  SER  64           HB1      SER  64  -7.276 -18.788   3.920
  512    HG   SER  64           HG       SER  64  -7.193 -17.329   5.777
  513    H    GLY  65           HN       GLY  65  -5.271 -16.392   4.904
  514    HA2  GLY  65           HA2      GLY  65  -2.716 -15.490   5.122
  515    HA3  GLY  65           HA1      GLY  65  -3.177 -14.986   3.499
  516    H    ARG  66           HN       ARG  66  -5.932 -14.493   4.039
  517    HA   ARG  66           HA       ARG  66  -5.803 -11.815   4.963
  518    HB2  ARG  66           HB2      ARG  66  -8.212 -13.622   4.605
  519    HB3  ARG  66           HB1      ARG  66  -8.264 -11.871   4.793
  520    HG2  ARG  66           HG2      ARG  66  -6.796 -13.319   2.567
  521    HG3  ARG  66           HG1      ARG  66  -8.385 -12.571   2.399
  522    HD2  ARG  66           HD2      ARG  66  -7.064 -10.812   1.674
  523    HD3  ARG  66           HD1      ARG  66  -7.076 -10.445   3.392
  524    HE   ARG  66           HE       ARG  66  -4.833 -11.074   3.506
  525   HH11  ARG  66          HH21      ARG  66  -6.270 -11.994   0.499
  526   HH12  ARG  66          HH22      ARG  66  -4.765 -12.418  -0.247
  527   HH21  ARG  66          HH11      ARG  66  -2.858 -11.628   2.538
  528   HH22  ARG  66          HH12      ARG  66  -2.833 -12.211   0.908
  529    H    ASN  67           HN       ASN  67  -6.684 -14.847   6.503
  530    HA   ASN  67           HA       ASN  67  -7.845 -13.801   8.847
  531    HB2  ASN  67           HB2      ASN  67  -6.350 -16.383   8.349
  532    HB3  ASN  67           HB1      ASN  67  -7.202 -16.017   9.848
  533   HD21  ASN  67          HD21      ASN  67  -9.149 -14.436   7.849
  534   HD22  ASN  67          HD22      ASN  67 -10.187 -15.675   7.339
  535    H    GLN  68           HN       GLN  68  -4.514 -14.240   7.874
  536    HA   GLN  68           HA       GLN  68  -3.134 -14.175  10.246
  537    HB2  GLN  68           HB2      GLN  68  -2.474 -12.645   7.718
  538    HB3  GLN  68           HB1      GLN  68  -1.341 -12.993   9.019
  539    HG2  GLN  68           HG2      GLN  68  -2.839 -15.108   7.450
  540    HG3  GLN  68           HG1      GLN  68  -1.176 -14.622   7.128
  541   HE21  GLN  68          HE21      GLN  68  -2.601 -17.174   8.376
  542   HE22  GLN  68          HE22      GLN  68  -1.617 -17.507   9.718
  543    H    ALA  69           HN       ALA  69  -5.171 -11.733   8.940
  544    HA   ALA  69           HA       ALA  69  -4.041  -9.571  10.535
  545    HB1  ALA  69           HB1      ALA  69  -6.621  -9.659   8.950
  546    HB2  ALA  69           HB2      ALA  69  -5.059  -9.158   8.301
  547    HB3  ALA  69           HB3      ALA  69  -5.823  -8.221   9.585
  548    H    LEU  70           HN       LEU  70  -6.661 -11.886  10.714
  549    HA   LEU  70           HA       LEU  70  -8.129 -10.633  12.795
  550    HB2  LEU  70           HB2      LEU  70  -7.942 -13.536  11.953
  551    HB3  LEU  70           HB1      LEU  70  -9.101 -12.917  13.123
  552    HG   LEU  70           HG       LEU  70  -8.844 -11.883  10.287
  553   HD11  LEU  70          HD11      LEU  70  -9.624 -14.276  10.451
  554   HD12  LEU  70          HD12      LEU  70 -10.819 -13.176   9.764
  555   HD13  LEU  70          HD13      LEU  70 -10.971 -13.708  11.437
  556   HD21  LEU  70          HD21      LEU  70  -9.910 -10.160  11.408
  557   HD22  LEU  70          HD22      LEU  70 -10.573 -11.212  12.657
  558   HD23  LEU  70          HD23      LEU  70 -11.314 -11.158  11.062
  559    H    THR  71           HN       THR  71  -5.478 -12.955  12.774
  560    HA   THR  71           HA       THR  71  -5.480 -13.625  15.493
  561    HB   THR  71           HB       THR  71  -4.064 -14.540  13.470
  562    HG1  THR  71           HG1      THR  71  -2.688 -15.444  14.997
  563   HG21  THR  71          HG21      THR  71  -2.912 -12.222  13.327
  564   HG22  THR  71          HG22      THR  71  -1.896 -13.655  13.211
  565   HG23  THR  71          HG23      THR  71  -1.990 -12.759  14.726
  566    H    GLN  72           HN       GLN  72  -4.361 -10.774  13.836
  567    HA   GLN  72           HA       GLN  72  -2.611  -9.743  15.776
  568    HB2  GLN  72           HB2      GLN  72  -4.373  -8.334  13.775
  569    HB3  GLN  72           HB1      GLN  72  -3.139  -7.531  14.734
  570    HG2  GLN  72           HG2      GLN  72  -1.408  -8.962  13.776
  571    HG3  GLN  72           HG1      GLN  72  -2.623  -9.866  12.874
  572   HE21  GLN  72          HE21      GLN  72  -0.300  -8.032  11.972
  573   HE22  GLN  72          HE22      GLN  72  -1.042  -6.950  10.894
  574    H    LEU  73           HN       LEU  73  -6.119  -9.526  15.417
  575    HA   LEU  73           HA       LEU  73  -6.584  -7.639  17.444
  576    HB2  LEU  73           HB2      LEU  73  -8.246  -9.747  16.118
  577    HB3  LEU  73           HB1      LEU  73  -8.897  -8.889  17.506
  578    HG   LEU  73           HG       LEU  73  -7.666  -7.365  15.195
  579   HD11  LEU  73          HD11      LEU  73 -10.499  -8.414  15.422
  580   HD12  LEU  73          HD12      LEU  73  -9.335  -8.757  14.141
  581   HD13  LEU  73          HD13      LEU  73 -10.010  -7.136  14.310
  582   HD21  LEU  73          HD21      LEU  73  -9.494  -5.724  16.044
  583   HD22  LEU  73          HD22      LEU  73  -8.087  -5.963  17.069
  584   HD23  LEU  73          HD23      LEU  73  -9.598  -6.766  17.454
  585    H    LYS  74           HN       LYS  74  -6.336 -11.149  17.511
  586    HA   LYS  74           HA       LYS  74  -7.209 -11.610  20.118
  587    HB2  LYS  74           HB2      LYS  74  -6.734 -13.406  18.491
  588    HB3  LYS  74           HB1      LYS  74  -5.010 -13.055  18.614
  589    HG2  LYS  74           HG2      LYS  74  -5.047 -13.615  21.012
  590    HG3  LYS  74           HG1      LYS  74  -6.782 -13.914  20.921
  591    HD2  LYS  74           HD2      LYS  74  -6.380 -15.728  19.297
  592    HD3  LYS  74           HD1      LYS  74  -4.645 -15.426  19.392
  593    HE2  LYS  74           HE2      LYS  74  -4.651 -15.976  21.779
  594    HE3  LYS  74           HE1      LYS  74  -6.398 -16.215  21.738
  595    HZ1  LYS  74           HZ1      LYS  74  -4.319 -17.811  20.354
  596    HZ2  LYS  74           HZ2      LYS  74  -5.976 -17.943  20.002
  597    HZ3  LYS  74           HZ3      LYS  74  -5.401 -18.333  21.551
  598    H    GLU  75           HN       GLU  75  -3.882 -11.058  18.987
  599    HA   GLU  75           HA       GLU  75  -2.751 -11.040  21.589
  600    HB2  GLU  75           HB2      GLU  75  -0.768 -10.021  20.433
  601    HB3  GLU  75           HB1      GLU  75  -1.328 -11.541  19.732
  602    HG2  GLU  75           HG2      GLU  75  -2.586 -10.293  18.027
  603    HG3  GLU  75           HG1      GLU  75  -2.027  -8.779  18.720
  604    H    GLN  76           HN       GLN  76  -4.000  -8.537  19.466
  605    HA   GLN  76           HA       GLN  76  -3.023  -6.323  20.936
  606    HB2  GLN  76           HB2      GLN  76  -5.253  -6.678  18.959
  607    HB3  GLN  76           HB1      GLN  76  -4.975  -5.127  19.726
  608    HG2  GLN  76           HG2      GLN  76  -2.817  -6.659  18.267
  609    HG3  GLN  76           HG1      GLN  76  -3.819  -5.443  17.494
  610   HE21  GLN  76          HE21      GLN  76  -0.830  -5.762  18.828
  611   HE22  GLN  76          HE22      GLN  76  -0.613  -4.200  19.455
  612    H    VAL  77           HN       VAL  77  -6.347  -7.617  20.776
  613    HA   VAL  77           HA       VAL  77  -7.390  -6.055  22.836
  614    HB   VAL  77           HB       VAL  77  -8.669  -7.493  21.181
  615   HG11  VAL  77          HG11      VAL  77  -8.256  -9.670  23.229
  616   HG12  VAL  77          HG12      VAL  77  -7.259  -9.550  21.785
  617   HG13  VAL  77          HG13      VAL  77  -8.992  -9.806  21.634
  618   HG21  VAL  77          HG21      VAL  77 -10.466  -8.026  22.853
  619   HG22  VAL  77          HG22      VAL  77  -9.820  -6.390  23.016
  620   HG23  VAL  77          HG23      VAL  77  -9.316  -7.654  24.140
  621    H    THR  78           HN       THR  78  -5.893  -9.268  22.957
  622    HA   THR  78           HA       THR  78  -6.333  -9.776  25.687
  623    HB   THR  78           HB       THR  78  -4.339 -11.318  25.436
  624    HG1  THR  78           HG1      THR  78  -3.280 -10.077  23.843
  625   HG21  THR  78          HG21      THR  78  -6.421 -12.324  25.021
  626   HG22  THR  78          HG22      THR  78  -5.519 -12.651  23.542
  627   HG23  THR  78          HG23      THR  78  -6.710 -11.357  23.579
  628    H    SER  79           HN       SER  79  -3.702  -8.121  23.996
  629    HA   SER  79           HA       SER  79  -1.985  -7.786  26.204
  630    HB2  SER  79           HB2      SER  79  -2.343  -6.099  23.720
  631    HB3  SER  79           HB1      SER  79  -1.026  -5.900  24.873
  632    HG   SER  79           HG       SER  79  -0.086  -7.551  23.991
  633    H    ALA  80           HN       ALA  80  -4.654  -5.817  24.975
  634    HA   ALA  80           HA       ALA  80  -4.319  -3.572  26.608
  635    HB1  ALA  80           HB1      ALA  80  -5.917  -3.782  24.678
  636    HB2  ALA  80           HB2      ALA  80  -6.616  -3.051  26.123
  637    HB3  ALA  80           HB3      ALA  80  -6.963  -4.736  25.731
  638    H    LEU  81           HN       LEU  81  -6.203  -6.534  27.178
  639    HA   LEU  81           HA       LEU  81  -7.144  -5.766  29.745
  640    HB2  LEU  81           HB2      LEU  81  -6.774  -8.499  28.514
  641    HB3  LEU  81           HB1      LEU  81  -7.662  -8.187  29.998
  642    HG   LEU  81           HG       LEU  81  -8.312  -6.801  27.385
  643   HD11  LEU  81          HD11      LEU  81 -10.252  -8.509  27.355
  644   HD12  LEU  81          HD12      LEU  81  -9.285  -9.453  28.489
  645   HD13  LEU  81          HD13      LEU  81  -8.664  -9.103  26.875
  646   HD21  LEU  81          HD21      LEU  81  -9.331  -5.642  29.183
  647   HD22  LEU  81          HD22      LEU  81  -9.671  -7.119  30.078
  648   HD23  LEU  81          HD23      LEU  81 -10.600  -6.724  28.639
  649    H    GLY  82           HN       GLY  82  -4.229  -7.354  28.629
  650    HA2  GLY  82           HA2      GLY  82  -2.201  -7.511  29.752
  651    HA3  GLY  82           HA1      GLY  82  -2.974  -6.883  31.203
  652    H    LEU  83           HN       LEU  83  -3.438  -9.758  29.129
  653    HA   LEU  83           HA       LEU  83  -4.186 -11.443  31.277
  654    HB2  LEU  83           HB2      LEU  83  -3.330 -11.866  28.424
  655    HB3  LEU  83           HB1      LEU  83  -3.439 -13.267  29.481
  656    HG   LEU  83           HG       LEU  83  -5.558 -12.773  28.197
  657   HD11  LEU  83          HD11      LEU  83  -6.311 -12.356  31.060
  658   HD12  LEU  83          HD12      LEU  83  -5.275 -13.741  30.744
  659   HD13  LEU  83          HD13      LEU  83  -6.823 -13.598  29.928
  660   HD21  LEU  83          HD21      LEU  83  -5.188 -10.221  28.516
  661   HD22  LEU  83          HD22      LEU  83  -5.912 -10.451  30.103
  662   HD23  LEU  83          HD23      LEU  83  -6.832 -10.831  28.652
  663    H    GLU  84           HN       GLU  84  -1.094 -10.835  29.706
  664    HA   GLU  84           HA       GLU  84   0.220 -12.554  31.745
  665    HB2  GLU  84           HB2      GLU  84   1.223 -11.582  29.053
  666    HB3  GLU  84           HB1      GLU  84   2.140 -12.565  30.193
  667    HG2  GLU  84           HG2      GLU  84   1.239 -14.184  28.753
  668    HG3  GLU  84           HG1      GLU  84   0.096 -14.194  30.091
  669    H    HIS  85           HN       HIS  85  -0.751  -9.747  32.064
  670    HA   HIS  85           HA       HIS  85   1.810  -8.622  33.016
  671    HB2  HIS  85           HB2      HIS  85   1.267  -7.561  30.832
  672    HB3  HIS  85           HB1      HIS  85  -0.273  -7.026  31.504
  673    HD2  HIS  85           HD2      HIS  85   3.526  -6.111  31.741
  674    HE1  HIS  85           HE1      HIS  85   1.387  -3.388  34.157
  675    HE2  HIS  85           HE2      HIS  85   3.662  -3.926  33.163
  676    H    HIS  86           HN       HIS  86  -1.220  -9.640  33.721
  677    HA   HIS  86           HA       HIS  86  -1.648  -7.618  35.853
  678    HB2  HIS  86           HB2      HIS  86  -3.500  -8.045  34.193
  679    HB3  HIS  86           HB1      HIS  86  -3.616  -9.680  34.845
  680    HD2  HIS  86           HD2      HIS  86  -4.517  -6.014  35.887
  681    HE1  HIS  86           HE1      HIS  86  -5.800  -8.588  38.977
  682    HE2  HIS  86           HE2      HIS  86  -5.863  -6.199  38.116
  683    H    HIS  87           HN       HIS  87   0.215  -8.830  36.900
  684    HA   HIS  87           HA       HIS  87   0.956 -10.218  38.573
  685    HB2  HIS  87           HB2      HIS  87  -1.093  -9.265  39.678
  686    HB3  HIS  87           HB1      HIS  87  -1.981 -10.685  39.128
  687    HD2  HIS  87           HD2      HIS  87  -1.937 -12.665  41.034
  688    HE1  HIS  87           HE1      HIS  87   1.724 -11.660  42.882
  689    HE2  HIS  87           HE2      HIS  87  -0.249 -13.258  42.937
  690    H    HIS  88           HN       HIS  88  -2.060 -11.928  37.811
  691    HA   HIS  88           HA       HIS  88  -0.573 -14.078  36.485
  692    HB2  HIS  88           HB2      HIS  88  -1.343 -15.800  37.957
  693    HB3  HIS  88           HB1      HIS  88  -0.602 -14.561  38.969
  694    HD2  HIS  88           HD2      HIS  88  -3.487 -12.618  38.679
  695    HE1  HIS  88           HE1      HIS  88  -5.045 -15.762  41.024
  696    HE2  HIS  88           HE2      HIS  88  -5.435 -13.378  40.241
  697    H    HIS  89           HN       HIS  89  -2.059 -15.722  35.571
  698    HA   HIS  89           HA       HIS  89  -4.848 -14.912  35.254
  699    HB2  HIS  89           HB2      HIS  89  -4.706 -14.882  32.795
  700    HB3  HIS  89           HB1      HIS  89  -3.714 -13.612  33.511
  701    HD2  HIS  89           HD2      HIS  89  -3.292 -16.595  31.133
  702    HE1  HIS  89           HE1      HIS  89   0.600 -15.472  32.326
  703    HE2  HIS  89           HE2      HIS  89  -0.735 -16.898  30.701
  704    H    HIS  90           HN       HIS  90  -6.082 -16.529  33.998
  705    HA   HIS  90           HA       HIS  90  -4.838 -19.145  33.643
  706    HB2  HIS  90           HB2      HIS  90  -6.334 -20.301  35.163
  707    HB3  HIS  90           HB1      HIS  90  -5.451 -19.065  36.059
  708    HD2  HIS  90           HD2      HIS  90  -9.108 -19.977  35.179
  709    HE1  HIS  90           HE1      HIS  90  -9.198 -16.181  37.026
  710    HE2  HIS  90           HE2      HIS  90 -10.625 -18.115  36.206
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  -8.863   4.174  18.785
    2    H2   MET   1           HT2      MET   1 -10.368   4.891  19.116
    3    H3   MET   1           HT3      MET   1  -9.547   4.031  20.330
    4    HA   MET   1           HA       MET   1  -9.308   6.763  19.580
    5    HB2  MET   1           HB2      MET   1  -8.250   5.015  21.816
    6    HB3  MET   1           HB1      MET   1  -8.009   6.761  21.758
    7    HG2  MET   1           HG2      MET   1 -10.428   7.126  21.734
    8    HG3  MET   1           HG1      MET   1 -10.710   5.386  21.694
    9    HE1  MET   1           HE1      MET   1  -9.156   8.299  23.303
   10    HE2  MET   1           HE2      MET   1  -7.893   7.316  24.038
   11    HE3  MET   1           HE3      MET   1  -9.152   8.019  25.050
   12    H    GLY   2           HN       GLY   2  -7.129   3.979  19.611
   13    HA2  GLY   2           HA2      GLY   2  -5.382   4.986  17.669
   14    HA3  GLY   2           HA1      GLY   2  -4.703   5.381  19.245
   15    H    GLN   3           HN       GLN   3  -4.874   3.397  20.831
   16    HA   GLN   3           HA       GLN   3  -3.173   1.381  19.807
   17    HB2  GLN   3           HB2      GLN   3  -4.810   1.523  22.346
   18    HB3  GLN   3           HB1      GLN   3  -3.657   0.235  21.995
   19    HG2  GLN   3           HG2      GLN   3  -1.847   1.876  21.787
   20    HG3  GLN   3           HG1      GLN   3  -2.988   3.191  22.074
   21   HE21  GLN   3          HE21      GLN   3  -0.731   1.267  23.637
   22   HE22  GLN   3          HE22      GLN   3  -1.318   1.408  25.224
   23    H    ILE   4           HN       ILE   4  -6.659   1.538  20.331
   24    HA   ILE   4           HA       ILE   4  -7.022  -1.223  19.460
   25    HB   ILE   4           HB       ILE   4  -8.991   0.831  20.351
   26   HG12  ILE   4          HG12      ILE   4  -8.008  -1.650  21.761
   27   HG13  ILE   4          HG11      ILE   4  -7.355  -0.040  22.064
   28   HG21  ILE   4          HG21      ILE   4 -10.113  -0.714  18.886
   29   HG22  ILE   4          HG22      ILE   4 -10.505  -1.189  20.538
   30   HG23  ILE   4          HG23      ILE   4  -9.287  -2.082  19.628
   31   HD11  ILE   4          HD11      ILE   4  -9.110  -0.635  23.710
   32   HD12  ILE   4          HD12      ILE   4 -10.264  -0.833  22.391
   33   HD13  ILE   4          HD13      ILE   4  -9.580   0.756  22.733
   34    H    PHE   5           HN       PHE   5  -7.585  -1.805  17.448
   35    HA   PHE   5           HA       PHE   5  -7.637   0.135  15.352
   36    HB2  PHE   5           HB2      PHE   5  -8.248  -2.825  15.438
   37    HB3  PHE   5           HB1      PHE   5  -8.316  -1.876  13.954
   38    HD1  PHE   5           HD2      PHE   5  -6.251  -0.677  13.149
   39    HD2  PHE   5           HD1      PHE   5  -6.164  -3.497  16.388
   40    HE1  PHE   5           HE2      PHE   5  -3.791  -0.875  12.910
   41    HE2  PHE   5           HE1      PHE   5  -3.704  -3.695  16.149
   42    HZ   PHE   5           HZ       PHE   5  -2.517  -2.384  14.410
   43    H    THR   6           HN       THR   6  -9.316   1.116  14.370
   44    HA   THR   6           HA       THR   6 -11.934   0.910  15.589
   45    HB   THR   6           HB       THR   6 -12.472   2.631  13.726
   46    HG1  THR   6           HG1      THR   6 -10.044   3.496  13.408
   47   HG21  THR   6          HG21      THR   6 -10.416   3.112  15.893
   48   HG22  THR   6          HG22      THR   6 -12.162   3.358  15.988
   49   HG23  THR   6          HG23      THR   6 -11.177   4.411  14.972
   50    H    VAL   7           HN       VAL   7 -13.884   0.539  14.375
   51    HA   VAL   7           HA       VAL   7 -13.808  -1.835  12.848
   52    HB   VAL   7           HB       VAL   7 -15.782  -1.274  14.127
   53   HG11  VAL   7          HG11      VAL   7 -15.456   1.245  13.803
   54   HG12  VAL   7          HG12      VAL   7 -17.120   0.670  13.719
   55   HG13  VAL   7          HG13      VAL   7 -16.245   1.047  12.238
   56   HG21  VAL   7          HG21      VAL   7 -15.951  -2.479  11.845
   57   HG22  VAL   7          HG22      VAL   7 -16.575  -0.950  11.229
   58   HG23  VAL   7          HG23      VAL   7 -17.441  -1.803  12.504
   59    H    GLN   8           HN       GLN   8 -14.283   1.564  11.917
   60    HA   GLN   8           HA       GLN   8 -14.758   1.152   9.191
   61    HB2  GLN   8           HB2      GLN   8 -14.899   3.325  10.613
   62    HB3  GLN   8           HB1      GLN   8 -13.194   3.521  10.210
   63    HG2  GLN   8           HG2      GLN   8 -15.418   3.145   8.178
   64    HG3  GLN   8           HG1      GLN   8 -14.699   4.696   8.605
   65   HE21  GLN   8          HE21      GLN   8 -14.579   2.564   6.165
   66   HE22  GLN   8          HE22      GLN   8 -12.941   2.666   5.733
   67    H    GLU   9           HN       GLU   9 -11.692   1.684  10.910
   68    HA   GLU   9           HA       GLU   9 -10.059   1.565   8.585
   69    HB2  GLU   9           HB2      GLU   9  -9.447   1.157  11.516
   70    HB3  GLU   9           HB1      GLU   9  -8.213   1.170  10.255
   71    HG2  GLU   9           HG2      GLU   9  -8.860   3.434   9.600
   72    HG3  GLU   9           HG1      GLU   9 -10.169   3.425  10.779
   73    H    LEU  10           HN       LEU  10 -11.231  -0.839  10.871
   74    HA   LEU  10           HA       LEU  10  -9.569  -2.967  10.047
   75    HB2  LEU  10           HB2      LEU  10 -10.809  -3.089  12.139
   76    HB3  LEU  10           HB1      LEU  10 -12.339  -3.015  11.267
   77    HG   LEU  10           HG       LEU  10 -11.872  -5.163  10.186
   78   HD11  LEU  10          HD11      LEU  10  -9.555  -5.285   9.861
   79   HD12  LEU  10          HD12      LEU  10  -9.796  -6.431  11.177
   80   HD13  LEU  10          HD13      LEU  10  -9.192  -4.809  11.519
   81   HD21  LEU  10          HD21      LEU  10 -12.812  -4.984  12.581
   82   HD22  LEU  10          HD22      LEU  10 -11.223  -5.509  13.110
   83   HD23  LEU  10          HD23      LEU  10 -12.194  -6.555  12.078
   84    H    LYS  11           HN       LYS  11 -12.697  -1.802   8.899
   85    HA   LYS  11           HA       LYS  11 -13.351  -3.924   7.202
   86    HB2  LYS  11           HB2      LYS  11 -13.977  -0.977   7.097
   87    HB3  LYS  11           HB1      LYS  11 -14.578  -2.092   5.871
   88    HG2  LYS  11           HG2      LYS  11 -15.630  -3.461   7.648
   89    HG3  LYS  11           HG1      LYS  11 -15.058  -2.312   8.856
   90    HD2  LYS  11           HD2      LYS  11 -16.379  -0.531   7.881
   91    HD3  LYS  11           HD1      LYS  11 -16.850  -1.566   6.531
   92    HE2  LYS  11           HE2      LYS  11 -17.997  -3.089   8.099
   93    HE3  LYS  11           HE1      LYS  11 -17.537  -2.051   9.443
   94    HZ1  LYS  11           HZ1      LYS  11 -19.840  -1.764   8.354
   95    HZ2  LYS  11           HZ2      LYS  11 -18.987  -0.921   7.149
   96    HZ3  LYS  11           HZ3      LYS  11 -18.941  -0.384   8.760
   97    H    GLU  12           HN       GLU  12 -11.188  -1.182   6.706
   98    HA   GLU  12           HA       GLU  12 -10.830  -1.400   3.937
   99    HB2  GLU  12           HB2      GLU  12  -9.979   0.442   5.429
  100    HB3  GLU  12           HB1      GLU  12  -8.705  -0.656   5.955
  101    HG2  GLU  12           HG2      GLU  12  -7.777   0.665   4.184
  102    HG3  GLU  12           HG1      GLU  12  -8.081  -0.932   3.508
  103    H    ARG  13           HN       ARG  13  -8.773  -2.768   6.529
  104    HA   ARG  13           HA       ARG  13  -7.247  -4.367   4.720
  105    HB2  ARG  13           HB2      ARG  13  -7.553  -4.423   7.726
  106    HB3  ARG  13           HB1      ARG  13  -6.449  -5.477   6.841
  107    HG2  ARG  13           HG2      ARG  13  -5.312  -3.515   5.889
  108    HG3  ARG  13           HG1      ARG  13  -6.428  -2.446   6.738
  109    HD2  ARG  13           HD2      ARG  13  -4.645  -4.458   8.129
  110    HD3  ARG  13           HD1      ARG  13  -4.215  -2.765   7.904
  111    HE   ARG  13           HE       ARG  13  -6.734  -2.804   9.102
  112   HH11  ARG  13          HH21      ARG  13  -3.503  -3.850   9.762
  113   HH12  ARG  13          HH22      ARG  13  -3.647  -3.669  11.479
  114   HH21  ARG  13          HH11      ARG  13  -6.931  -2.562  11.353
  115   HH22  ARG  13          HH12      ARG  13  -5.588  -2.940  12.379
  116    H    ALA  14           HN       ALA  14 -10.031  -4.953   6.794
  117    HA   ALA  14           HA       ALA  14 -10.118  -7.779   6.330
  118    HB1  ALA  14           HB1      ALA  14 -12.501  -6.145   7.172
  119    HB2  ALA  14           HB2      ALA  14 -11.156  -6.403   8.282
  120    HB3  ALA  14           HB3      ALA  14 -12.052  -7.782   7.648
  121    H    LYS  15           HN       LYS  15 -10.819  -5.136   4.382
  122    HA   LYS  15           HA       LYS  15 -13.176  -5.818   3.062
  123    HB2  LYS  15           HB2      LYS  15 -11.896  -3.715   2.679
  124    HB3  LYS  15           HB1      LYS  15 -10.687  -4.641   1.795
  125    HG2  LYS  15           HG2      LYS  15 -12.366  -5.328   0.162
  126    HG3  LYS  15           HG1      LYS  15 -13.626  -4.495   1.076
  127    HD2  LYS  15           HD2      LYS  15 -12.431  -2.355   0.750
  128    HD3  LYS  15           HD1      LYS  15 -11.205  -3.195  -0.201
  129    HE2  LYS  15           HE2      LYS  15 -14.150  -3.207  -0.870
  130    HE3  LYS  15           HE1      LYS  15 -12.991  -2.086  -1.581
  131    HZ1  LYS  15           HZ1      LYS  15 -11.757  -4.423  -1.956
  132    HZ2  LYS  15           HZ2      LYS  15 -12.782  -3.703  -3.105
  133    HZ3  LYS  15           HZ3      LYS  15 -13.376  -4.915  -2.075
  134    H    VAL  16           HN       VAL  16  -9.842  -6.848   2.326
  135    HA   VAL  16           HA       VAL  16  -9.041  -8.443   0.859
  136    HB   VAL  16           HB       VAL  16  -9.783  -9.721   2.869
  137   HG11  VAL  16          HG11      VAL  16 -12.333 -10.030   1.266
  138   HG12  VAL  16          HG12      VAL  16 -12.139  -9.483   2.925
  139   HG13  VAL  16          HG13      VAL  16 -11.869 -11.169   2.523
  140   HG21  VAL  16          HG21      VAL  16  -9.304 -11.784   1.922
  141   HG22  VAL  16          HG22      VAL  16  -8.774 -10.730   0.619
  142   HG23  VAL  16          HG23      VAL  16 -10.347 -11.520   0.528
  143    H    PHE  17           HN       PHE  17  -9.938 -10.341  -0.706
  144    HA   PHE  17           HA       PHE  17 -11.391  -8.931  -2.763
  145    HB2  PHE  17           HB2      PHE  17 -10.424 -11.798  -2.658
  146    HB3  PHE  17           HB1      PHE  17 -11.005 -10.953  -4.093
  147    HD1  PHE  17           HD2      PHE  17  -9.747  -8.998  -4.991
  148    HD2  PHE  17           HD1      PHE  17  -8.211 -11.433  -1.806
  149    HE1  PHE  17           HE2      PHE  17  -7.482  -8.066  -5.373
  150    HE2  PHE  17           HE1      PHE  17  -5.943 -10.502  -2.187
  151    HZ   PHE  17           HZ       PHE  17  -5.579  -8.818  -3.971
  152    H    ALA  18           HN       ALA  18 -13.457  -9.371  -3.486
  153    HA   ALA  18           HA       ALA  18 -15.650 -10.039  -3.378
  154    HB1  ALA  18           HB1      ALA  18 -14.676 -12.523  -1.970
  155    HB2  ALA  18           HB2      ALA  18 -14.492 -12.289  -3.708
  156    HB3  ALA  18           HB3      ALA  18 -16.103 -12.334  -2.991
  157    H    LYS  19           HN       LYS  19 -17.334  -9.631  -2.032
  158    HA   LYS  19           HA       LYS  19 -16.697  -8.876   0.677
  159    HB2  LYS  19           HB2      LYS  19 -19.460  -8.909  -0.518
  160    HB3  LYS  19           HB1      LYS  19 -18.821  -7.852   0.741
  161    HG2  LYS  19           HG2      LYS  19 -18.014  -7.859  -2.182
  162    HG3  LYS  19           HG1      LYS  19 -18.939  -6.608  -1.348
  163    HD2  LYS  19           HD2      LYS  19 -16.928  -6.403   0.238
  164    HD3  LYS  19           HD1      LYS  19 -16.037  -7.355  -0.952
  165    HE2  LYS  19           HE2      LYS  19 -15.717  -4.948  -1.349
  166    HE3  LYS  19           HE1      LYS  19 -16.585  -5.695  -2.691
  167    HZ1  LYS  19           HZ1      LYS  19 -18.356  -4.442  -2.300
  168    HZ2  LYS  19           HZ2      LYS  19 -17.400  -3.529  -1.232
  169    HZ3  LYS  19           HZ3      LYS  19 -18.355  -4.805  -0.643
  170    HA   PRO  20           HA       PRO  20 -17.975 -12.680   2.566
  171    HB2  PRO  20           HB2      PRO  20 -18.707 -11.791   5.054
  172    HB3  PRO  20           HB1      PRO  20 -17.017 -11.924   4.530
  173    HG2  PRO  20           HG2      PRO  20 -18.783  -9.513   4.625
  174    HG3  PRO  20           HG1      PRO  20 -17.079  -9.682   5.098
  175    HD2  PRO  20           HD2      PRO  20 -17.814  -8.590   2.713
  176    HD3  PRO  20           HD1      PRO  20 -16.312  -9.524   2.900
  177    H    ILE  21           HN       ILE  21 -19.796 -13.883   2.825
  178    HA   ILE  21           HA       ILE  21 -22.349 -12.608   2.207
  179    HB   ILE  21           HB       ILE  21 -23.152 -14.789   1.690
  180   HG12  ILE  21          HG12      ILE  21 -22.280 -16.045   3.618
  181   HG13  ILE  21          HG11      ILE  21 -21.828 -16.844   2.119
  182   HG21  ILE  21          HG21      ILE  21 -20.267 -14.516   0.815
  183   HG22  ILE  21          HG22      ILE  21 -21.684 -13.869  -0.010
  184   HG23  ILE  21          HG23      ILE  21 -21.438 -15.613   0.084
  185   HD11  ILE  21          HD11      ILE  21 -19.600 -15.550   2.301
  186   HD12  ILE  21          HD12      ILE  21 -19.857 -16.878   3.419
  187   HD13  ILE  21          HD13      ILE  21 -20.073 -15.221   3.963
  188    H    GLY  22           HN       GLY  22 -24.157 -12.696   3.527
  189    HA2  GLY  22           HA2      GLY  22 -25.409 -13.139   5.444
  190    HA3  GLY  22           HA1      GLY  22 -24.078 -14.113   6.058
  191    H    ALA  23           HN       ALA  23 -25.754 -11.929   7.264
  192    HA   ALA  23           HA       ALA  23 -23.953  -9.720   7.706
  193    HB1  ALA  23           HB1      ALA  23 -26.585 -10.518   8.954
  194    HB2  ALA  23           HB2      ALA  23 -26.291  -9.233   7.781
  195    HB3  ALA  23           HB3      ALA  23 -25.686  -9.077   9.431
  196    H    SER  24           HN       SER  24 -23.629 -12.764   8.625
  197    HA   SER  24           HA       SER  24 -23.221 -12.521  11.461
  198    HB2  SER  24           HB2      SER  24 -22.321 -14.775  11.314
  199    HB3  SER  24           HB1      SER  24 -23.795 -14.670  10.356
  200    HG   SER  24           HG       SER  24 -22.636 -15.209   8.700
  201    H    TYR  25           HN       TYR  25 -21.429 -11.654   8.707
  202    HA   TYR  25           HA       TYR  25 -18.787 -12.041   9.701
  203    HB2  TYR  25           HB2      TYR  25 -19.350 -11.709   7.296
  204    HB3  TYR  25           HB1      TYR  25 -19.740 -10.027   7.654
  205    HD1  TYR  25           HD1      TYR  25 -17.018 -12.557   7.696
  206    HD2  TYR  25           HD2      TYR  25 -18.021  -8.389   7.965
  207    HE1  TYR  25           HE1      TYR  25 -14.616 -11.969   7.526
  208    HE2  TYR  25           HE2      TYR  25 -15.617  -7.801   7.794
  209    HH   TYR  25           HH       TYR  25 -13.305  -9.830   6.702
  210    H    GLN  26           HN       GLN  26 -21.147  -9.444   9.943
  211    HA   GLN  26           HA       GLN  26 -19.444  -7.427  10.940
  212    HB2  GLN  26           HB2      GLN  26 -22.402  -7.937  11.263
  213    HB3  GLN  26           HB1      GLN  26 -21.604  -6.522  11.954
  214    HG2  GLN  26           HG2      GLN  26 -20.829  -5.832   9.757
  215    HG3  GLN  26           HG1      GLN  26 -21.503  -7.288   9.027
  216   HE21  GLN  26          HE21      GLN  26 -22.596  -5.247   7.796
  217   HE22  GLN  26          HE22      GLN  26 -24.110  -4.796   8.416
  218    H    GLY  27           HN       GLY  27 -20.573 -10.329  12.357
  219    HA2  GLY  27           HA2      GLY  27 -20.821  -9.750  15.049
  220    HA3  GLY  27           HA1      GLY  27 -20.158 -11.259  14.428
  221    H    ILE  28           HN       ILE  28 -17.872 -10.176  13.134
  222    HA   ILE  28           HA       ILE  28 -16.086 -10.005  15.360
  223    HB   ILE  28           HB       ILE  28 -15.626  -9.609  12.398
  224   HG12  ILE  28          HG12      ILE  28 -14.894 -11.909  14.233
  225   HG13  ILE  28          HG11      ILE  28 -16.357 -11.879  13.246
  226   HG21  ILE  28          HG21      ILE  28 -13.719  -9.697  14.751
  227   HG22  ILE  28          HG22      ILE  28 -13.863  -8.436  13.528
  228   HG23  ILE  28          HG23      ILE  28 -13.198 -10.009  13.096
  229   HD11  ILE  28          HD11      ILE  28 -15.017 -11.671  11.211
  230   HD12  ILE  28          HD12      ILE  28 -14.494 -13.087  12.125
  231   HD13  ILE  28          HD13      ILE  28 -13.538 -11.605  12.170
  232    H    LEU  29           HN       LEU  29 -17.760  -7.688  13.401
  233    HA   LEU  29           HA       LEU  29 -16.040  -5.469  14.257
  234    HB2  LEU  29           HB2      LEU  29 -18.564  -5.373  12.593
  235    HB3  LEU  29           HB1      LEU  29 -17.337  -4.120  12.749
  236    HG   LEU  29           HG       LEU  29 -16.922  -6.858  11.545
  237   HD11  LEU  29          HD11      LEU  29 -16.744  -5.728   9.427
  238   HD12  LEU  29          HD12      LEU  29 -16.839  -4.151  10.208
  239   HD13  LEU  29          HD13      LEU  29 -18.249  -5.209  10.185
  240   HD21  LEU  29          HD21      LEU  29 -14.706  -5.663  10.827
  241   HD22  LEU  29          HD22      LEU  29 -14.832  -6.319  12.456
  242   HD23  LEU  29          HD23      LEU  29 -15.053  -4.592  12.184
  243    H    ASP  30           HN       ASP  30 -19.155  -6.897  14.933
  244    HA   ASP  30           HA       ASP  30 -20.340  -4.734  16.299
  245    HB2  ASP  30           HB2      ASP  30 -20.691  -7.721  16.546
  246    HB3  ASP  30           HB1      ASP  30 -21.656  -6.566  17.464
  247    H    GLN  31           HN       GLN  31 -18.080  -7.232  17.347
  248    HA   GLN  31           HA       GLN  31 -18.264  -6.793  20.124
  249    HB2  GLN  31           HB2      GLN  31 -17.130  -8.736  18.901
  250    HB3  GLN  31           HB1      GLN  31 -15.754  -7.655  18.687
  251    HG2  GLN  31           HG2      GLN  31 -15.350  -8.917  20.685
  252    HG3  GLN  31           HG1      GLN  31 -15.784  -7.286  21.191
  253   HE21  GLN  31          HE21      GLN  31 -17.315  -7.250  22.829
  254   HE22  GLN  31          HE22      GLN  31 -18.481  -8.451  23.102
  255    H    LEU  32           HN       LEU  32 -16.448  -5.165  17.595
  256    HA   LEU  32           HA       LEU  32 -14.626  -3.763  19.237
  257    HB2  LEU  32           HB2      LEU  32 -15.738  -3.316  16.483
  258    HB3  LEU  32           HB1      LEU  32 -14.735  -2.079  17.223
  259    HG   LEU  32           HG       LEU  32 -13.465  -3.727  15.797
  260   HD11  LEU  32          HD11      LEU  32 -12.426  -4.208  18.555
  261   HD12  LEU  32          HD12      LEU  32 -12.638  -2.525  18.081
  262   HD13  LEU  32          HD13      LEU  32 -11.605  -3.582  17.128
  263   HD21  LEU  32          HD21      LEU  32 -14.985  -5.646  16.596
  264   HD22  LEU  32          HD22      LEU  32 -13.962  -5.704  18.029
  265   HD23  LEU  32          HD23      LEU  32 -13.267  -6.001  16.436
  266    H    ASP  33           HN       ASP  33 -17.937  -3.057  18.207
  267    HA   ASP  33           HA       ASP  33 -18.036  -0.426  19.227
  268    HB2  ASP  33           HB2      ASP  33 -19.718  -1.308  17.684
  269    HB3  ASP  33           HB1      ASP  33 -20.254  -2.458  18.908
  270    H    LEU  34           HN       LEU  34 -18.806  -3.582  20.667
  271    HA   LEU  34           HA       LEU  34 -19.671  -2.532  23.176
  272    HB2  LEU  34           HB2      LEU  34 -18.964  -5.245  22.105
  273    HB3  LEU  34           HB1      LEU  34 -19.075  -5.041  23.855
  274    HG   LEU  34           HG       LEU  34 -21.352  -4.113  23.600
  275   HD11  LEU  34          HD11      LEU  34 -20.796  -4.654  20.677
  276   HD12  LEU  34          HD12      LEU  34 -21.237  -3.118  21.420
  277   HD13  LEU  34          HD13      LEU  34 -22.422  -4.420  21.314
  278   HD21  LEU  34          HD21      LEU  34 -20.893  -6.596  23.849
  279   HD22  LEU  34          HD22      LEU  34 -21.092  -6.733  22.103
  280   HD23  LEU  34          HD23      LEU  34 -22.442  -6.202  23.105
  281    H    VAL  35           HN       VAL  35 -16.606  -4.042  22.144
  282    HA   VAL  35           HA       VAL  35 -15.311  -3.880  24.622
  283    HB   VAL  35           HB       VAL  35 -14.619  -5.066  22.371
  284   HG11  VAL  35          HG11      VAL  35 -12.822  -2.652  22.177
  285   HG12  VAL  35          HG12      VAL  35 -14.332  -2.732  21.294
  286   HG13  VAL  35          HG13      VAL  35 -13.083  -3.931  20.995
  287   HG21  VAL  35          HG21      VAL  35 -12.279  -5.183  23.199
  288   HG22  VAL  35          HG22      VAL  35 -13.443  -5.346  24.514
  289   HG23  VAL  35          HG23      VAL  35 -12.602  -3.817  24.265
  290    H    HIS  36           HN       HIS  36 -15.957  -1.477  22.220
  291    HA   HIS  36           HA       HIS  36 -14.002   0.418  23.190
  292    HB2  HIS  36           HB2      HIS  36 -14.758   0.360  20.822
  293    HB3  HIS  36           HB1      HIS  36 -16.366   0.859  21.352
  294    HD2  HIS  36           HD2      HIS  36 -12.870   2.432  20.694
  295    HE1  HIS  36           HE1      HIS  36 -15.345   5.477  22.250
  296    HE2  HIS  36           HE2      HIS  36 -13.100   4.989  21.169
  297    H    GLN  37           HN       GLN  37 -17.535   0.057  23.385
  298    HA   GLN  37           HA       GLN  37 -17.766   2.351  25.164
  299    HB2  GLN  37           HB2      GLN  37 -19.793   0.360  24.124
  300    HB3  GLN  37           HB1      GLN  37 -20.189   1.722  25.173
  301    HG2  GLN  37           HG2      GLN  37 -19.306   3.292  23.511
  302    HG3  GLN  37           HG1      GLN  37 -18.836   1.949  22.469
  303   HE21  GLN  37          HE21      GLN  37 -21.250   4.214  22.871
  304   HE22  GLN  37          HE22      GLN  37 -22.531   3.379  22.133
  305    H    ALA  38           HN       ALA  38 -17.172  -0.988  25.441
  306    HA   ALA  38           HA       ALA  38 -18.422  -1.416  27.997
  307    HB1  ALA  38           HB1      ALA  38 -18.057  -3.348  26.638
  308    HB2  ALA  38           HB2      ALA  38 -16.958  -3.480  28.011
  309    HB3  ALA  38           HB3      ALA  38 -16.348  -2.960  26.448
  310    H    LYS  39           HN       LYS  39 -17.191  -1.970  29.954
  311    HA   LYS  39           HA       LYS  39 -14.487  -1.047  30.203
  312    HB2  LYS  39           HB2      LYS  39 -16.482   0.913  30.459
  313    HB3  LYS  39           HB1      LYS  39 -16.064   0.522  32.121
  314    HG2  LYS  39           HG2      LYS  39 -14.020   1.221  29.983
  315    HG3  LYS  39           HG1      LYS  39 -14.680   2.376  31.138
  316    HD2  LYS  39           HD2      LYS  39 -13.852   0.975  33.001
  317    HD3  LYS  39           HD1      LYS  39 -13.152  -0.148  31.838
  318    HE2  LYS  39           HE2      LYS  39 -11.405   1.355  32.570
  319    HE3  LYS  39           HE1      LYS  39 -11.811   1.757  30.900
  320    HZ1  LYS  39           HZ1      LYS  39 -11.676   3.587  32.766
  321    HZ2  LYS  39           HZ2      LYS  39 -13.286   3.111  33.030
  322    HZ3  LYS  39           HZ3      LYS  39 -12.806   3.688  31.505
  323    H    GLY  40           HN       GLY  40 -13.495  -1.879  31.990
  324    HA2  GLY  40           HA2      GLY  40 -13.200  -3.078  33.937
  325    HA3  GLY  40           HA1      GLY  40 -14.889  -2.763  34.320
  326    H    ARG  41           HN       ARG  41 -15.964  -4.590  34.620
  327    HA   ARG  41           HA       ARG  41 -15.115  -7.135  33.794
  328    HB2  ARG  41           HB2      ARG  41 -17.431  -7.849  34.398
  329    HB3  ARG  41           HB1      ARG  41 -16.642  -6.890  35.650
  330    HG2  ARG  41           HG2      ARG  41 -17.832  -4.881  34.904
  331    HG3  ARG  41           HG1      ARG  41 -18.574  -5.785  33.588
  332    HD2  ARG  41           HD2      ARG  41 -19.727  -7.226  35.157
  333    HD3  ARG  41           HD1      ARG  41 -18.934  -6.430  36.514
  334    HE   ARG  41           HE       ARG  41 -20.237  -4.430  35.092
  335   HH11  ARG  41          HH21      ARG  41 -21.029  -7.367  36.741
  336   HH12  ARG  41          HH22      ARG  41 -22.611  -6.839  37.208
  337   HH21  ARG  41          HH11      ARG  41 -22.309  -3.732  35.700
  338   HH22  ARG  41          HH12      ARG  41 -23.336  -4.781  36.618
  339    H    ASP  42           HN       ASP  42 -17.319  -4.822  32.307
  340    HA   ASP  42           HA       ASP  42 -18.357  -6.532  30.312
  341    HB2  ASP  42           HB2      ASP  42 -18.066  -3.542  30.524
  342    HB3  ASP  42           HB1      ASP  42 -18.815  -4.314  29.128
  343    H    GLN  43           HN       GLN  43 -15.459  -4.528  30.484
  344    HA   GLN  43           HA       GLN  43 -14.747  -4.732  27.743
  345    HB2  GLN  43           HB2      GLN  43 -13.839  -3.155  29.624
  346    HB3  GLN  43           HB1      GLN  43 -12.697  -4.456  29.930
  347    HG2  GLN  43           HG2      GLN  43 -13.138  -3.091  27.256
  348    HG3  GLN  43           HG1      GLN  43 -11.769  -2.818  28.332
  349   HE21  GLN  43          HE21      GLN  43 -11.134  -5.430  29.130
  350   HE22  GLN  43          HE22      GLN  43 -10.675  -6.342  27.774
  351    H    ILE  44           HN       ILE  44 -13.984  -6.670  30.595
  352    HA   ILE  44           HA       ILE  44 -12.075  -8.370  29.384
  353    HB   ILE  44           HB       ILE  44 -13.911  -8.802  31.751
  354   HG12  ILE  44          HG12      ILE  44 -10.930  -8.261  31.644
  355   HG13  ILE  44          HG11      ILE  44 -12.135  -6.980  31.826
  356   HG21  ILE  44          HG21      ILE  44 -12.171 -10.610  32.291
  357   HG22  ILE  44          HG22      ILE  44 -11.669 -10.482  30.606
  358   HG23  ILE  44          HG23      ILE  44 -13.312 -10.989  31.001
  359   HD11  ILE  44          HD11      ILE  44 -11.355  -7.629  34.036
  360   HD12  ILE  44          HD12      ILE  44 -11.688  -9.327  33.695
  361   HD13  ILE  44          HD13      ILE  44 -13.018  -8.180  33.843
  362    H    ALA  45           HN       ALA  45 -15.591  -8.629  29.772
  363    HA   ALA  45           HA       ALA  45 -15.992 -11.210  28.847
  364    HB1  ALA  45           HB1      ALA  45 -17.751  -9.677  29.759
  365    HB2  ALA  45           HB2      ALA  45 -18.241 -10.520  28.290
  366    HB3  ALA  45           HB3      ALA  45 -17.749  -8.828  28.213
  367    H    ALA  46           HN       ALA  46 -15.859  -8.209  26.918
  368    HA   ALA  46           HA       ALA  46 -16.182  -9.451  24.396
  369    HB1  ALA  46           HB1      ALA  46 -15.028  -7.276  23.609
  370    HB2  ALA  46           HB2      ALA  46 -15.061  -6.813  25.311
  371    HB3  ALA  46           HB3      ALA  46 -16.567  -7.131  24.456
  372    H    SER  47           HN       SER  47 -13.341  -8.617  26.333
  373    HA   SER  47           HA       SER  47 -11.403  -9.273  24.406
  374    HB2  SER  47           HB2      SER  47 -11.224  -9.392  27.420
  375    HB3  SER  47           HB1      SER  47  -9.850  -9.469  26.321
  376    HG   SER  47           HG       SER  47 -10.012  -7.358  26.773
  377    H    PHE  48           HN       PHE  48 -12.864 -11.219  26.993
  378    HA   PHE  48           HA       PHE  48 -11.380 -13.574  26.530
  379    HB2  PHE  48           HB2      PHE  48 -12.655 -13.224  28.585
  380    HB3  PHE  48           HB1      PHE  48 -14.164 -13.233  27.670
  381    HD1  PHE  48           HD1      PHE  48 -11.147 -15.314  28.417
  382    HD2  PHE  48           HD2      PHE  48 -15.270 -15.269  27.215
  383    HE1  PHE  48           HE1      PHE  48 -11.218 -17.788  28.568
  384    HE2  PHE  48           HE2      PHE  48 -15.341 -17.744  27.367
  385    HZ   PHE  48           HZ       PHE  48 -13.314 -19.003  28.043
  386    H    GLU  49           HN       GLU  49 -14.576 -12.544  25.355
  387    HA   GLU  49           HA       GLU  49 -15.057 -14.885  23.816
  388    HB2  GLU  49           HB2      GLU  49 -16.896 -13.431  24.473
  389    HB3  GLU  49           HB1      GLU  49 -16.196 -12.092  23.564
  390    HG2  GLU  49           HG2      GLU  49 -16.521 -13.262  21.457
  391    HG3  GLU  49           HG1      GLU  49 -17.035 -14.724  22.309
  392    H    LEU  50           HN       LEU  50 -13.816 -11.663  22.987
  393    HA   LEU  50           HA       LEU  50 -13.581 -12.084  20.229
  394    HB2  LEU  50           HB2      LEU  50 -13.353  -9.869  21.364
  395    HB3  LEU  50           HB1      LEU  50 -11.784 -10.378  21.971
  396    HG   LEU  50           HG       LEU  50 -11.023 -10.724  19.619
  397   HD11  LEU  50          HD11      LEU  50 -12.561  -9.388  17.927
  398   HD12  LEU  50          HD12      LEU  50 -13.833  -9.823  19.065
  399   HD13  LEU  50          HD13      LEU  50 -12.889 -11.083  18.274
  400   HD21  LEU  50          HD21      LEU  50 -10.465  -8.643  20.719
  401   HD22  LEU  50          HD22      LEU  50 -12.061  -7.979  20.374
  402   HD23  LEU  50          HD23      LEU  50 -10.924  -8.269  19.058
  403    H    ASN  51           HN       ASN  51 -11.319 -12.758  22.882
  404    HA   ASN  51           HA       ASN  51  -9.070 -13.425  21.388
  405    HB2  ASN  51           HB2      ASN  51  -9.041 -13.243  23.831
  406    HB3  ASN  51           HB1      ASN  51 -10.067 -14.669  23.963
  407   HD21  ASN  51          HD21      ASN  51  -7.573 -14.726  25.233
  408   HD22  ASN  51          HD22      ASN  51  -6.533 -15.780  24.402
  409    H    LYS  52           HN       LYS  52 -11.631 -15.617  22.570
  410    HA   LYS  52           HA       LYS  52 -10.630 -17.865  21.139
  411    HB2  LYS  52           HB2      LYS  52 -12.670 -17.366  23.050
  412    HB3  LYS  52           HB1      LYS  52 -13.490 -18.065  21.668
  413    HG2  LYS  52           HG2      LYS  52 -12.845 -19.942  22.956
  414    HG3  LYS  52           HG1      LYS  52 -11.635 -19.865  21.684
  415    HD2  LYS  52           HD2      LYS  52 -10.296 -20.119  23.588
  416    HD3  LYS  52           HD1      LYS  52 -10.300 -18.371  23.388
  417    HE2  LYS  52           HE2      LYS  52 -11.999 -18.106  25.088
  418    HE3  LYS  52           HE1      LYS  52 -12.246 -19.849  25.185
  419    HZ1  LYS  52           HZ1      LYS  52  -9.949 -20.081  25.933
  420    HZ2  LYS  52           HZ2      LYS  52 -10.848 -19.092  26.982
  421    HZ3  LYS  52           HZ3      LYS  52  -9.753 -18.397  25.884
  422    H    LYS  53           HN       LYS  53 -12.995 -15.373  20.445
  423    HA   LYS  53           HA       LYS  53 -14.147 -16.528  18.161
  424    HB2  LYS  53           HB2      LYS  53 -14.847 -14.413  19.461
  425    HB3  LYS  53           HB1      LYS  53 -13.685 -13.566  18.447
  426    HG2  LYS  53           HG2      LYS  53 -14.871 -14.163  16.449
  427    HG3  LYS  53           HG1      LYS  53 -15.897 -15.303  17.322
  428    HD2  LYS  53           HD2      LYS  53 -17.167 -13.264  16.961
  429    HD3  LYS  53           HD1      LYS  53 -16.782 -13.393  18.679
  430    HE2  LYS  53           HE2      LYS  53 -15.131 -11.735  18.565
  431    HE3  LYS  53           HE1      LYS  53 -15.005 -11.842  16.805
  432    HZ1  LYS  53           HZ1      LYS  53 -17.395 -11.088  16.776
  433    HZ2  LYS  53           HZ2      LYS  53 -16.256  -9.920  17.251
  434    HZ3  LYS  53           HZ3      LYS  53 -17.211 -10.703  18.418
  435    H    ILE  54           HN       ILE  54 -11.324 -14.387  18.482
  436    HA   ILE  54           HA       ILE  54 -10.762 -14.296  15.696
  437    HB   ILE  54           HB       ILE  54  -9.047 -13.796  18.132
  438   HG12  ILE  54          HG12      ILE  54 -10.200 -11.880  16.080
  439   HG13  ILE  54          HG11      ILE  54 -10.982 -12.259  17.615
  440   HG21  ILE  54          HG21      ILE  54  -7.433 -14.331  16.515
  441   HG22  ILE  54          HG22      ILE  54  -7.592 -12.585  16.325
  442   HG23  ILE  54          HG23      ILE  54  -8.393 -13.674  15.197
  443   HD11  ILE  54          HD11      ILE  54  -9.645 -10.198  17.814
  444   HD12  ILE  54          HD12      ILE  54  -8.209 -11.077  17.291
  445   HD13  ILE  54          HD13      ILE  54  -8.973 -11.476  18.827
  446    H    ASN  55           HN       ASN  55  -9.536 -16.297  18.360
  447    HA   ASN  55           HA       ASN  55  -7.637 -17.740  16.859
  448    HB2  ASN  55           HB2      ASN  55  -7.658 -17.742  19.309
  449    HB3  ASN  55           HB1      ASN  55  -9.196 -18.603  19.306
  450   HD21  ASN  55          HD21      ASN  55  -8.259 -20.494  20.366
  451   HD22  ASN  55          HD22      ASN  55  -7.202 -21.533  19.538
  452    H    ASP  56           HN       ASP  56 -11.062 -18.315  17.517
  453    HA   ASP  56           HA       ASP  56 -11.246 -20.876  16.348
  454    HB2  ASP  56           HB2      ASP  56 -13.277 -18.680  16.766
  455    HB3  ASP  56           HB1      ASP  56 -13.698 -20.252  16.091
  456    H    TYR  57           HN       TYR  57 -11.622 -17.620  14.993
  457    HA   TYR  57           HA       TYR  57 -12.534 -18.346  12.440
  458    HB2  TYR  57           HB2      TYR  57 -12.495 -16.023  13.331
  459    HB3  TYR  57           HB1      TYR  57 -10.740 -16.014  13.153
  460    HD1  TYR  57           HD1      TYR  57 -13.963 -16.091  11.365
  461    HD2  TYR  57           HD2      TYR  57  -9.690 -15.911  10.958
  462    HE1  TYR  57           HE1      TYR  57 -14.217 -15.469   8.978
  463    HE2  TYR  57           HE2      TYR  57  -9.947 -15.288   8.571
  464    HH   TYR  57           HH       TYR  57 -12.495 -14.068   7.253
  465    H    ILE  58           HN       ILE  58  -9.223 -17.870  13.653
  466    HA   ILE  58           HA       ILE  58  -7.891 -18.401  11.218
  467    HB   ILE  58           HB       ILE  58  -6.999 -18.687  14.097
  468   HG12  ILE  58          HG12      ILE  58  -6.170 -16.633  12.036
  469   HG13  ILE  58          HG11      ILE  58  -7.595 -16.393  13.055
  470   HG21  ILE  58          HG21      ILE  58  -4.673 -18.597  12.980
  471   HG22  ILE  58          HG22      ILE  58  -5.505 -19.053  11.493
  472   HG23  ILE  58          HG23      ILE  58  -5.544 -20.128  12.889
  473   HD11  ILE  58          HD11      ILE  58  -5.591 -15.342  14.054
  474   HD12  ILE  58          HD12      ILE  58  -4.773 -16.905  14.056
  475   HD13  ILE  58          HD13      ILE  58  -6.194 -16.651  15.070
  476    H    ALA  59           HN       ALA  59  -8.851 -20.501  13.911
  477    HA   ALA  59           HA       ALA  59  -7.628 -22.868  13.039
  478    HB1  ALA  59           HB1      ALA  59  -8.741 -22.447  15.278
  479    HB2  ALA  59           HB2      ALA  59  -9.092 -24.011  14.542
  480    HB3  ALA  59           HB3      ALA  59 -10.284 -22.714  14.469
  481    H    GLU  60           HN       GLU  60 -10.666 -21.349  12.117
  482    HA   GLU  60           HA       GLU  60 -11.674 -23.578  10.634
  483    HB2  GLU  60           HB2      GLU  60 -12.350 -20.634  10.619
  484    HB3  GLU  60           HB1      GLU  60 -13.193 -21.824   9.625
  485    HG2  GLU  60           HG2      GLU  60 -13.862 -23.071  11.603
  486    HG3  GLU  60           HG1      GLU  60 -12.923 -22.000  12.638
  487    H    HIS  61           HN       HIS  61  -9.784 -20.697   9.814
  488    HA   HIS  61           HA       HIS  61  -9.129 -21.923   7.199
  489    HB2  HIS  61           HB2      HIS  61  -9.808 -19.008   7.657
  490    HB3  HIS  61           HB1      HIS  61  -9.289 -19.726   6.131
  491    HD2  HIS  61           HD2      HIS  61 -12.551 -18.754   7.563
  492    HE1  HIS  61           HE1      HIS  61 -13.430 -22.321   5.483
  493    HE2  HIS  61           HE2      HIS  61 -14.441 -20.272   6.592
  494    HA   PRO  62           HA       PRO  62  -5.394 -20.415   9.548
  495    HB2  PRO  62           HB2      PRO  62  -4.093 -22.804   9.772
  496    HB3  PRO  62           HB1      PRO  62  -5.315 -22.262  10.937
  497    HG2  PRO  62           HG2      PRO  62  -5.558 -24.237   8.724
  498    HG3  PRO  62           HG1      PRO  62  -6.305 -24.243  10.331
  499    HD2  PRO  62           HD2      PRO  62  -7.607 -23.466   7.989
  500    HD3  PRO  62           HD1      PRO  62  -8.114 -22.991   9.622
  501    H    THR  63           HN       THR  63  -6.049 -22.044   6.625
  502    HA   THR  63           HA       THR  63  -3.315 -21.849   5.591
  503    HB   THR  63           HB       THR  63  -4.227 -23.780   4.712
  504    HG1  THR  63           HG1      THR  63  -3.985 -21.893   3.059
  505   HG21  THR  63          HG21      THR  63  -6.378 -23.736   5.720
  506   HG22  THR  63          HG22      THR  63  -6.684 -23.854   3.987
  507   HG23  THR  63          HG23      THR  63  -6.861 -22.304   4.811
  508    H    SER  64           HN       SER  64  -6.014 -19.867   5.878
  509    HA   SER  64           HA       SER  64  -6.162 -18.508   3.450
  510    HB2  SER  64           HB2      SER  64  -6.954 -16.574   4.818
  511    HB3  SER  64           HB1      SER  64  -7.758 -18.087   5.223
  512    HG   SER  64           HG       SER  64  -5.971 -18.253   6.851
  513    H    GLY  65           HN       GLY  65  -5.086 -16.319   5.837
  514    HA2  GLY  65           HA2      GLY  65  -2.432 -16.061   5.813
  515    HA3  GLY  65           HA1      GLY  65  -2.813 -15.546   4.173
  516    H    ARG  66           HN       ARG  66  -5.191 -14.191   4.570
  517    HA   ARG  66           HA       ARG  66  -4.246 -11.677   5.501
  518    HB2  ARG  66           HB2      ARG  66  -6.089 -12.198   3.739
  519    HB3  ARG  66           HB1      ARG  66  -7.165 -12.329   5.127
  520    HG2  ARG  66           HG2      ARG  66  -7.396 -10.064   4.655
  521    HG3  ARG  66           HG1      ARG  66  -6.057  -9.998   5.798
  522    HD2  ARG  66           HD2      ARG  66  -4.468 -10.066   3.858
  523    HD3  ARG  66           HD1      ARG  66  -5.849  -9.988   2.772
  524    HE   ARG  66           HE       ARG  66  -4.809  -7.821   4.435
  525   HH11  ARG  66          HH21      ARG  66  -7.354  -9.067   2.442
  526   HH12  ARG  66          HH22      ARG  66  -8.023  -7.510   2.089
  527   HH21  ARG  66          HH11      ARG  66  -5.686  -5.785   3.984
  528   HH22  ARG  66          HH12      ARG  66  -7.079  -5.651   2.965
  529    H    ASN  67           HN       ASN  67  -5.632 -14.354   7.083
  530    HA   ASN  67           HA       ASN  67  -7.028 -13.104   9.190
  531    HB2  ASN  67           HB2      ASN  67  -5.493 -15.703   9.327
  532    HB3  ASN  67           HB1      ASN  67  -6.847 -15.208  10.340
  533   HD21  ASN  67          HD21      ASN  67  -7.558 -14.029   7.308
  534   HD22  ASN  67          HD22      ASN  67  -8.476 -15.330   6.719
  535    H    GLN  68           HN       GLN  68  -3.648 -13.475   8.544
  536    HA   GLN  68           HA       GLN  68  -2.468 -13.372  11.028
  537    HB2  GLN  68           HB2      GLN  68  -1.208 -13.491   8.913
  538    HB3  GLN  68           HB1      GLN  68  -1.619 -11.809   8.579
  539    HG2  GLN  68           HG2      GLN  68  -0.422 -11.061  10.547
  540    HG3  GLN  68           HG1      GLN  68  -0.144 -12.723  11.062
  541   HE21  GLN  68          HE21      GLN  68   2.044 -10.937  10.621
  542   HE22  GLN  68          HE22      GLN  68   2.909 -11.477   9.264
  543    H    ALA  69           HN       ALA  69  -4.398 -10.956   9.479
  544    HA   ALA  69           HA       ALA  69  -3.479  -8.773  11.166
  545    HB1  ALA  69           HB1      ALA  69  -4.325  -8.486   8.795
  546    HB2  ALA  69           HB2      ALA  69  -5.077  -7.430   9.990
  547    HB3  ALA  69           HB3      ALA  69  -5.938  -8.854   9.404
  548    H    LEU  70           HN       LEU  70  -5.956 -11.213  11.203
  549    HA   LEU  70           HA       LEU  70  -7.708  -9.933  13.046
  550    HB2  LEU  70           HB2      LEU  70  -7.315 -12.831  12.304
  551    HB3  LEU  70           HB1      LEU  70  -8.576 -12.272  13.395
  552    HG   LEU  70           HG       LEU  70  -8.207 -11.220  10.582
  553   HD11  LEU  70          HD11      LEU  70 -10.037 -12.676   9.925
  554   HD12  LEU  70          HD12      LEU  70 -10.216 -13.260  11.581
  555   HD13  LEU  70          HD13      LEU  70  -8.767 -13.656  10.657
  556   HD21  LEU  70          HD21      LEU  70 -10.193 -10.747  12.800
  557   HD22  LEU  70          HD22      LEU  70 -10.762 -10.683  11.133
  558   HD23  LEU  70          HD23      LEU  70  -9.488  -9.596  11.667
  559    H    THR  71           HN       THR  71  -5.001 -12.175  13.420
  560    HA   THR  71           HA       THR  71  -5.272 -12.636  16.188
  561    HB   THR  71           HB       THR  71  -3.839 -14.087  14.977
  562    HG1  THR  71           HG1      THR  71  -1.772 -12.689  16.086
  563   HG21  THR  71          HG21      THR  71  -2.407 -11.563  14.121
  564   HG22  THR  71          HG22      THR  71  -3.302 -12.683  13.093
  565   HG23  THR  71          HG23      THR  71  -1.785 -13.188  13.833
  566    H    GLN  72           HN       GLN  72  -4.177  -9.886  14.435
  567    HA   GLN  72           HA       GLN  72  -2.437  -8.734  16.336
  568    HB2  GLN  72           HB2      GLN  72  -4.233  -7.432  14.288
  569    HB3  GLN  72           HB1      GLN  72  -2.964  -6.601  15.175
  570    HG2  GLN  72           HG2      GLN  72  -2.444  -9.071  13.511
  571    HG3  GLN  72           HG1      GLN  72  -2.308  -7.439  12.860
  572   HE21  GLN  72          HE21      GLN  72  -0.422  -6.238  13.374
  573   HE22  GLN  72          HE22      GLN  72   0.815  -6.825  14.376
  574    H    LEU  73           HN       LEU  73  -5.947  -8.600  15.939
  575    HA   LEU  73           HA       LEU  73  -6.467  -6.611  17.878
  576    HB2  LEU  73           HB2      LEU  73  -8.083  -8.834  16.655
  577    HB3  LEU  73           HB1      LEU  73  -8.764  -7.864  17.959
  578    HG   LEU  73           HG       LEU  73  -7.491  -6.464  15.610
  579   HD11  LEU  73          HD11      LEU  73  -9.029  -8.136  14.627
  580   HD12  LEU  73          HD12      LEU  73  -9.634  -6.497  14.426
  581   HD13  LEU  73          HD13      LEU  73 -10.327  -7.542  15.663
  582   HD21  LEU  73          HD21      LEU  73  -8.219  -5.126  17.539
  583   HD22  LEU  73          HD22      LEU  73  -9.826  -5.845  17.455
  584   HD23  LEU  73          HD23      LEU  73  -9.261  -4.799  16.157
  585    H    LYS  74           HN       LYS  74  -6.200 -10.139  18.093
  586    HA   LYS  74           HA       LYS  74  -7.034 -10.458  20.749
  587    HB2  LYS  74           HB2      LYS  74  -6.557 -12.310  19.145
  588    HB3  LYS  74           HB1      LYS  74  -4.834 -11.993  19.340
  589    HG2  LYS  74           HG2      LYS  74  -5.180 -12.342  21.848
  590    HG3  LYS  74           HG1      LYS  74  -6.787 -12.939  21.453
  591    HD2  LYS  74           HD2      LYS  74  -4.227 -14.056  20.278
  592    HD3  LYS  74           HD1      LYS  74  -5.056 -14.749  21.670
  593    HE2  LYS  74           HE2      LYS  74  -7.140 -14.862  20.168
  594    HE3  LYS  74           HE1      LYS  74  -6.041 -14.553  18.822
  595    HZ1  LYS  74           HZ1      LYS  74  -6.116 -16.852  18.964
  596    HZ2  LYS  74           HZ2      LYS  74  -6.096 -16.859  20.663
  597    HZ3  LYS  74           HZ3      LYS  74  -4.689 -16.466  19.795
  598    H    GLU  75           HN       GLU  75  -3.754  -9.907  19.463
  599    HA   GLU  75           HA       GLU  75  -2.503  -9.792  22.012
  600    HB2  GLU  75           HB2      GLU  75  -1.644  -8.734  19.310
  601    HB3  GLU  75           HB1      GLU  75  -0.618  -8.731  20.745
  602    HG2  GLU  75           HG2      GLU  75  -0.792 -11.164  20.917
  603    HG3  GLU  75           HG1      GLU  75  -1.892 -11.203  19.540
  604    H    GLN  76           HN       GLN  76  -4.004  -7.391  19.926
  605    HA   GLN  76           HA       GLN  76  -3.041  -5.078  21.230
  606    HB2  GLN  76           HB2      GLN  76  -4.190  -5.149  18.994
  607    HB3  GLN  76           HB1      GLN  76  -5.712  -5.406  19.845
  608    HG2  GLN  76           HG2      GLN  76  -5.505  -3.041  19.388
  609    HG3  GLN  76           HG1      GLN  76  -5.277  -3.279  21.120
  610   HE21  GLN  76          HE21      GLN  76  -3.823  -1.546  21.550
  611   HE22  GLN  76          HE22      GLN  76  -2.294  -1.417  20.823
  612    H    VAL  77           HN       VAL  77  -6.189  -6.748  21.570
  613    HA   VAL  77           HA       VAL  77  -7.110  -5.183  23.726
  614    HB   VAL  77           HB       VAL  77  -7.798  -8.019  22.919
  615   HG11  VAL  77          HG11      VAL  77  -9.002  -6.140  24.959
  616   HG12  VAL  77          HG12      VAL  77  -8.496  -7.815  25.183
  617   HG13  VAL  77          HG13      VAL  77  -9.936  -7.450  24.231
  618   HG21  VAL  77          HG21      VAL  77  -8.371  -6.476  21.173
  619   HG22  VAL  77          HG22      VAL  77  -8.987  -5.295  22.329
  620   HG23  VAL  77          HG23      VAL  77  -9.865  -6.800  22.053
  621    H    THR  78           HN       THR  78  -5.446  -8.326  23.665
  622    HA   THR  78           HA       THR  78  -5.409  -8.764  26.444
  623    HB   THR  78           HB       THR  78  -3.464  -9.677  24.311
  624    HG1  THR  78           HG1      THR  78  -4.958 -11.070  23.890
  625   HG21  THR  78          HG21      THR  78  -3.045 -11.516  26.033
  626   HG22  THR  78          HG22      THR  78  -3.848 -10.468  27.202
  627   HG23  THR  78          HG23      THR  78  -2.364  -9.933  26.412
  628    H    SER  79           HN       SER  79  -3.047  -7.201  24.302
  629    HA   SER  79           HA       SER  79  -1.110  -6.663  26.293
  630    HB2  SER  79           HB2      SER  79  -0.612  -6.574  23.882
  631    HB3  SER  79           HB1      SER  79  -1.664  -5.171  23.717
  632    HG   SER  79           HG       SER  79   0.813  -5.429  25.026
  633    H    ALA  80           HN       ALA  80  -3.912  -4.854  25.123
  634    HA   ALA  80           HA       ALA  80  -3.441  -2.393  26.330
  635    HB1  ALA  80           HB1      ALA  80  -5.802  -1.999  26.151
  636    HB2  ALA  80           HB2      ALA  80  -6.142  -3.729  26.126
  637    HB3  ALA  80           HB3      ALA  80  -5.325  -2.972  24.758
  638    H    LEU  81           HN       LEU  81  -5.120  -5.228  27.678
  639    HA   LEU  81           HA       LEU  81  -5.617  -4.062  30.219
  640    HB2  LEU  81           HB2      LEU  81  -5.331  -6.997  29.547
  641    HB3  LEU  81           HB1      LEU  81  -6.189  -6.304  30.924
  642    HG   LEU  81           HG       LEU  81  -6.895  -5.806  28.016
  643   HD11  LEU  81          HD11      LEU  81  -8.914  -7.211  28.602
  644   HD12  LEU  81          HD12      LEU  81  -8.111  -7.632  30.115
  645   HD13  LEU  81          HD13      LEU  81  -7.396  -8.107  28.574
  646   HD21  LEU  81          HD21      LEU  81  -7.693  -3.936  29.204
  647   HD22  LEU  81          HD22      LEU  81  -8.028  -4.876  30.658
  648   HD23  LEU  81          HD23      LEU  81  -9.076  -5.024  29.251
  649    H    GLY  82           HN       GLY  82  -2.886  -5.749  28.829
  650    HA2  GLY  82           HA2      GLY  82  -0.685  -5.782  29.582
  651    HA3  GLY  82           HA1      GLY  82  -1.202  -4.928  31.033
  652    H    LEU  83           HN       LEU  83  -3.017  -7.718  30.195
  653    HA   LEU  83           HA       LEU  83  -2.434  -9.030  32.635
  654    HB2  LEU  83           HB2      LEU  83  -3.770  -9.958  30.091
  655    HB3  LEU  83           HB1      LEU  83  -3.649 -10.970  31.527
  656    HG   LEU  83           HG       LEU  83  -4.829  -8.180  31.592
  657   HD11  LEU  83          HD11      LEU  83  -6.235 -10.834  31.160
  658   HD12  LEU  83          HD12      LEU  83  -6.149  -9.489  30.021
  659   HD13  LEU  83          HD13      LEU  83  -7.053  -9.314  31.525
  660   HD21  LEU  83          HD21      LEU  83  -4.740 -10.530  33.493
  661   HD22  LEU  83          HD22      LEU  83  -6.044  -9.353  33.603
  662   HD23  LEU  83          HD23      LEU  83  -4.378  -8.837  33.814
  663    H    GLU  84           HN       GLU  84  -1.304  -9.541  29.318
  664    HA   GLU  84           HA       GLU  84   0.463 -10.740  28.477
  665    HB2  GLU  84           HB2      GLU  84   1.715  -9.287  30.070
  666    HB3  GLU  84           HB1      GLU  84   1.544 -10.540  31.298
  667    HG2  GLU  84           HG2      GLU  84   2.732 -12.140  29.860
  668    HG3  GLU  84           HG1      GLU  84   2.888 -10.908  28.608
  669    H    HIS  85           HN       HIS  85   0.520 -12.833  27.971
  670    HA   HIS  85           HA       HIS  85   0.230 -15.107  28.088
  671    HB2  HIS  85           HB2      HIS  85   2.160 -14.948  29.606
  672    HB3  HIS  85           HB1      HIS  85   1.074 -14.671  30.965
  673    HD2  HIS  85           HD2      HIS  85   1.578 -17.596  28.300
  674    HE1  HIS  85           HE1      HIS  85   0.188 -19.234  31.933
  675    HE2  HIS  85           HE2      HIS  85   0.963 -19.787  29.579
  676    H    HIS  86           HN       HIS  86  -1.657 -16.132  28.038
  677    HA   HIS  86           HA       HIS  86  -3.903 -15.225  29.561
  678    HB2  HIS  86           HB2      HIS  86  -3.560 -17.694  27.842
  679    HB3  HIS  86           HB1      HIS  86  -5.095 -17.091  28.467
  680    HD2  HIS  86           HD2      HIS  86  -2.762 -16.493  25.468
  681    HE1  HIS  86           HE1      HIS  86  -5.513 -13.290  25.497
  682    HE2  HIS  86           HE2      HIS  86  -3.705 -14.451  24.142
  683    H    HIS  87           HN       HIS  87  -4.952 -16.201  31.271
  684    HA   HIS  87           HA       HIS  87  -3.322 -17.998  32.898
  685    HB2  HIS  87           HB2      HIS  87  -4.483 -15.993  33.864
  686    HB3  HIS  87           HB1      HIS  87  -6.022 -16.788  33.531
  687    HD2  HIS  87           HD2      HIS  87  -3.068 -17.031  36.077
  688    HE1  HIS  87           HE1      HIS  87  -5.881 -20.011  37.091
  689    HE2  HIS  87           HE2      HIS  87  -3.763 -18.826  37.840
  690    H    HIS  88           HN       HIS  88  -3.563 -19.810  31.391
  691    HA   HIS  88           HA       HIS  88  -6.080 -21.004  30.846
  692    HB2  HIS  88           HB2      HIS  88  -3.964 -21.449  29.575
  693    HB3  HIS  88           HB1      HIS  88  -3.385 -22.374  30.961
  694    HD2  HIS  88           HD2      HIS  88  -3.607 -24.673  29.105
  695    HE1  HIS  88           HE1      HIS  88  -7.808 -24.861  29.484
  696    HE2  HIS  88           HE2      HIS  88  -5.749 -26.100  28.661
  697    H    HIS  89           HN       HIS  89  -3.645 -21.533  33.369
  698    HA   HIS  89           HA       HIS  89  -5.688 -22.784  35.061
  699    HB2  HIS  89           HB2      HIS  89  -3.061 -24.131  34.382
  700    HB3  HIS  89           HB1      HIS  89  -4.213 -24.687  35.598
  701    HD2  HIS  89           HD2      HIS  89  -3.669 -24.931  31.782
  702    HE1  HIS  89           HE1      HIS  89  -7.531 -26.449  32.559
  703    HE2  HIS  89           HE2      HIS  89  -5.721 -26.210  30.795
  704    H    HIS  90           HN       HIS  90  -4.992 -22.972  37.305
  705    HA   HIS  90           HA       HIS  90  -3.795 -20.642  38.288
  706    HB2  HIS  90           HB2      HIS  90  -4.205 -23.342  39.589
  707    HB3  HIS  90           HB1      HIS  90  -3.672 -21.903  40.459
  708    HD2  HIS  90           HD2      HIS  90  -5.712 -20.076  41.061
  709    HE1  HIS  90           HE1      HIS  90  -8.815 -22.071  39.007
  710    HE2  HIS  90           HE2      HIS  90  -8.278 -20.151  40.581
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  -7.179   5.910  14.103
    2    H2   MET   1           HT2      MET   1  -6.123   6.120  12.788
    3    H3   MET   1           HT3      MET   1  -5.731   6.769  14.308
    4    HA   MET   1           HA       MET   1  -6.209   3.923  14.322
    5    HB2  MET   1           HB2      MET   1  -3.880   5.144  12.817
    6    HB3  MET   1           HB1      MET   1  -3.945   3.461  13.342
    7    HG2  MET   1           HG2      MET   1  -6.031   3.151  12.039
    8    HG3  MET   1           HG1      MET   1  -5.912   4.816  11.473
    9    HE1  MET   1           HE1      MET   1  -2.854   5.361  10.733
   10    HE2  MET   1           HE2      MET   1  -4.393   5.764   9.977
   11    HE3  MET   1           HE3      MET   1  -3.131   4.985   9.028
   12    H    GLY   2           HN       GLY   2  -6.192   4.148  16.544
   13    HA2  GLY   2           HA2      GLY   2  -3.588   4.434  17.776
   14    HA3  GLY   2           HA1      GLY   2  -4.726   5.708  18.207
   15    H    GLN   3           HN       GLN   3  -3.680   3.967  20.113
   16    HA   GLN   3           HA       GLN   3  -4.244   2.421  21.734
   17    HB2  GLN   3           HB2      GLN   3  -6.890   3.802  21.236
   18    HB3  GLN   3           HB1      GLN   3  -6.562   2.759  22.619
   19    HG2  GLN   3           HG2      GLN   3  -4.947   5.230  21.928
   20    HG3  GLN   3           HG1      GLN   3  -6.248   5.197  23.116
   21   HE21  GLN   3          HE21      GLN   3  -5.829   4.170  25.167
   22   HE22  GLN   3          HE22      GLN   3  -4.282   3.627  25.608
   23    H    ILE   4           HN       ILE   4  -7.517   2.122  20.766
   24    HA   ILE   4           HA       ILE   4  -7.118  -0.686  20.123
   25    HB   ILE   4           HB       ILE   4  -9.596   0.940  20.437
   26   HG12  ILE   4          HG12      ILE   4  -8.448  -1.211  22.219
   27   HG13  ILE   4          HG11      ILE   4  -8.179   0.511  22.486
   28   HG21  ILE   4          HG21      ILE   4 -10.663  -1.378  20.553
   29   HG22  ILE   4          HG22      ILE   4  -9.151  -1.989  19.881
   30   HG23  ILE   4          HG23      ILE   4 -10.131  -0.854  18.955
   31   HD11  ILE   4          HD11      ILE   4 -10.682   0.814  22.526
   32   HD12  ILE   4          HD12      ILE   4 -10.054  -0.158  23.857
   33   HD13  ILE   4          HD13      ILE   4 -10.837  -0.942  22.484
   34    H    PHE   5           HN       PHE   5  -7.219  -1.559  18.138
   35    HA   PHE   5           HA       PHE   5  -7.112   0.087  15.832
   36    HB2  PHE   5           HB2      PHE   5  -7.320  -2.874  16.342
   37    HB3  PHE   5           HB1      PHE   5  -7.551  -2.271  14.701
   38    HD1  PHE   5           HD2      PHE   5  -5.222  -1.758  17.605
   39    HD2  PHE   5           HD1      PHE   5  -5.650  -2.088  13.344
   40    HE1  PHE   5           HE2      PHE   5  -2.766  -1.549  17.343
   41    HE2  PHE   5           HE1      PHE   5  -3.192  -1.874  13.082
   42    HZ   PHE   5           HZ       PHE   5  -1.750  -1.606  15.083
   43    H    THR   6           HN       THR   6  -8.638   0.745  14.430
   44    HA   THR   6           HA       THR   6 -11.405   0.538  15.219
   45    HB   THR   6           HB       THR   6 -10.353   1.664  12.627
   46    HG1  THR   6           HG1      THR   6 -10.758   3.471  14.580
   47   HG21  THR   6          HG21      THR   6 -12.329   3.015  12.697
   48   HG22  THR   6          HG22      THR   6 -12.673   2.534  14.359
   49   HG23  THR   6          HG23      THR   6 -12.838   1.364  13.051
   50    H    VAL   7           HN       VAL   7 -13.043  -0.561  14.185
   51    HA   VAL   7           HA       VAL   7 -12.387  -2.988  12.901
   52    HB   VAL   7           HB       VAL   7 -14.453  -2.711  14.179
   53   HG11  VAL   7          HG11      VAL   7 -15.535  -1.023  11.918
   54   HG12  VAL   7          HG12      VAL   7 -14.737  -0.282  13.306
   55   HG13  VAL   7          HG13      VAL   7 -16.193  -1.247  13.539
   56   HG21  VAL   7          HG21      VAL   7 -15.218  -3.146  11.282
   57   HG22  VAL   7          HG22      VAL   7 -15.871  -3.941  12.715
   58   HG23  VAL   7          HG23      VAL   7 -14.237  -4.314  12.168
   59    H    GLN   8           HN       GLN   8 -13.727   0.052  11.623
   60    HA   GLN   8           HA       GLN   8 -14.044  -0.731   8.966
   61    HB2  GLN   8           HB2      GLN   8 -13.537   1.905  10.313
   62    HB3  GLN   8           HB1      GLN   8 -13.582   1.815   8.552
   63    HG2  GLN   8           HG2      GLN   8 -15.788   0.565  10.190
   64    HG3  GLN   8           HG1      GLN   8 -15.806   2.297   9.849
   65   HE21  GLN   8          HE21      GLN   8 -17.463  -0.125   8.800
   66   HE22  GLN   8          HE22      GLN   8 -17.425   0.080   7.115
   67    H    GLU   9           HN       GLU   9 -11.161   0.206  10.718
   68    HA   GLU   9           HA       GLU   9  -9.508   0.603   8.436
   69    HB2  GLU   9           HB2      GLU   9  -8.988   1.431  10.732
   70    HB3  GLU   9           HB1      GLU   9  -8.689  -0.234  11.227
   71    HG2  GLU   9           HG2      GLU   9  -7.249   0.995   8.873
   72    HG3  GLU   9           HG1      GLU   9  -6.648   1.177  10.518
   73    H    LEU  10           HN       LEU  10  -9.564  -2.100  10.775
   74    HA   LEU  10           HA       LEU  10  -8.028  -3.804   9.099
   75    HB2  LEU  10           HB2      LEU  10  -8.071  -4.107  11.528
   76    HB3  LEU  10           HB1      LEU  10  -9.789  -4.492  11.462
   77    HG   LEU  10           HG       LEU  10  -9.307  -6.470  10.067
   78   HD11  LEU  10          HD11      LEU  10  -6.743  -7.093  10.040
   79   HD12  LEU  10          HD12      LEU  10  -6.515  -5.350  10.174
   80   HD13  LEU  10          HD13      LEU  10  -7.398  -6.024   8.803
   81   HD21  LEU  10          HD21      LEU  10  -8.420  -7.829  11.803
   82   HD22  LEU  10          HD22      LEU  10  -9.205  -6.481  12.624
   83   HD23  LEU  10          HD23      LEU  10  -7.451  -6.505  12.451
   84    H    LYS  11           HN       LYS  11 -11.482  -3.403   9.641
   85    HA   LYS  11           HA       LYS  11 -12.416  -5.688   8.335
   86    HB2  LYS  11           HB2      LYS  11 -13.866  -4.231   9.673
   87    HB3  LYS  11           HB1      LYS  11 -13.684  -2.947   8.480
   88    HG2  LYS  11           HG2      LYS  11 -14.775  -4.290   6.790
   89    HG3  LYS  11           HG1      LYS  11 -14.850  -5.672   7.885
   90    HD2  LYS  11           HD2      LYS  11 -16.291  -4.361   9.410
   91    HD3  LYS  11           HD1      LYS  11 -16.227  -3.002   8.286
   92    HE2  LYS  11           HE2      LYS  11 -18.281  -4.258   7.899
   93    HE3  LYS  11           HE1      LYS  11 -17.202  -4.465   6.518
   94    HZ1  LYS  11           HZ1      LYS  11 -16.414  -6.546   7.623
   95    HZ2  LYS  11           HZ2      LYS  11 -18.025  -6.592   7.086
   96    HZ3  LYS  11           HZ3      LYS  11 -17.683  -6.374   8.735
   97    H    GLU  12           HN       GLU  12 -11.817  -2.428   7.014
   98    HA   GLU  12           HA       GLU  12 -12.535  -3.096   4.355
   99    HB2  GLU  12           HB2      GLU  12 -10.821  -0.901   5.515
  100    HB3  GLU  12           HB1      GLU  12 -11.181  -1.026   3.792
  101    HG2  GLU  12           HG2      GLU  12 -13.568  -0.885   4.233
  102    HG3  GLU  12           HG1      GLU  12 -13.285  -0.910   5.972
  103    H    ARG  13           HN       ARG  13  -9.412  -3.023   6.039
  104    HA   ARG  13           HA       ARG  13  -7.875  -3.744   3.748
  105    HB2  ARG  13           HB2      ARG  13  -6.915  -2.608   5.735
  106    HB3  ARG  13           HB1      ARG  13  -7.191  -4.071   6.681
  107    HG2  ARG  13           HG2      ARG  13  -5.723  -5.340   5.155
  108    HG3  ARG  13           HG1      ARG  13  -5.452  -3.882   4.202
  109    HD2  ARG  13           HD2      ARG  13  -4.546  -2.784   6.273
  110    HD3  ARG  13           HD1      ARG  13  -4.671  -4.339   7.092
  111    HE   ARG  13           HE       ARG  13  -3.183  -4.502   4.633
  112   HH11  ARG  13          HH21      ARG  13  -3.086  -3.659   7.986
  113   HH12  ARG  13          HH22      ARG  13  -1.386  -3.948   8.153
  114   HH21  ARG  13          HH11      ARG  13  -0.954  -4.885   4.842
  115   HH22  ARG  13          HH12      ARG  13  -0.179  -4.642   6.372
  116    H    ALA  14           HN       ALA  14  -9.312  -5.564   6.412
  117    HA   ALA  14           HA       ALA  14  -8.184  -8.070   5.721
  118    HB1  ALA  14           HB1      ALA  14  -9.018  -7.701   7.963
  119    HB2  ALA  14           HB2      ALA  14  -9.949  -9.001   7.218
  120    HB3  ALA  14           HB3      ALA  14 -10.637  -7.382   7.339
  121    H    LYS  15           HN       LYS  15 -11.213  -6.490   4.899
  122    HA   LYS  15           HA       LYS  15 -12.408  -8.687   3.595
  123    HB2  LYS  15           HB2      LYS  15 -12.741  -5.710   3.416
  124    HB3  LYS  15           HB1      LYS  15 -13.684  -6.786   2.389
  125    HG2  LYS  15           HG2      LYS  15 -13.570  -7.160   5.384
  126    HG3  LYS  15           HG1      LYS  15 -14.721  -6.052   4.640
  127    HD2  LYS  15           HD2      LYS  15 -15.399  -8.071   3.150
  128    HD3  LYS  15           HD1      LYS  15 -14.535  -9.057   4.329
  129    HE2  LYS  15           HE2      LYS  15 -16.751  -7.117   5.016
  130    HE3  LYS  15           HE1      LYS  15 -16.964  -8.858   4.841
  131    HZ1  LYS  15           HZ1      LYS  15 -16.639  -8.407   7.132
  132    HZ2  LYS  15           HZ2      LYS  15 -15.277  -7.438   6.825
  133    HZ3  LYS  15           HZ3      LYS  15 -15.205  -9.115   6.567
  134    H    VAL  16           HN       VAL  16 -10.257  -6.125   2.452
  135    HA   VAL  16           HA       VAL  16  -9.082  -5.872   0.492
  136    HB   VAL  16           HB       VAL  16  -9.391  -8.883   0.378
  137   HG11  VAL  16          HG11      VAL  16  -8.635  -8.135  -1.747
  138   HG12  VAL  16          HG12      VAL  16  -7.174  -8.615  -0.883
  139   HG13  VAL  16          HG13      VAL  16  -7.592  -6.908  -1.030
  140   HG21  VAL  16          HG21      VAL  16  -7.132  -8.861   1.454
  141   HG22  VAL  16          HG22      VAL  16  -8.384  -8.178   2.492
  142   HG23  VAL  16          HG23      VAL  16  -7.271  -7.111   1.637
  143    H    PHE  17           HN       PHE  17 -10.998  -8.690  -0.503
  144    HA   PHE  17           HA       PHE  17 -11.765  -7.454  -2.967
  145    HB2  PHE  17           HB2      PHE  17 -11.459  -9.903  -2.713
  146    HB3  PHE  17           HB1      PHE  17 -12.874  -9.950  -1.660
  147    HD1  PHE  17           HD1      PHE  17 -11.747  -8.959  -5.080
  148    HD2  PHE  17           HD2      PHE  17 -15.055 -10.068  -2.574
  149    HE1  PHE  17           HE1      PHE  17 -13.218  -9.072  -7.072
  150    HE2  PHE  17           HE2      PHE  17 -16.527 -10.181  -4.568
  151    HZ   PHE  17           HZ       PHE  17 -15.608  -9.683  -6.817
  152    H    ALA  18           HN       ALA  18 -14.154  -7.463  -3.620
  153    HA   ALA  18           HA       ALA  18 -15.541  -5.492  -2.288
  154    HB1  ALA  18           HB1      ALA  18 -17.512  -6.195  -3.540
  155    HB2  ALA  18           HB2      ALA  18 -16.773  -7.764  -3.865
  156    HB3  ALA  18           HB3      ALA  18 -16.082  -6.302  -4.567
  157    H    LYS  19           HN       LYS  19 -17.037  -5.395  -0.659
  158    HA   LYS  19           HA       LYS  19 -16.940  -7.405   1.303
  159    HB2  LYS  19           HB2      LYS  19 -18.621  -4.942   0.978
  160    HB3  LYS  19           HB1      LYS  19 -18.882  -6.047   2.328
  161    HG2  LYS  19           HG2      LYS  19 -17.316  -4.237   2.945
  162    HG3  LYS  19           HG1      LYS  19 -16.528  -5.813   2.996
  163    HD2  LYS  19           HD2      LYS  19 -15.339  -5.431   1.002
  164    HD3  LYS  19           HD1      LYS  19 -16.424  -4.137   0.490
  165    HE2  LYS  19           HE2      LYS  19 -14.669  -3.933   2.946
  166    HE3  LYS  19           HE1      LYS  19 -14.161  -3.372   1.352
  167    HZ1  LYS  19           HZ1      LYS  19 -16.715  -2.512   2.563
  168    HZ2  LYS  19           HZ2      LYS  19 -15.856  -1.793   1.286
  169    HZ3  LYS  19           HZ3      LYS  19 -15.265  -1.691   2.875
  170    HA   PRO  20           HA       PRO  20 -20.224  -9.900  -0.543
  171    HB2  PRO  20           HB2      PRO  20 -20.152 -12.010   1.171
  172    HB3  PRO  20           HB1      PRO  20 -18.904 -11.747  -0.065
  173    HG2  PRO  20           HG2      PRO  20 -18.825 -11.147   2.860
  174    HG3  PRO  20           HG1      PRO  20 -17.559 -11.809   1.809
  175    HD2  PRO  20           HD2      PRO  20 -17.684  -9.156   2.574
  176    HD3  PRO  20           HD1      PRO  20 -16.881  -9.717   1.090
  177    H    ILE  21           HN       ILE  21 -22.405 -10.391  -0.092
  178    HA   ILE  21           HA       ILE  21 -23.533  -8.949   2.200
  179    HB   ILE  21           HB       ILE  21 -24.466  -8.583  -0.069
  180   HG12  ILE  21          HG12      ILE  21 -26.434 -10.017   1.737
  181   HG13  ILE  21          HG11      ILE  21 -25.820  -8.393   2.067
  182   HG21  ILE  21          HG21      ILE  21 -25.571 -11.390   0.116
  183   HG22  ILE  21          HG22      ILE  21 -24.063 -11.043  -0.730
  184   HG23  ILE  21          HG23      ILE  21 -25.570 -10.303  -1.273
  185   HD11  ILE  21          HD11      ILE  21 -26.674  -7.632  -0.125
  186   HD12  ILE  21          HD12      ILE  21 -27.972  -8.273   0.881
  187   HD13  ILE  21          HD13      ILE  21 -27.311  -9.247  -0.434
  188    H    GLY  22           HN       GLY  22 -24.244  -9.945   3.976
  189    HA2  GLY  22           HA2      GLY  22 -25.410 -12.569   3.933
  190    HA3  GLY  22           HA1      GLY  22 -23.799 -12.568   4.646
  191    H    ALA  23           HN       ALA  23 -24.055  -9.872   5.727
  192    HA   ALA  23           HA       ALA  23 -24.898  -8.728   7.539
  193    HB1  ALA  23           HB1      ALA  23 -27.159  -9.697   6.551
  194    HB2  ALA  23           HB2      ALA  23 -27.118  -8.977   8.159
  195    HB3  ALA  23           HB3      ALA  23 -27.091 -10.732   7.978
  196    H    SER  24           HN       SER  24 -24.548 -12.198   7.600
  197    HA   SER  24           HA       SER  24 -24.345 -12.452  10.448
  198    HB2  SER  24           HB2      SER  24 -23.469 -14.713   9.922
  199    HB3  SER  24           HB1      SER  24 -24.977 -14.363   9.080
  200    HG   SER  24           HG       SER  24 -22.455 -14.803   8.098
  201    H    TYR  25           HN       TYR  25 -22.162 -11.619   7.884
  202    HA   TYR  25           HA       TYR  25 -19.745 -12.171   9.343
  203    HB2  TYR  25           HB2      TYR  25 -20.269 -10.511   6.867
  204    HB3  TYR  25           HB1      TYR  25 -18.665 -10.862   7.512
  205    HD1  TYR  25           HD1      TYR  25 -17.868 -13.236   7.655
  206    HD2  TYR  25           HD2      TYR  25 -21.503 -12.155   5.639
  207    HE1  TYR  25           HE1      TYR  25 -17.874 -15.426   6.492
  208    HE2  TYR  25           HE2      TYR  25 -21.510 -14.345   4.476
  209    HH   TYR  25           HH       TYR  25 -20.568 -16.377   4.382
  210    H    GLN  26           HN       GLN  26 -22.019  -9.580   9.213
  211    HA   GLN  26           HA       GLN  26 -20.347  -7.437  10.009
  212    HB2  GLN  26           HB2      GLN  26 -22.600  -7.093   9.086
  213    HB3  GLN  26           HB1      GLN  26 -23.303  -7.851  10.516
  214    HG2  GLN  26           HG2      GLN  26 -22.446  -6.107  11.948
  215    HG3  GLN  26           HG1      GLN  26 -21.514  -5.410  10.623
  216   HE21  GLN  26          HE21      GLN  26 -23.496  -3.902  12.090
  217   HE22  GLN  26          HE22      GLN  26 -24.758  -3.531  11.018
  218    H    GLY  27           HN       GLY  27 -21.602 -10.150  11.710
  219    HA2  GLY  27           HA2      GLY  27 -21.853  -9.244  14.322
  220    HA3  GLY  27           HA1      GLY  27 -21.307 -10.859  13.883
  221    H    ILE  28           HN       ILE  28 -19.011  -9.543  12.378
  222    HA   ILE  28           HA       ILE  28 -17.078  -9.738  14.458
  223    HB   ILE  28           HB       ILE  28 -16.650 -10.255  12.039
  224   HG12  ILE  28          HG12      ILE  28 -14.815  -8.117  13.159
  225   HG13  ILE  28          HG11      ILE  28 -14.849  -9.776  13.756
  226   HG21  ILE  28          HG21      ILE  28 -17.856  -8.123  11.269
  227   HG22  ILE  28          HG22      ILE  28 -16.336  -8.496  10.459
  228   HG23  ILE  28          HG23      ILE  28 -16.386  -7.258  11.714
  229   HD11  ILE  28          HD11      ILE  28 -14.243 -10.632  11.564
  230   HD12  ILE  28          HD12      ILE  28 -13.078  -9.391  12.027
  231   HD13  ILE  28          HD13      ILE  28 -14.352  -9.017  10.865
  232    H    LEU  29           HN       LEU  29 -18.929  -7.130  13.141
  233    HA   LEU  29           HA       LEU  29 -17.198  -5.071  14.295
  234    HB2  LEU  29           HB2      LEU  29 -18.192  -4.648  12.111
  235    HB3  LEU  29           HB1      LEU  29 -19.809  -4.897  12.763
  236    HG   LEU  29           HG       LEU  29 -18.192  -2.865  14.232
  237   HD11  LEU  29          HD11      LEU  29 -18.519  -1.109  12.542
  238   HD12  LEU  29          HD12      LEU  29 -19.150  -2.303  11.409
  239   HD13  LEU  29          HD13      LEU  29 -17.466  -2.382  11.927
  240   HD21  LEU  29          HD21      LEU  29 -20.926  -2.528  12.981
  241   HD22  LEU  29          HD22      LEU  29 -20.270  -1.749  14.419
  242   HD23  LEU  29          HD23      LEU  29 -20.713  -3.454  14.467
  243    H    ASP  30           HN       ASP  30 -20.184  -6.754  14.960
  244    HA   ASP  30           HA       ASP  30 -21.335  -4.975  16.800
  245    HB2  ASP  30           HB2      ASP  30 -22.499  -6.954  15.896
  246    HB3  ASP  30           HB1      ASP  30 -21.420  -8.000  16.815
  247    H    GLN  31           HN       GLN  31 -19.066  -7.676  17.319
  248    HA   GLN  31           HA       GLN  31 -18.864  -7.322  20.127
  249    HB2  GLN  31           HB2      GLN  31 -18.216  -9.406  18.898
  250    HB3  GLN  31           HB1      GLN  31 -16.812  -8.548  18.267
  251    HG2  GLN  31           HG2      GLN  31 -16.124  -9.808  20.218
  252    HG3  GLN  31           HG1      GLN  31 -16.102  -8.097  20.636
  253   HE21  GLN  31          HE21      GLN  31 -18.163 -11.028  20.888
  254   HE22  GLN  31          HE22      GLN  31 -18.963 -10.526  22.298
  255    H    LEU  32           HN       LEU  32 -16.815  -6.234  17.425
  256    HA   LEU  32           HA       LEU  32 -14.859  -4.954  19.002
  257    HB2  LEU  32           HB2      LEU  32 -15.771  -4.456  16.161
  258    HB3  LEU  32           HB1      LEU  32 -14.361  -3.681  16.883
  259    HG   LEU  32           HG       LEU  32 -14.755  -6.684  16.715
  260   HD11  LEU  32          HD11      LEU  32 -13.214  -4.777  14.933
  261   HD12  LEU  32          HD12      LEU  32 -14.543  -5.839  14.469
  262   HD13  LEU  32          HD13      LEU  32 -12.984  -6.527  14.922
  263   HD21  LEU  32          HD21      LEU  32 -13.183  -6.433  18.404
  264   HD22  LEU  32          HD22      LEU  32 -12.603  -4.883  17.798
  265   HD23  LEU  32          HD23      LEU  32 -12.107  -6.379  17.014
  266    H    ASP  33           HN       ASP  33 -17.848  -3.752  17.527
  267    HA   ASP  33           HA       ASP  33 -17.526  -1.046  18.258
  268    HB2  ASP  33           HB2      ASP  33 -19.183  -1.884  16.598
  269    HB3  ASP  33           HB1      ASP  33 -20.115  -2.574  17.926
  270    H    LEU  34           HN       LEU  34 -18.865  -3.831  19.937
  271    HA   LEU  34           HA       LEU  34 -20.047  -2.462  22.098
  272    HB2  LEU  34           HB2      LEU  34 -20.251  -4.963  21.401
  273    HB3  LEU  34           HB1      LEU  34 -18.796  -5.192  22.370
  274    HG   LEU  34           HG       LEU  34 -20.185  -3.803  24.185
  275   HD11  LEU  34          HD11      LEU  34 -22.435  -5.238  22.764
  276   HD12  LEU  34          HD12      LEU  34 -22.077  -3.543  22.441
  277   HD13  LEU  34          HD13      LEU  34 -22.537  -4.052  24.064
  278   HD21  LEU  34          HD21      LEU  34 -21.027  -5.951  25.098
  279   HD22  LEU  34          HD22      LEU  34 -19.369  -6.096  24.515
  280   HD23  LEU  34          HD23      LEU  34 -20.702  -6.727  23.548
  281    H    VAL  35           HN       VAL  35 -16.762  -3.630  21.546
  282    HA   VAL  35           HA       VAL  35 -15.734  -3.306  24.131
  283    HB   VAL  35           HB       VAL  35 -14.399  -2.991  21.430
  284   HG11  VAL  35          HG11      VAL  35 -12.296  -3.463  22.799
  285   HG12  VAL  35          HG12      VAL  35 -13.253  -3.083  24.230
  286   HG13  VAL  35          HG13      VAL  35 -12.989  -1.852  22.995
  287   HG21  VAL  35          HG21      VAL  35 -13.717  -5.263  21.726
  288   HG22  VAL  35          HG22      VAL  35 -15.434  -5.219  22.122
  289   HG23  VAL  35          HG23      VAL  35 -14.234  -5.271  23.411
  290    H    HIS  36           HN       HIS  36 -16.442  -0.972  21.622
  291    HA   HIS  36           HA       HIS  36 -14.977   1.180  22.864
  292    HB2  HIS  36           HB2      HIS  36 -16.998   1.068  20.622
  293    HB3  HIS  36           HB1      HIS  36 -16.283   2.576  21.191
  294    HD2  HIS  36           HD2      HIS  36 -15.361  -0.395  18.900
  295    HE1  HIS  36           HE1      HIS  36 -11.846   1.884  19.417
  296    HE2  HIS  36           HE2      HIS  36 -12.904  -0.012  18.102
  297    H    GLN  37           HN       GLN  37 -18.376   0.172  22.686
  298    HA   GLN  37           HA       GLN  37 -19.251   2.400  24.338
  299    HB2  GLN  37           HB2      GLN  37 -20.685  -0.015  23.213
  300    HB3  GLN  37           HB1      GLN  37 -21.471   1.225  24.190
  301    HG2  GLN  37           HG2      GLN  37 -20.806   2.946  22.560
  302    HG3  GLN  37           HG1      GLN  37 -19.998   1.719  21.586
  303   HE21  GLN  37          HE21      GLN  37 -21.319   1.480  19.756
  304   HE22  GLN  37          HE22      GLN  37 -22.994   1.213  19.813
  305    H    ALA  38           HN       ALA  38 -18.117  -0.809  24.786
  306    HA   ALA  38           HA       ALA  38 -19.395  -1.261  27.333
  307    HB1  ALA  38           HB1      ALA  38 -17.812  -3.202  27.447
  308    HB2  ALA  38           HB2      ALA  38 -17.138  -2.678  25.904
  309    HB3  ALA  38           HB3      ALA  38 -18.823  -3.188  26.003
  310    H    LYS  39           HN       LYS  39 -18.075  -1.683  29.300
  311    HA   LYS  39           HA       LYS  39 -15.501  -0.434  29.536
  312    HB2  LYS  39           HB2      LYS  39 -17.189   1.497  29.521
  313    HB3  LYS  39           HB1      LYS  39 -17.726   0.881  31.083
  314    HG2  LYS  39           HG2      LYS  39 -16.102   2.408  31.766
  315    HG3  LYS  39           HG1      LYS  39 -15.137   0.937  31.663
  316    HD2  LYS  39           HD2      LYS  39 -14.384   1.572  29.404
  317    HD3  LYS  39           HD1      LYS  39 -15.390   3.019  29.468
  318    HE2  LYS  39           HE2      LYS  39 -14.109   3.824  31.421
  319    HE3  LYS  39           HE1      LYS  39 -13.097   2.382  31.348
  320    HZ1  LYS  39           HZ1      LYS  39 -13.221   4.660  29.499
  321    HZ2  LYS  39           HZ2      LYS  39 -12.758   3.137  28.905
  322    HZ3  LYS  39           HZ3      LYS  39 -11.865   3.875  30.148
  323    H    GLY  40           HN       GLY  40 -14.424  -1.161  31.308
  324    HA2  GLY  40           HA2      GLY  40 -13.999  -2.313  33.254
  325    HA3  GLY  40           HA1      GLY  40 -15.685  -2.067  33.691
  326    H    ARG  41           HN       ARG  41 -16.710  -3.911  34.046
  327    HA   ARG  41           HA       ARG  41 -15.758  -6.469  33.359
  328    HB2  ARG  41           HB2      ARG  41 -18.525  -5.511  34.124
  329    HB3  ARG  41           HB1      ARG  41 -18.054  -7.209  34.018
  330    HG2  ARG  41           HG2      ARG  41 -16.397  -6.935  35.747
  331    HG3  ARG  41           HG1      ARG  41 -16.626  -5.185  35.757
  332    HD2  ARG  41           HD2      ARG  41 -18.957  -5.487  36.475
  333    HD3  ARG  41           HD1      ARG  41 -18.737  -7.234  36.467
  334    HE   ARG  41           HE       ARG  41 -17.503  -7.061  38.457
  335   HH11  ARG  41          HH21      ARG  41 -18.142  -3.965  37.047
  336   HH12  ARG  41          HH22      ARG  41 -17.615  -3.069  38.432
  337   HH21  ARG  41          HH11      ARG  41 -16.801  -5.884  40.282
  338   HH22  ARG  41          HH12      ARG  41 -16.858  -4.153  40.260
  339    H    ASP  42           HN       ASP  42 -18.180  -4.382  31.840
  340    HA   ASP  42           HA       ASP  42 -19.112  -6.233  29.931
  341    HB2  ASP  42           HB2      ASP  42 -20.285  -4.150  30.490
  342    HB3  ASP  42           HB1      ASP  42 -18.972  -3.217  29.773
  343    H    GLN  43           HN       GLN  43 -16.395  -3.976  29.916
  344    HA   GLN  43           HA       GLN  43 -15.727  -4.265  27.172
  345    HB2  GLN  43           HB2      GLN  43 -14.896  -2.443  28.641
  346    HB3  GLN  43           HB1      GLN  43 -13.884  -3.614  29.480
  347    HG2  GLN  43           HG2      GLN  43 -12.688  -4.117  27.422
  348    HG3  GLN  43           HG1      GLN  43 -13.770  -3.069  26.504
  349   HE21  GLN  43          HE21      GLN  43 -10.953  -2.591  26.530
  350   HE22  GLN  43          HE22      GLN  43 -10.664  -1.143  27.366
  351    H    ILE  44           HN       ILE  44 -14.709  -5.965  30.107
  352    HA   ILE  44           HA       ILE  44 -12.731  -7.595  28.901
  353    HB   ILE  44           HB       ILE  44 -14.391  -7.989  31.402
  354   HG12  ILE  44          HG12      ILE  44 -11.470  -7.245  31.065
  355   HG13  ILE  44          HG11      ILE  44 -12.757  -6.047  31.248
  356   HG21  ILE  44          HG21      ILE  44 -12.112  -9.592  30.224
  357   HG22  ILE  44          HG22      ILE  44 -13.681 -10.178  30.775
  358   HG23  ILE  44          HG23      ILE  44 -12.485  -9.628  31.948
  359   HD11  ILE  44          HD11      ILE  44 -11.638  -6.626  33.414
  360   HD12  ILE  44          HD12      ILE  44 -12.213  -8.282  33.223
  361   HD13  ILE  44          HD13      ILE  44 -13.369  -6.964  33.415
  362    H    ALA  45           HN       ALA  45 -16.190  -8.088  29.520
  363    HA   ALA  45           HA       ALA  45 -16.437 -10.753  28.806
  364    HB1  ALA  45           HB1      ALA  45 -18.407  -8.563  28.112
  365    HB2  ALA  45           HB2      ALA  45 -18.258  -9.293  29.711
  366    HB3  ALA  45           HB3      ALA  45 -18.761 -10.276  28.336
  367    H    ALA  46           HN       ALA  46 -16.371  -7.894  26.708
  368    HA   ALA  46           HA       ALA  46 -16.897  -9.238  24.274
  369    HB1  ALA  46           HB1      ALA  46 -17.126  -6.839  24.403
  370    HB2  ALA  46           HB2      ALA  46 -15.852  -7.212  23.243
  371    HB3  ALA  46           HB3      ALA  46 -15.433  -6.659  24.865
  372    H    SER  47           HN       SER  47 -13.929  -8.510  26.044
  373    HA   SER  47           HA       SER  47 -12.112  -9.297  24.056
  374    HB2  SER  47           HB2      SER  47 -11.434  -8.036  26.056
  375    HB3  SER  47           HB1      SER  47 -11.794  -9.436  27.061
  376    HG   SER  47           HG       SER  47  -9.830  -9.180  25.031
  377    H    PHE  48           HN       PHE  48 -13.635 -11.124  26.685
  378    HA   PHE  48           HA       PHE  48 -12.289 -13.566  26.230
  379    HB2  PHE  48           HB2      PHE  48 -14.829 -12.755  27.614
  380    HB3  PHE  48           HB1      PHE  48 -14.527 -14.470  27.343
  381    HD1  PHE  48           HD2      PHE  48 -12.390 -11.522  28.299
  382    HD2  PHE  48           HD1      PHE  48 -13.652 -15.520  29.239
  383    HE1  PHE  48           HE2      PHE  48 -10.840 -11.559  30.233
  384    HE2  PHE  48           HE1      PHE  48 -12.103 -15.554  31.173
  385    HZ   PHE  48           HZ       PHE  48 -10.696 -13.573  31.669
  386    H    GLU  49           HN       GLU  49 -15.418 -12.350  25.048
  387    HA   GLU  49           HA       GLU  49 -16.056 -14.677  23.547
  388    HB2  GLU  49           HB2      GLU  49 -17.728 -12.980  24.239
  389    HB3  GLU  49           HB1      GLU  49 -16.995 -11.832  23.118
  390    HG2  GLU  49           HG2      GLU  49 -17.490 -13.322  21.231
  391    HG3  GLU  49           HG1      GLU  49 -18.171 -14.515  22.336
  392    H    LEU  50           HN       LEU  50 -14.439 -11.638  22.751
  393    HA   LEU  50           HA       LEU  50 -14.233 -12.037  19.968
  394    HB2  LEU  50           HB2      LEU  50 -13.789  -9.868  21.121
  395    HB3  LEU  50           HB1      LEU  50 -12.299 -10.551  21.770
  396    HG   LEU  50           HG       LEU  50 -11.515 -10.976  19.439
  397   HD11  LEU  50          HD11      LEU  50 -14.216  -9.830  18.811
  398   HD12  LEU  50          HD12      LEU  50 -13.339 -11.141  18.022
  399   HD13  LEU  50          HD13      LEU  50 -12.879  -9.470  17.716
  400   HD21  LEU  50          HD21      LEU  50 -10.696  -8.991  20.453
  401   HD22  LEU  50          HD22      LEU  50 -12.246  -8.169  20.281
  402   HD23  LEU  50          HD23      LEU  50 -11.258  -8.492  18.858
  403    H    ASN  51           HN       ASN  51 -12.244 -13.127  22.673
  404    HA   ASN  51           HA       ASN  51  -9.980 -13.972  21.279
  405    HB2  ASN  51           HB2      ASN  51 -10.068 -13.920  23.715
  406    HB3  ASN  51           HB1      ASN  51 -11.295 -15.184  23.719
  407   HD21  ASN  51          HD21      ASN  51 -10.415 -17.180  22.168
  408   HD22  ASN  51          HD22      ASN  51  -8.852 -17.692  22.587
  409    H    LYS  52           HN       LYS  52 -12.971 -15.733  21.999
  410    HA   LYS  52           HA       LYS  52 -12.198 -18.163  20.738
  411    HB2  LYS  52           HB2      LYS  52 -15.070 -17.278  20.943
  412    HB3  LYS  52           HB1      LYS  52 -14.388 -18.892  21.135
  413    HG2  LYS  52           HG2      LYS  52 -14.086 -16.570  23.057
  414    HG3  LYS  52           HG1      LYS  52 -15.033 -18.027  23.316
  415    HD2  LYS  52           HD2      LYS  52 -12.976 -19.387  23.227
  416    HD3  LYS  52           HD1      LYS  52 -12.019 -17.928  22.981
  417    HE2  LYS  52           HE2      LYS  52 -12.769 -17.022  25.099
  418    HE3  LYS  52           HE1      LYS  52 -13.778 -18.443  25.373
  419    HZ1  LYS  52           HZ1      LYS  52 -10.904 -18.144  25.608
  420    HZ2  LYS  52           HZ2      LYS  52 -11.423 -19.576  24.856
  421    HZ3  LYS  52           HZ3      LYS  52 -11.955 -19.197  26.424
  422    H    LYS  53           HN       LYS  53 -13.922 -15.303  19.662
  423    HA   LYS  53           HA       LYS  53 -14.716 -16.244  17.127
  424    HB2  LYS  53           HB2      LYS  53 -15.383 -14.075  18.315
  425    HB3  LYS  53           HB1      LYS  53 -13.887 -13.396  17.680
  426    HG2  LYS  53           HG2      LYS  53 -14.574 -13.902  15.393
  427    HG3  LYS  53           HG1      LYS  53 -16.040 -14.687  15.977
  428    HD2  LYS  53           HD2      LYS  53 -15.437 -11.817  16.696
  429    HD3  LYS  53           HD1      LYS  53 -16.199 -12.217  15.156
  430    HE2  LYS  53           HE2      LYS  53 -17.964 -13.484  16.464
  431    HE3  LYS  53           HE1      LYS  53 -17.260 -12.810  17.934
  432    HZ1  LYS  53           HZ1      LYS  53 -18.863 -11.269  17.435
  433    HZ2  LYS  53           HZ2      LYS  53 -18.675 -11.437  15.755
  434    HZ3  LYS  53           HZ3      LYS  53 -17.518 -10.584  16.661
  435    H    ILE  54           HN       ILE  54 -11.809 -14.371  18.040
  436    HA   ILE  54           HA       ILE  54 -10.665 -14.452  15.433
  437    HB   ILE  54           HB       ILE  54  -9.452 -13.939  18.157
  438   HG12  ILE  54          HG12      ILE  54 -10.033 -12.020  15.884
  439   HG13  ILE  54          HG11      ILE  54 -11.181 -12.336  17.185
  440   HG21  ILE  54          HG21      ILE  54  -8.250 -13.875  15.387
  441   HG22  ILE  54          HG22      ILE  54  -7.604 -14.626  16.844
  442   HG23  ILE  54          HG23      ILE  54  -7.603 -12.866  16.682
  443   HD11  ILE  54          HD11      ILE  54  -9.893 -10.371  17.783
  444   HD12  ILE  54          HD12      ILE  54  -8.379 -11.218  17.466
  445   HD13  ILE  54          HD13      ILE  54  -9.388 -11.699  18.828
  446    H    ASN  55           HN       ASN  55 -10.175 -16.369  18.378
  447    HA   ASN  55           HA       ASN  55  -8.106 -18.000  17.389
  448    HB2  ASN  55           HB2      ASN  55  -8.610 -17.896  19.765
  449    HB3  ASN  55           HB1      ASN  55 -10.210 -18.581  19.486
  450   HD21  ASN  55          HD21      ASN  55  -9.910 -20.574  20.615
  451   HD22  ASN  55          HD22      ASN  55  -8.770 -21.739  20.139
  452    H    ASP  56           HN       ASP  56 -11.629 -18.431  17.395
  453    HA   ASP  56           HA       ASP  56 -11.653 -21.010  16.234
  454    HB2  ASP  56           HB2      ASP  56 -13.710 -18.797  16.300
  455    HB3  ASP  56           HB1      ASP  56 -14.026 -20.382  15.598
  456    H    TYR  57           HN       TYR  57 -11.766 -17.760  14.845
  457    HA   TYR  57           HA       TYR  57 -12.263 -18.467  12.177
  458    HB2  TYR  57           HB2      TYR  57 -12.403 -16.155  12.968
  459    HB3  TYR  57           HB1      TYR  57 -10.664 -16.137  13.265
  460    HD1  TYR  57           HD2      TYR  57 -13.122 -16.885  10.536
  461    HD2  TYR  57           HD1      TYR  57  -9.241 -15.356  11.563
  462    HE1  TYR  57           HE2      TYR  57 -12.741 -16.262   8.168
  463    HE2  TYR  57           HE1      TYR  57  -8.862 -14.731   9.192
  464    HH   TYR  57           HH       TYR  57 -11.284 -15.476   6.686
  465    H    ILE  58           HN       ILE  58  -9.224 -18.170  13.976
  466    HA   ILE  58           HA       ILE  58  -7.471 -18.596  11.803
  467    HB   ILE  58           HB       ILE  58  -7.166 -19.146  14.763
  468   HG12  ILE  58          HG12      ILE  58  -5.925 -16.978  13.051
  469   HG13  ILE  58          HG11      ILE  58  -7.470 -16.756  13.881
  470   HG21  ILE  58          HG21      ILE  58  -4.669 -19.095  14.132
  471   HG22  ILE  58          HG22      ILE  58  -5.203 -19.374  12.475
  472   HG23  ILE  58          HG23      ILE  58  -5.559 -20.563  13.728
  473   HD11  ILE  58          HD11      ILE  58  -4.773 -17.349  15.139
  474   HD12  ILE  58          HD12      ILE  58  -6.294 -17.396  16.031
  475   HD13  ILE  58          HD13      ILE  58  -5.735 -15.883  15.320
  476    H    ALA  59           HN       ALA  59  -8.985 -20.842  14.102
  477    HA   ALA  59           HA       ALA  59  -7.713 -23.191  13.221
  478    HB1  ALA  59           HB1      ALA  59  -9.443 -24.384  14.379
  479    HB2  ALA  59           HB2      ALA  59 -10.533 -22.999  14.295
  480    HB3  ALA  59           HB3      ALA  59  -9.095 -22.930  15.314
  481    H    GLU  60           HN       GLU  60 -10.346 -21.337  11.896
  482    HA   GLU  60           HA       GLU  60 -11.383 -23.387  10.188
  483    HB2  GLU  60           HB2      GLU  60 -12.623 -21.310  10.914
  484    HB3  GLU  60           HB1      GLU  60 -11.603 -20.396   9.801
  485    HG2  GLU  60           HG2      GLU  60 -13.610 -20.928   8.601
  486    HG3  GLU  60           HG1      GLU  60 -12.358 -21.999   7.975
  487    H    HIS  61           HN       HIS  61  -9.026 -20.767   9.793
  488    HA   HIS  61           HA       HIS  61  -8.045 -22.066   7.323
  489    HB2  HIS  61           HB2      HIS  61  -8.381 -19.077   7.592
  490    HB3  HIS  61           HB1      HIS  61  -7.916 -19.985   6.154
  491    HD2  HIS  61           HD2      HIS  61 -11.125 -18.740   7.863
  492    HE1  HIS  61           HE1      HIS  61 -12.335 -21.594   4.996
  493    HE2  HIS  61           HE2      HIS  61 -13.147 -19.784   6.582
  494    HA   PRO  62           HA       PRO  62  -4.707 -20.826  10.360
  495    HB2  PRO  62           HB2      PRO  62  -3.648 -23.320  10.771
  496    HB3  PRO  62           HB1      PRO  62  -4.996 -22.671  11.725
  497    HG2  PRO  62           HG2      PRO  62  -5.044 -24.609   9.461
  498    HG3  PRO  62           HG1      PRO  62  -6.020 -24.576  10.941
  499    HD2  PRO  62           HD2      PRO  62  -6.929 -23.699   8.483
  500    HD3  PRO  62           HD1      PRO  62  -7.575 -23.123  10.031
  501    H    THR  63           HN       THR  63  -4.921 -22.489   7.365
  502    HA   THR  63           HA       THR  63  -2.075 -22.583   6.838
  503    HB   THR  63           HB       THR  63  -3.707 -24.215   5.872
  504    HG1  THR  63           HG1      THR  63  -2.007 -24.279   4.636
  505   HG21  THR  63          HG21      THR  63  -5.443 -22.386   5.443
  506   HG22  THR  63          HG22      THR  63  -5.214 -23.561   4.148
  507   HG23  THR  63          HG23      THR  63  -4.491 -21.958   4.023
  508    H    SER  64           HN       SER  64  -4.686 -20.339   6.372
  509    HA   SER  64           HA       SER  64  -3.316 -18.769   4.360
  510    HB2  SER  64           HB2      SER  64  -5.196 -17.144   4.826
  511    HB3  SER  64           HB1      SER  64  -5.710 -18.742   4.293
  512    HG   SER  64           HG       SER  64  -5.454 -18.832   6.916
  513    H    GLY  65           HN       GLY  65  -2.469 -16.672   4.664
  514    HA2  GLY  65           HA2      GLY  65  -1.329 -16.225   7.342
  515    HA3  GLY  65           HA1      GLY  65  -0.784 -15.488   5.839
  516    H    ARG  66           HN       ARG  66  -3.874 -15.141   5.381
  517    HA   ARG  66           HA       ARG  66  -3.975 -12.393   5.997
  518    HB2  ARG  66           HB2      ARG  66  -5.373 -13.723   4.277
  519    HB3  ARG  66           HB1      ARG  66  -6.429 -14.110   5.634
  520    HG2  ARG  66           HG2      ARG  66  -7.446 -12.152   4.899
  521    HG3  ARG  66           HG1      ARG  66  -6.305 -11.475   6.059
  522    HD2  ARG  66           HD2      ARG  66  -4.666 -11.272   4.087
  523    HD3  ARG  66           HD1      ARG  66  -6.046 -11.607   3.048
  524    HE   ARG  66           HE       ARG  66  -6.865  -9.476   3.516
  525   HH11  ARG  66          HH21      ARG  66  -4.294 -10.358   5.657
  526   HH12  ARG  66          HH22      ARG  66  -4.128  -8.773   6.334
  527   HH21  ARG  66          HH11      ARG  66  -6.651  -7.395   4.397
  528   HH22  ARG  66          HH12      ARG  66  -5.463  -7.095   5.620
  529    H    ASN  67           HN       ASN  67  -5.107 -15.246   7.719
  530    HA   ASN  67           HA       ASN  67  -6.692 -13.985   9.671
  531    HB2  ASN  67           HB2      ASN  67  -5.032 -16.498   9.956
  532    HB3  ASN  67           HB1      ASN  67  -6.383 -16.019  10.980
  533   HD21  ASN  67          HD21      ASN  67  -6.898 -15.136   7.703
  534   HD22  ASN  67          HD22      ASN  67  -7.902 -16.436   7.279
  535    H    GLN  68           HN       GLN  68  -3.219 -14.502   9.450
  536    HA   GLN  68           HA       GLN  68  -2.331 -14.054  11.995
  537    HB2  GLN  68           HB2      GLN  68  -0.855 -14.433  10.041
  538    HB3  GLN  68           HB1      GLN  68  -1.177 -12.786   9.498
  539    HG2  GLN  68           HG2      GLN  68  -0.199 -11.874  11.535
  540    HG3  GLN  68           HG1      GLN  68   0.023 -13.496  12.188
  541   HE21  GLN  68          HE21      GLN  68   2.245 -11.730  11.830
  542   HE22  GLN  68          HE22      GLN  68   3.237 -12.363  10.607
  543    H    ALA  69           HN       ALA  69  -3.996 -11.817   9.932
  544    HA   ALA  69           HA       ALA  69  -3.190  -9.420  11.287
  545    HB1  ALA  69           HB1      ALA  69  -4.762  -8.313   9.913
  546    HB2  ALA  69           HB2      ALA  69  -5.737  -9.768   9.710
  547    HB3  ALA  69           HB3      ALA  69  -4.166  -9.641   8.920
  548    H    LEU  70           HN       LEU  70  -6.094 -11.474  11.407
  549    HA   LEU  70           HA       LEU  70  -7.454  -9.970  13.396
  550    HB2  LEU  70           HB2      LEU  70  -7.679 -12.792  12.358
  551    HB3  LEU  70           HB1      LEU  70  -8.632 -12.276  13.748
  552    HG   LEU  70           HG       LEU  70  -9.553 -10.406  12.429
  553   HD11  LEU  70          HD11      LEU  70  -9.130 -10.570   9.894
  554   HD12  LEU  70          HD12      LEU  70  -7.741 -11.573  10.312
  555   HD13  LEU  70          HD13      LEU  70  -7.829  -9.906  10.882
  556   HD21  LEU  70          HD21      LEU  70  -9.877 -12.934  10.803
  557   HD22  LEU  70          HD22      LEU  70 -11.089 -11.710  11.183
  558   HD23  LEU  70          HD23      LEU  70 -10.524 -12.811  12.439
  559    H    THR  71           HN       THR  71  -5.166 -12.663  13.543
  560    HA   THR  71           HA       THR  71  -5.374 -13.375  16.216
  561    HB   THR  71           HB       THR  71  -2.752 -13.157  14.729
  562    HG1  THR  71           HG1      THR  71  -4.456 -14.189  13.513
  563   HG21  THR  71          HG21      THR  71  -2.124 -15.046  16.113
  564   HG22  THR  71          HG22      THR  71  -3.757 -15.161  16.765
  565   HG23  THR  71          HG23      THR  71  -2.745 -13.773  17.163
  566    H    GLN  72           HN       GLN  72  -3.537 -10.735  14.750
  567    HA   GLN  72           HA       GLN  72  -2.253  -9.830  17.094
  568    HB2  GLN  72           HB2      GLN  72  -3.073  -8.444  14.543
  569    HB3  GLN  72           HB1      GLN  72  -2.136  -7.646  15.808
  570    HG2  GLN  72           HG2      GLN  72  -1.308 -10.234  14.465
  571    HG3  GLN  72           HG1      GLN  72  -0.727  -8.646  13.974
  572   HE21  GLN  72          HE21      GLN  72   0.502 -11.162  15.489
  573   HE22  GLN  72          HE22      GLN  72   1.362 -10.425  16.753
  574    H    LEU  73           HN       LEU  73  -5.466  -9.307  15.788
  575    HA   LEU  73           HA       LEU  73  -6.145  -7.067  17.379
  576    HB2  LEU  73           HB2      LEU  73  -7.359  -8.270  15.318
  577    HB3  LEU  73           HB1      LEU  73  -8.260  -9.049  16.612
  578    HG   LEU  73           HG       LEU  73  -7.971  -6.066  16.159
  579   HD11  LEU  73          HD11      LEU  73 -10.274  -6.115  15.548
  580   HD12  LEU  73          HD12      LEU  73 -10.471  -7.763  16.146
  581   HD13  LEU  73          HD13      LEU  73  -9.529  -7.464  14.688
  582   HD21  LEU  73          HD21      LEU  73  -8.085  -6.240  18.499
  583   HD22  LEU  73          HD22      LEU  73  -9.104  -7.678  18.446
  584   HD23  LEU  73          HD23      LEU  73  -9.785  -6.096  18.055
  585    H    LYS  74           HN       LYS  74  -6.386 -10.564  17.901
  586    HA   LYS  74           HA       LYS  74  -7.910 -10.578  20.243
  587    HB2  LYS  74           HB2      LYS  74  -7.227 -12.597  18.966
  588    HB3  LYS  74           HB1      LYS  74  -5.587 -12.390  19.580
  589    HG2  LYS  74           HG2      LYS  74  -6.361 -12.661  21.873
  590    HG3  LYS  74           HG1      LYS  74  -8.035 -12.717  21.329
  591    HD2  LYS  74           HD2      LYS  74  -7.402 -14.993  21.655
  592    HD3  LYS  74           HD1      LYS  74  -7.371 -14.737  19.913
  593    HE2  LYS  74           HE2      LYS  74  -4.986 -14.591  19.877
  594    HE3  LYS  74           HE1      LYS  74  -4.895 -14.436  21.631
  595    HZ1  LYS  74           HZ1      LYS  74  -5.420 -16.654  21.935
  596    HZ2  LYS  74           HZ2      LYS  74  -4.413 -16.702  20.568
  597    HZ3  LYS  74           HZ3      LYS  74  -6.098 -16.824  20.390
  598    H    GLU  75           HN       GLU  75  -4.343 -10.631  20.010
  599    HA   GLU  75           HA       GLU  75  -3.942 -10.293  22.796
  600    HB2  GLU  75           HB2      GLU  75  -1.593  -9.795  22.171
  601    HB3  GLU  75           HB1      GLU  75  -2.204 -11.254  21.395
  602    HG2  GLU  75           HG2      GLU  75  -1.103 -10.080  19.660
  603    HG3  GLU  75           HG1      GLU  75  -2.812  -9.755  19.411
  604    H    GLN  76           HN       GLN  76  -4.589  -8.084  20.209
  605    HA   GLN  76           HA       GLN  76  -3.504  -5.727  21.315
  606    HB2  GLN  76           HB2      GLN  76  -4.303  -5.970  18.959
  607    HB3  GLN  76           HB1      GLN  76  -5.957  -5.965  19.558
  608    HG2  GLN  76           HG2      GLN  76  -5.396  -3.726  18.842
  609    HG3  GLN  76           HG1      GLN  76  -5.520  -3.729  20.598
  610   HE21  GLN  76          HE21      GLN  76  -3.966  -2.160  21.174
  611   HE22  GLN  76          HE22      GLN  76  -2.333  -2.241  20.720
  612    H    VAL  77           HN       VAL  77  -6.827  -7.028  21.469
  613    HA   VAL  77           HA       VAL  77  -7.876  -5.011  23.122
  614    HB   VAL  77           HB       VAL  77  -8.683  -7.911  22.810
  615   HG11  VAL  77          HG11      VAL  77 -10.014  -5.575  24.199
  616   HG12  VAL  77          HG12      VAL  77  -9.618  -7.153  24.879
  617   HG13  VAL  77          HG13      VAL  77 -10.904  -7.008  23.681
  618   HG21  VAL  77          HG21      VAL  77 -10.474  -6.859  21.389
  619   HG22  VAL  77          HG22      VAL  77  -8.849  -6.659  20.735
  620   HG23  VAL  77          HG23      VAL  77  -9.638  -5.316  21.561
  621    H    THR  78           HN       THR  78  -6.460  -8.175  23.926
  622    HA   THR  78           HA       THR  78  -6.823  -8.014  26.715
  623    HB   THR  78           HB       THR  78  -5.106  -9.764  26.845
  624    HG1  THR  78           HG1      THR  78  -3.792  -8.753  25.174
  625   HG21  THR  78          HG21      THR  78  -7.337 -10.451  26.178
  626   HG22  THR  78          HG22      THR  78  -6.159 -11.366  25.236
  627   HG23  THR  78          HG23      THR  78  -7.010 -10.007  24.502
  628    H    SER  79           HN       SER  79  -4.326  -6.754  24.587
  629    HA   SER  79           HA       SER  79  -2.396  -6.128  26.547
  630    HB2  SER  79           HB2      SER  79  -1.915  -6.109  24.132
  631    HB3  SER  79           HB1      SER  79  -2.976  -4.719  23.931
  632    HG   SER  79           HG       SER  79  -1.358  -4.096  25.877
  633    H    ALA  80           HN       ALA  80  -5.098  -4.246  25.211
  634    HA   ALA  80           HA       ALA  80  -4.589  -1.850  26.579
  635    HB1  ALA  80           HB1      ALA  80  -7.199  -3.041  25.635
  636    HB2  ALA  80           HB2      ALA  80  -6.173  -1.907  24.755
  637    HB3  ALA  80           HB3      ALA  80  -7.014  -1.386  26.216
  638    H    LEU  81           HN       LEU  81  -6.630  -4.611  27.470
  639    HA   LEU  81           HA       LEU  81  -7.482  -3.531  29.950
  640    HB2  LEU  81           HB2      LEU  81  -7.318  -6.359  28.913
  641    HB3  LEU  81           HB1      LEU  81  -8.109  -5.917  30.429
  642    HG   LEU  81           HG       LEU  81  -8.812  -4.697  27.746
  643   HD11  LEU  81          HD11      LEU  81 -10.797  -6.249  27.850
  644   HD12  LEU  81          HD12      LEU  81 -10.032  -7.058  29.219
  645   HD13  LEU  81          HD13      LEU  81  -9.259  -7.083  27.635
  646   HD21  LEU  81          HD21      LEU  81  -9.690  -3.259  29.384
  647   HD22  LEU  81          HD22      LEU  81  -9.963  -4.560  30.539
  648   HD23  LEU  81          HD23      LEU  81 -11.034  -4.370  29.152
  649    H    GLY  82           HN       GLY  82  -4.643  -5.369  28.983
  650    HA2  GLY  82           HA2      GLY  82  -2.806  -6.105  30.172
  651    HA3  GLY  82           HA1      GLY  82  -2.974  -4.564  31.006
  652    H    LEU  83           HN       LEU  83  -4.770  -7.604  30.971
  653    HA   LEU  83           HA       LEU  83  -5.368  -7.550  33.768
  654    HB2  LEU  83           HB2      LEU  83  -6.046 -10.046  33.174
  655    HB3  LEU  83           HB1      LEU  83  -7.027  -8.697  32.623
  656    HG   LEU  83           HG       LEU  83  -6.512 -10.484  30.896
  657   HD11  LEU  83          HD11      LEU  83  -6.574  -7.636  30.617
  658   HD12  LEU  83          HD12      LEU  83  -7.122  -8.871  29.491
  659   HD13  LEU  83          HD13      LEU  83  -5.467  -8.282  29.405
  660   HD21  LEU  83          HD21      LEU  83  -4.350 -10.641  29.898
  661   HD22  LEU  83          HD22      LEU  83  -4.083 -10.713  31.636
  662   HD23  LEU  83          HD23      LEU  83  -3.751  -9.225  30.760
  663    H    GLU  84           HN       GLU  84  -2.610  -8.291  32.076
  664    HA   GLU  84           HA       GLU  84  -0.645  -9.343  32.612
  665    HB2  GLU  84           HB2      GLU  84  -0.910  -8.012  34.700
  666    HB3  GLU  84           HB1      GLU  84  -1.774  -9.368  35.421
  667    HG2  GLU  84           HG2      GLU  84   0.181 -10.809  35.128
  668    HG3  GLU  84           HG1      GLU  84   1.052  -9.493  34.341
  669    H    HIS  85           HN       HIS  85  -0.450 -11.329  31.773
  670    HA   HIS  85           HA       HIS  85  -2.247 -13.476  32.451
  671    HB2  HIS  85           HB2      HIS  85   0.275 -13.380  30.782
  672    HB3  HIS  85           HB1      HIS  85  -0.717 -14.826  30.979
  673    HD2  HIS  85           HD2      HIS  85  -3.212 -14.756  29.619
  674    HE1  HIS  85           HE1      HIS  85  -2.566 -11.052  27.703
  675    HE2  HIS  85           HE2      HIS  85  -4.084 -13.085  27.814
  676    H    HIS  86           HN       HIS  86  -1.856 -15.269  33.700
  677    HA   HIS  86           HA       HIS  86   0.452 -15.092  35.537
  678    HB2  HIS  86           HB2      HIS  86  -2.151 -16.630  35.710
  679    HB3  HIS  86           HB1      HIS  86  -0.860 -16.710  36.908
  680    HD2  HIS  86           HD2      HIS  86  -3.742 -14.311  35.848
  681    HE1  HIS  86           HE1      HIS  86  -1.622 -12.436  38.980
  682    HE2  HIS  86           HE2      HIS  86  -3.705 -12.316  37.532
  683    H    HIS  87           HN       HIS  87   2.037 -16.557  35.515
  684    HA   HIS  87           HA       HIS  87   2.530 -18.267  33.406
  685    HB2  HIS  87           HB2      HIS  87   4.215 -17.570  35.092
  686    HB3  HIS  87           HB1      HIS  87   3.463 -18.656  36.260
  687    HD2  HIS  87           HD2      HIS  87   4.875 -19.210  32.558
  688    HE1  HIS  87           HE1      HIS  87   5.902 -22.519  34.971
  689    HE2  HIS  87           HE2      HIS  87   6.093 -21.518  32.645
  690    H    HIS  88           HN       HIS  88   2.012 -19.673  36.619
  691    HA   HIS  88           HA       HIS  88   1.127 -21.740  37.175
  692    HB2  HIS  88           HB2      HIS  88  -0.841 -20.277  37.234
  693    HB3  HIS  88           HB1      HIS  88  -1.121 -20.574  35.518
  694    HD2  HIS  88           HD2      HIS  88  -2.907 -22.636  35.156
  695    HE1  HIS  88           HE1      HIS  88  -2.143 -24.748  38.730
  696    HE2  HIS  88           HE2      HIS  88  -3.550 -24.702  36.617
  697    H    HIS  89           HN       HIS  89   2.513 -23.146  36.053
  698    HA   HIS  89           HA       HIS  89   1.238 -24.537  33.802
  699    HB2  HIS  89           HB2      HIS  89   2.837 -22.803  32.884
  700    HB3  HIS  89           HB1      HIS  89   4.138 -23.692  33.677
  701    HD2  HIS  89           HD2      HIS  89   1.926 -23.953  30.498
  702    HE1  HIS  89           HE1      HIS  89   4.230 -27.486  30.707
  703    HE2  HIS  89           HE2      HIS  89   2.663 -26.123  29.245
  704    H    HIS  90           HN       HIS  90   1.585 -26.696  33.819
  705    HA   HIS  90           HA       HIS  90   2.166 -28.757  34.646
  706    HB2  HIS  90           HB2      HIS  90   4.383 -27.994  33.742
  707    HB3  HIS  90           HB1      HIS  90   4.782 -27.420  35.361
  708    HD2  HIS  90           HD2      HIS  90   4.310 -30.838  33.472
  709    HE1  HIS  90           HE1      HIS  90   5.778 -31.662  37.344
  710    HE2  HIS  90           HE2      HIS  90   5.225 -32.677  35.083
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1   0.019   3.305  23.325
    2    H2   MET   1           HT2      MET   1  -0.785   4.672  23.937
    3    H3   MET   1           HT3      MET   1  -1.550   3.675  22.794
    4    HA   MET   1           HA       MET   1  -0.681   2.588  25.395
    5    HB2  MET   1           HB2      MET   1  -3.257   4.056  24.754
    6    HB3  MET   1           HB1      MET   1  -3.027   3.045  26.181
    7    HG2  MET   1           HG2      MET   1  -1.139   4.468  26.887
    8    HG3  MET   1           HG1      MET   1  -1.370   5.482  25.461
    9    HE1  MET   1           HE1      MET   1  -2.583   7.832  28.221
   10    HE2  MET   1           HE2      MET   1  -1.869   7.794  26.610
   11    HE3  MET   1           HE3      MET   1  -1.142   6.854  27.911
   12    H    GLY   2           HN       GLY   2  -3.903   2.139  24.797
   13    HA2  GLY   2           HA2      GLY   2  -3.656  -0.609  24.189
   14    HA3  GLY   2           HA1      GLY   2  -5.144   0.330  24.104
   15    H    GLN   3           HN       GLN   3  -4.191   2.240  22.180
   16    HA   GLN   3           HA       GLN   3  -4.350   2.508  19.896
   17    HB2  GLN   3           HB2      GLN   3  -1.951   1.844  20.226
   18    HB3  GLN   3           HB1      GLN   3  -2.417   0.180  19.873
   19    HG2  GLN   3           HG2      GLN   3  -3.265   0.877  17.666
   20    HG3  GLN   3           HG1      GLN   3  -2.820   2.545  18.017
   21   HE21  GLN   3          HE21      GLN   3  -1.086   2.880  16.575
   22   HE22  GLN   3          HE22      GLN   3   0.312   1.918  16.539
   23    H    ILE   4           HN       ILE   4  -6.608   1.616  20.168
   24    HA   ILE   4           HA       ILE   4  -7.008  -1.081  19.110
   25    HB   ILE   4           HB       ILE   4  -8.938   0.976  20.109
   26   HG12  ILE   4          HG12      ILE   4  -8.134  -1.676  21.317
   27   HG13  ILE   4          HG11      ILE   4  -7.375  -0.149  21.767
   28   HG21  ILE   4          HG21      ILE   4 -10.125  -0.347  18.520
   29   HG22  ILE   4          HG22      ILE   4 -10.502  -1.053  20.091
   30   HG23  ILE   4          HG23      ILE   4  -9.311  -1.822  19.043
   31   HD11  ILE   4          HD11      ILE   4 -10.301  -0.881  22.058
   32   HD12  ILE   4          HD12      ILE   4  -9.656   0.737  22.343
   33   HD13  ILE   4          HD13      ILE   4  -9.142  -0.611  23.359
   34    H    PHE   5           HN       PHE   5  -7.548  -1.520  17.058
   35    HA   PHE   5           HA       PHE   5  -7.472   0.526  15.075
   36    HB2  PHE   5           HB2      PHE   5  -8.186  -2.409  15.009
   37    HB3  PHE   5           HB1      PHE   5  -8.259  -1.395  13.567
   38    HD1  PHE   5           HD1      PHE   5  -6.228  -0.423  12.600
   39    HD2  PHE   5           HD2      PHE   5  -6.059  -2.954  16.066
   40    HE1  PHE   5           HE1      PHE   5  -3.777  -0.661  12.305
   41    HE2  PHE   5           HE2      PHE   5  -3.607  -3.193  15.770
   42    HZ   PHE   5           HZ       PHE   5  -2.468  -2.045  13.890
   43    H    THR   6           HN       THR   6  -9.069   1.682  14.178
   44    HA   THR   6           HA       THR   6 -11.745   1.468  15.287
   45    HB   THR   6           HB       THR   6 -10.744   3.328  13.125
   46    HG1  THR   6           HG1      THR   6 -10.006   4.588  14.681
   47   HG21  THR   6          HG21      THR   6 -13.132   3.313  14.981
   48   HG22  THR   6          HG22      THR   6 -13.130   3.352  13.217
   49   HG23  THR   6          HG23      THR   6 -12.599   4.762  14.132
   50    H    VAL   7           HN       VAL   7 -13.650   1.427  13.903
   51    HA   VAL   7           HA       VAL   7 -13.619  -0.751  12.105
   52    HB   VAL   7           HB       VAL   7 -15.699   1.386  12.590
   53   HG11  VAL   7          HG11      VAL   7 -15.687  -1.052  10.814
   54   HG12  VAL   7          HG12      VAL   7 -16.276   0.570  10.465
   55   HG13  VAL   7          HG13      VAL   7 -17.194  -0.485  11.537
   56   HG21  VAL   7          HG21      VAL   7 -15.288  -1.446  13.593
   57   HG22  VAL   7          HG22      VAL   7 -16.806  -0.567  13.784
   58   HG23  VAL   7          HG23      VAL   7 -15.334   0.033  14.549
   59    H    GLN   8           HN       GLN   8 -13.739   2.751  11.590
   60    HA   GLN   8           HA       GLN   8 -14.120   2.789   8.835
   61    HB2  GLN   8           HB2      GLN   8 -12.513   4.649  10.598
   62    HB3  GLN   8           HB1      GLN   8 -12.910   4.986   8.913
   63    HG2  GLN   8           HG2      GLN   8 -15.303   4.850   9.421
   64    HG3  GLN   8           HG1      GLN   8 -14.940   4.442  11.098
   65   HE21  GLN   8          HE21      GLN   8 -15.856   7.017   9.215
   66   HE22  GLN   8          HE22      GLN   8 -15.202   8.284  10.136
   67    H    GLU   9           HN       GLU   9 -11.117   2.436  10.687
   68    HA   GLU   9           HA       GLU   9  -9.381   2.478   8.428
   69    HB2  GLU   9           HB2      GLU   9  -8.628   2.919  10.747
   70    HB3  GLU   9           HB1      GLU   9  -8.926   1.226  11.147
   71    HG2  GLU   9           HG2      GLU   9  -7.297   0.513   9.460
   72    HG3  GLU   9           HG1      GLU   9  -7.033   2.188   8.982
   73    H    LEU  10           HN       LEU  10 -11.166  -0.037  10.085
   74    HA   LEU  10           HA       LEU  10  -9.850  -2.253   8.887
   75    HB2  LEU  10           HB2      LEU  10 -12.472  -1.875  10.305
   76    HB3  LEU  10           HB1      LEU  10 -12.085  -3.419   9.547
   77    HG   LEU  10           HG       LEU  10 -10.096  -2.109  11.402
   78   HD11  LEU  10          HD11      LEU  10 -11.162  -3.696  13.179
   79   HD12  LEU  10          HD12      LEU  10 -12.598  -3.610  12.158
   80   HD13  LEU  10          HD13      LEU  10 -11.928  -2.141  12.867
   81   HD21  LEU  10          HD21      LEU  10  -9.556  -4.549  11.835
   82   HD22  LEU  10          HD22      LEU  10  -9.264  -4.034  10.180
   83   HD23  LEU  10          HD23      LEU  10 -10.707  -4.970  10.569
   84    H    LYS  11           HN       LYS  11 -12.111   0.002   7.706
   85    HA   LYS  11           HA       LYS  11 -13.589  -1.481   5.881
   86    HB2  LYS  11           HB2      LYS  11 -12.483   1.324   5.650
   87    HB3  LYS  11           HB1      LYS  11 -13.708   0.655   4.579
   88    HG2  LYS  11           HG2      LYS  11 -14.116   0.632   7.570
   89    HG3  LYS  11           HG1      LYS  11 -14.483   2.076   6.629
   90    HD2  LYS  11           HD2      LYS  11 -15.997   0.739   5.189
   91    HD3  LYS  11           HD1      LYS  11 -15.667  -0.684   6.174
   92    HE2  LYS  11           HE2      LYS  11 -16.565   0.455   8.151
   93    HE3  LYS  11           HE1      LYS  11 -16.881   1.899   7.185
   94    HZ1  LYS  11           HZ1      LYS  11 -17.955  -0.473   6.004
   95    HZ2  LYS  11           HZ2      LYS  11 -18.719   1.004   6.349
   96    HZ3  LYS  11           HZ3      LYS  11 -18.591  -0.192   7.550
   97    H    GLU  12           HN       GLU  12 -10.318  -0.166   5.598
   98    HA   GLU  12           HA       GLU  12  -9.957  -0.792   2.865
   99    HB2  GLU  12           HB2      GLU  12  -8.504   0.720   4.306
  100    HB3  GLU  12           HB1      GLU  12  -7.786  -0.747   4.968
  101    HG2  GLU  12           HG2      GLU  12  -7.901  -0.208   1.992
  102    HG3  GLU  12           HG1      GLU  12  -6.551   0.313   2.997
  103    H    ARG  13           HN       ARG  13  -9.307  -2.606   5.839
  104    HA   ARG  13           HA       ARG  13  -8.121  -4.847   4.534
  105    HB2  ARG  13           HB2      ARG  13  -9.402  -4.588   7.262
  106    HB3  ARG  13           HB1      ARG  13  -8.464  -5.978   6.721
  107    HG2  ARG  13           HG2      ARG  13  -7.305  -3.192   6.630
  108    HG3  ARG  13           HG1      ARG  13  -7.235  -4.154   8.104
  109    HD2  ARG  13           HD2      ARG  13  -6.139  -5.988   6.748
  110    HD3  ARG  13           HD1      ARG  13  -6.055  -4.855   5.404
  111    HE   ARG  13           HE       ARG  13  -4.869  -3.952   7.913
  112   HH11  ARG  13          HH21      ARG  13  -4.489  -5.410   4.793
  113   HH12  ARG  13          HH22      ARG  13  -2.795  -5.069   4.689
  114   HH21  ARG  13          HH11      ARG  13  -2.649  -3.515   7.785
  115   HH22  ARG  13          HH12      ARG  13  -1.753  -3.998   6.384
  116    H    ALA  14           HN       ALA  14 -11.387  -4.004   5.487
  117    HA   ALA  14           HA       ALA  14 -12.524  -6.572   5.009
  118    HB1  ALA  14           HB1      ALA  14 -13.532  -4.681   6.384
  119    HB2  ALA  14           HB2      ALA  14 -14.634  -5.502   5.280
  120    HB3  ALA  14           HB3      ALA  14 -13.969  -3.927   4.851
  121    H    LYS  15           HN       LYS  15 -11.282  -4.232   2.926
  122    HA   LYS  15           HA       LYS  15 -12.991  -4.169   0.749
  123    HB2  LYS  15           HB2      LYS  15 -10.753  -2.963   1.035
  124    HB3  LYS  15           HB1      LYS  15  -9.996  -4.450   0.469
  125    HG2  LYS  15           HG2      LYS  15 -11.229  -4.341  -1.619
  126    HG3  LYS  15           HG1      LYS  15 -12.129  -2.934  -1.050
  127    HD2  LYS  15           HD2      LYS  15 -10.066  -1.627  -0.925
  128    HD3  LYS  15           HD1      LYS  15  -9.121  -3.039  -1.403
  129    HE2  LYS  15           HE2      LYS  15  -9.504  -1.621  -3.348
  130    HE3  LYS  15           HE1      LYS  15 -10.384  -3.136  -3.529
  131    HZ1  LYS  15           HZ1      LYS  15 -12.399  -2.117  -3.057
  132    HZ2  LYS  15           HZ2      LYS  15 -11.610  -0.969  -4.028
  133    HZ3  LYS  15           HZ3      LYS  15 -11.673  -0.759  -2.343
  134    H    VAL  16           HN       VAL  16 -11.560  -6.882   2.140
  135    HA   VAL  16           HA       VAL  16 -11.296  -8.463  -0.268
  136    HB   VAL  16           HB       VAL  16 -11.263  -9.213   2.665
  137   HG11  VAL  16          HG11      VAL  16 -10.188 -11.342   1.688
  138   HG12  VAL  16          HG12      VAL  16 -10.881 -10.841   0.145
  139   HG13  VAL  16          HG13      VAL  16 -11.936 -11.184   1.516
  140   HG21  VAL  16          HG21      VAL  16  -9.001  -9.139   0.652
  141   HG22  VAL  16          HG22      VAL  16  -8.880  -9.300   2.404
  142   HG23  VAL  16          HG23      VAL  16  -9.396  -7.772   1.693
  143    H    PHE  17           HN       PHE  17 -12.794  -9.747  -1.188
  144    HA   PHE  17           HA       PHE  17 -15.521  -9.670  -0.122
  145    HB2  PHE  17           HB2      PHE  17 -14.436 -10.793  -2.717
  146    HB3  PHE  17           HB1      PHE  17 -16.141 -10.644  -2.292
  147    HD1  PHE  17           HD2      PHE  17 -17.181  -8.407  -2.019
  148    HD2  PHE  17           HD1      PHE  17 -13.135  -8.872  -3.385
  149    HE1  PHE  17           HE2      PHE  17 -17.185  -6.063  -2.827
  150    HE2  PHE  17           HE1      PHE  17 -13.138  -6.528  -4.193
  151    HZ   PHE  17           HZ       PHE  17 -15.164  -5.123  -3.914
  152    H    ALA  18           HN       ALA  18 -16.192 -11.219   1.196
  153    HA   ALA  18           HA       ALA  18 -16.102 -13.959   0.626
  154    HB1  ALA  18           HB1      ALA  18 -13.867 -12.940   2.366
  155    HB2  ALA  18           HB2      ALA  18 -13.796 -14.105   1.045
  156    HB3  ALA  18           HB3      ALA  18 -14.507 -14.570   2.589
  157    H    LYS  19           HN       LYS  19 -18.250 -12.830   1.294
  158    HA   LYS  19           HA       LYS  19 -18.620 -12.467   4.126
  159    HB2  LYS  19           HB2      LYS  19 -19.907 -11.317   2.235
  160    HB3  LYS  19           HB1      LYS  19 -20.836 -12.815   2.131
  161    HG2  LYS  19           HG2      LYS  19 -22.158 -11.883   3.770
  162    HG3  LYS  19           HG1      LYS  19 -20.866 -12.350   4.870
  163    HD2  LYS  19           HD2      LYS  19 -20.988  -9.676   3.448
  164    HD3  LYS  19           HD1      LYS  19 -21.601  -9.945   5.074
  165    HE2  LYS  19           HE2      LYS  19 -19.424  -9.095   5.412
  166    HE3  LYS  19           HE1      LYS  19 -19.235 -10.835   5.617
  167    HZ1  LYS  19           HZ1      LYS  19 -18.475 -10.988   3.331
  168    HZ2  LYS  19           HZ2      LYS  19 -17.519  -9.873   4.183
  169    HZ3  LYS  19           HZ3      LYS  19 -18.716  -9.330   3.107
  170    HA   PRO  20           HA       PRO  20 -19.314 -16.917   4.632
  171    HB2  PRO  20           HB2      PRO  20 -19.345 -16.978   7.359
  172    HB3  PRO  20           HB1      PRO  20 -17.844 -16.829   6.422
  173    HG2  PRO  20           HG2      PRO  20 -19.401 -14.725   7.851
  174    HG3  PRO  20           HG1      PRO  20 -17.645 -14.935   7.716
  175    HD2  PRO  20           HD2      PRO  20 -19.106 -13.142   6.193
  176    HD3  PRO  20           HD1      PRO  20 -17.541 -13.819   5.689
  177    H    ILE  21           HN       ILE  21 -20.988 -18.291   5.611
  178    HA   ILE  21           HA       ILE  21 -23.591 -17.330   5.161
  179    HB   ILE  21           HB       ILE  21 -22.893 -19.696   6.901
  180   HG12  ILE  21          HG12      ILE  21 -21.530 -19.902   4.914
  181   HG13  ILE  21          HG11      ILE  21 -22.912 -20.984   4.731
  182   HG21  ILE  21          HG21      ILE  21 -24.988 -20.586   6.002
  183   HG22  ILE  21          HG22      ILE  21 -25.176 -19.162   4.978
  184   HG23  ILE  21          HG23      ILE  21 -25.278 -19.007   6.732
  185   HD11  ILE  21          HD11      ILE  21 -24.042 -18.994   3.501
  186   HD12  ILE  21          HD12      ILE  21 -22.782 -19.880   2.644
  187   HD13  ILE  21          HD13      ILE  21 -22.414 -18.325   3.391
  188    H    GLY  22           HN       GLY  22 -25.222 -16.695   6.535
  189    HA2  GLY  22           HA2      GLY  22 -26.249 -16.124   8.560
  190    HA3  GLY  22           HA1      GLY  22 -24.758 -16.517   9.410
  191    H    ALA  23           HN       ALA  23 -24.090 -14.745  10.448
  192    HA   ALA  23           HA       ALA  23 -23.351 -12.388   8.980
  193    HB1  ALA  23           HB1      ALA  23 -24.801 -10.834  10.285
  194    HB2  ALA  23           HB2      ALA  23 -25.662 -12.233  10.928
  195    HB3  ALA  23           HB3      ALA  23 -25.715 -11.882   9.200
  196    H    SER  24           HN       SER  24 -21.797 -14.091  10.429
  197    HA   SER  24           HA       SER  24 -21.455 -13.149  13.142
  198    HB2  SER  24           HB2      SER  24 -19.874 -15.025  11.382
  199    HB3  SER  24           HB1      SER  24 -19.366 -14.591  13.011
  200    HG   SER  24           HG       SER  24 -21.525 -15.294  13.663
  201    H    TYR  25           HN       TYR  25 -20.446 -12.140  10.048
  202    HA   TYR  25           HA       TYR  25 -17.927 -10.988  10.739
  203    HB2  TYR  25           HB2      TYR  25 -18.520 -11.497   8.412
  204    HB3  TYR  25           HB1      TYR  25 -19.822 -10.309   8.478
  205    HD1  TYR  25           HD1      TYR  25 -16.140 -10.756   8.638
  206    HD2  TYR  25           HD2      TYR  25 -19.381  -7.958   8.288
  207    HE1  TYR  25           HE1      TYR  25 -14.528  -8.962   8.055
  208    HE2  TYR  25           HE2      TYR  25 -17.769  -6.165   7.705
  209    HH   TYR  25           HH       TYR  25 -14.387  -6.537   8.094
  210    H    GLN  26           HN       GLN  26 -21.251  -9.787  10.631
  211    HA   GLN  26           HA       GLN  26 -20.663  -7.064  11.097
  212    HB2  GLN  26           HB2      GLN  26 -22.883  -8.051  10.335
  213    HB3  GLN  26           HB1      GLN  26 -23.156  -8.505  12.015
  214    HG2  GLN  26           HG2      GLN  26 -22.495  -5.664  11.203
  215    HG3  GLN  26           HG1      GLN  26 -24.150  -6.264  11.280
  216   HE21  GLN  26          HE21      GLN  26 -24.514  -7.575  13.524
  217   HE22  GLN  26          HE22      GLN  26 -23.964  -6.745  14.898
  218    H    GLY  27           HN       GLY  27 -21.152  -9.801  13.266
  219    HA2  GLY  27           HA2      GLY  27 -21.366  -8.410  15.696
  220    HA3  GLY  27           HA1      GLY  27 -20.764 -10.056  15.520
  221    H    ILE  28           HN       ILE  28 -18.607  -9.157  13.689
  222    HA   ILE  28           HA       ILE  28 -16.584  -8.722  15.645
  223    HB   ILE  28           HB       ILE  28 -16.428  -8.433  12.636
  224   HG12  ILE  28          HG12      ILE  28 -15.738 -10.799  14.405
  225   HG13  ILE  28          HG11      ILE  28 -17.241 -10.661  13.492
  226   HG21  ILE  28          HG21      ILE  28 -14.317  -8.783  14.788
  227   HG22  ILE  28          HG22      ILE  28 -14.529  -7.381  13.740
  228   HG23  ILE  28          HG23      ILE  28 -14.001  -8.918  13.058
  229   HD11  ILE  28          HD11      ILE  28 -15.786 -10.321  11.417
  230   HD12  ILE  28          HD12      ILE  28 -15.765 -11.938  12.116
  231   HD13  ILE  28          HD13      ILE  28 -14.422 -10.834  12.411
  232    H    LEU  29           HN       LEU  29 -18.565  -6.622  13.731
  233    HA   LEU  29           HA       LEU  29 -16.842  -4.293  14.148
  234    HB2  LEU  29           HB2      LEU  29 -19.485  -4.686  12.743
  235    HB3  LEU  29           HB1      LEU  29 -18.697  -3.115  12.904
  236    HG   LEU  29           HG       LEU  29 -17.372  -5.552  11.677
  237   HD11  LEU  29          HD11      LEU  29 -19.329  -4.845  10.348
  238   HD12  LEU  29          HD12      LEU  29 -17.821  -4.518   9.496
  239   HD13  LEU  29          HD13      LEU  29 -18.688  -3.202  10.287
  240   HD21  LEU  29          HD21      LEU  29 -15.588  -4.170  12.210
  241   HD22  LEU  29          HD22      LEU  29 -16.561  -2.706  12.131
  242   HD23  LEU  29          HD23      LEU  29 -16.014  -3.480  10.645
  243    H    ASP  30           HN       ASP  30 -19.985  -5.542  15.185
  244    HA   ASP  30           HA       ASP  30 -20.793  -3.300  16.682
  245    HB2  ASP  30           HB2      ASP  30 -22.315  -5.130  16.081
  246    HB3  ASP  30           HB1      ASP  30 -21.426  -6.221  17.142
  247    H    GLN  31           HN       GLN  31 -18.948  -6.190  17.617
  248    HA   GLN  31           HA       GLN  31 -18.737  -5.551  20.366
  249    HB2  GLN  31           HB2      GLN  31 -17.227  -7.359  18.497
  250    HB3  GLN  31           HB1      GLN  31 -16.626  -7.087  20.133
  251    HG2  GLN  31           HG2      GLN  31 -18.071  -9.067  20.076
  252    HG3  GLN  31           HG1      GLN  31 -18.807  -7.792  21.047
  253   HE21  GLN  31          HE21      GLN  31 -19.400  -9.952  18.483
  254   HE22  GLN  31          HE22      GLN  31 -20.797  -9.209  17.867
  255    H    LEU  32           HN       LEU  32 -16.819  -4.665  17.556
  256    HA   LEU  32           HA       LEU  32 -14.573  -3.633  18.896
  257    HB2  LEU  32           HB2      LEU  32 -15.828  -3.159  16.214
  258    HB3  LEU  32           HB1      LEU  32 -14.515  -2.107  16.739
  259    HG   LEU  32           HG       LEU  32 -14.353  -5.140  16.715
  260   HD11  LEU  32          HD11      LEU  32 -12.816  -4.674  14.703
  261   HD12  LEU  32          HD12      LEU  32 -13.578  -3.084  14.641
  262   HD13  LEU  32          HD13      LEU  32 -14.551  -4.540  14.432
  263   HD21  LEU  32          HD21      LEU  32 -12.605  -4.581  18.115
  264   HD22  LEU  32          HD22      LEU  32 -12.491  -2.932  17.501
  265   HD23  LEU  32          HD23      LEU  32 -11.783  -4.261  16.591
  266    H    ASP  33           HN       ASP  33 -17.746  -2.287  18.271
  267    HA   ASP  33           HA       ASP  33 -17.051   0.381  19.041
  268    HB2  ASP  33           HB2      ASP  33 -19.680  -1.061  18.765
  269    HB3  ASP  33           HB1      ASP  33 -19.558   0.634  19.234
  270    H    LEU  34           HN       LEU  34 -18.696  -2.310  20.681
  271    HA   LEU  34           HA       LEU  34 -19.072  -0.972  23.154
  272    HB2  LEU  34           HB2      LEU  34 -19.201  -3.822  22.235
  273    HB3  LEU  34           HB1      LEU  34 -19.190  -3.496  23.969
  274    HG   LEU  34           HG       LEU  34 -21.124  -1.999  23.707
  275   HD11  LEU  34          HD11      LEU  34 -20.917  -2.806  20.796
  276   HD12  LEU  34          HD12      LEU  34 -20.739  -1.181  21.457
  277   HD13  LEU  34          HD13      LEU  34 -22.308  -1.983  21.497
  278   HD21  LEU  34          HD21      LEU  34 -21.388  -4.772  22.516
  279   HD22  LEU  34          HD22      LEU  34 -22.774  -3.775  22.958
  280   HD23  LEU  34          HD23      LEU  34 -21.635  -4.299  24.197
  281    H    VAL  35           HN       VAL  35 -16.516  -3.138  21.995
  282    HA   VAL  35           HA       VAL  35 -15.147  -3.528  24.366
  283    HB   VAL  35           HB       VAL  35 -14.698  -4.413  21.930
  284   HG11  VAL  35          HG11      VAL  35 -12.509  -2.337  22.018
  285   HG12  VAL  35          HG12      VAL  35 -14.052  -1.967  21.269
  286   HG13  VAL  35          HG13      VAL  35 -13.078  -3.293  20.648
  287   HG21  VAL  35          HG21      VAL  35 -12.412  -5.058  22.613
  288   HG22  VAL  35          HG22      VAL  35 -13.543  -5.206  23.959
  289   HG23  VAL  35          HG23      VAL  35 -12.445  -3.829  23.879
  290    H    HIS  36           HN       HIS  36 -15.415  -0.669  22.422
  291    HA   HIS  36           HA       HIS  36 -13.136   0.674  23.588
  292    HB2  HIS  36           HB2      HIS  36 -13.868   1.185  21.296
  293    HB3  HIS  36           HB1      HIS  36 -15.414   1.762  21.919
  294    HD2  HIS  36           HD2      HIS  36 -15.370   4.466  22.464
  295    HE1  HIS  36           HE1      HIS  36 -11.197   4.923  22.922
  296    HE2  HIS  36           HE2      HIS  36 -13.421   6.150  22.898
  297    H    GLN  37           HN       GLN  37 -16.667   0.834  23.905
  298    HA   GLN  37           HA       GLN  37 -16.505   2.835  26.009
  299    HB2  GLN  37           HB2      GLN  37 -18.823   1.299  24.817
  300    HB3  GLN  37           HB1      GLN  37 -18.990   2.515  26.084
  301    HG2  GLN  37           HG2      GLN  37 -17.997   4.214  24.634
  302    HG3  GLN  37           HG1      GLN  37 -17.724   3.011  23.376
  303   HE21  GLN  37          HE21      GLN  37 -19.556   5.511  23.527
  304   HE22  GLN  37          HE22      GLN  37 -21.069   4.920  23.038
  305    H    ALA  38           HN       ALA  38 -16.337  -0.551  25.784
  306    HA   ALA  38           HA       ALA  38 -17.517  -1.182  28.333
  307    HB1  ALA  38           HB1      ALA  38 -17.533  -2.959  26.784
  308    HB2  ALA  38           HB2      ALA  38 -16.255  -3.393  27.921
  309    HB3  ALA  38           HB3      ALA  38 -15.845  -2.704  26.357
  310    H    LYS  39           HN       LYS  39 -16.265  -2.205  30.082
  311    HA   LYS  39           HA       LYS  39 -13.453  -1.695  30.298
  312    HB2  LYS  39           HB2      LYS  39 -14.540   0.588  30.657
  313    HB3  LYS  39           HB1      LYS  39 -15.204  -0.080  32.147
  314    HG2  LYS  39           HG2      LYS  39 -13.214   0.827  32.953
  315    HG3  LYS  39           HG1      LYS  39 -12.680  -0.808  32.575
  316    HD2  LYS  39           HD2      LYS  39 -11.846  -0.036  30.385
  317    HD3  LYS  39           HD1      LYS  39 -12.406   1.596  30.745
  318    HE2  LYS  39           HE2      LYS  39 -10.901   1.692  32.692
  319    HE3  LYS  39           HE1      LYS  39 -10.344   0.054  32.345
  320    HZ1  LYS  39           HZ1      LYS  39  -8.766   1.291  31.279
  321    HZ2  LYS  39           HZ2      LYS  39  -9.842   2.542  30.873
  322    HZ3  LYS  39           HZ3      LYS  39  -9.875   1.076  30.015
  323    H    GLY  40           HN       GLY  40 -12.537  -2.889  31.911
  324    HA2  GLY  40           HA2      GLY  40 -12.386  -4.256  33.782
  325    HA3  GLY  40           HA1      GLY  40 -14.062  -3.867  34.156
  326    H    ARG  41           HN       ARG  41 -15.251  -5.658  34.228
  327    HA   ARG  41           HA       ARG  41 -14.537  -8.125  33.067
  328    HB2  ARG  41           HB2      ARG  41 -16.745  -8.880  33.728
  329    HB3  ARG  41           HB1      ARG  41 -16.085  -7.854  35.001
  330    HG2  ARG  41           HG2      ARG  41 -17.338  -5.915  33.990
  331    HG3  ARG  41           HG1      ARG  41 -18.112  -7.056  32.890
  332    HD2  ARG  41           HD2      ARG  41 -18.217  -7.234  35.909
  333    HD3  ARG  41           HD1      ARG  41 -19.498  -6.576  34.896
  334    HE   ARG  41           HE       ARG  41 -18.806  -9.387  35.210
  335   HH11  ARG  41          HH21      ARG  41 -20.404  -6.939  33.361
  336   HH12  ARG  41          HH22      ARG  41 -21.499  -8.038  32.592
  337   HH21  ARG  41          HH11      ARG  41 -20.239 -10.838  34.206
  338   HH22  ARG  41          HH12      ARG  41 -21.406 -10.247  33.070
  339    H    ASP  42           HN       ASP  42 -16.597  -5.495  31.943
  340    HA   ASP  42           HA       ASP  42 -17.789  -6.834  29.764
  341    HB2  ASP  42           HB2      ASP  42 -17.195  -3.916  30.276
  342    HB3  ASP  42           HB1      ASP  42 -18.074  -4.480  28.855
  343    H    GLN  43           HN       GLN  43 -14.755  -5.030  30.065
  344    HA   GLN  43           HA       GLN  43 -14.094  -5.078  27.303
  345    HB2  GLN  43           HB2      GLN  43 -12.809  -4.302  29.830
  346    HB3  GLN  43           HB1      GLN  43 -11.662  -4.972  28.677
  347    HG2  GLN  43           HG2      GLN  43 -13.651  -2.834  27.910
  348    HG3  GLN  43           HG1      GLN  43 -12.059  -2.444  28.559
  349   HE21  GLN  43          HE21      GLN  43 -11.684  -1.455  26.336
  350   HE22  GLN  43          HE22      GLN  43 -11.207  -2.483  25.073
  351    H    ILE  44           HN       ILE  44 -13.263  -7.195  30.015
  352    HA   ILE  44           HA       ILE  44 -11.552  -8.916  28.562
  353    HB   ILE  44           HB       ILE  44 -13.170  -9.374  31.077
  354   HG12  ILE  44          HG12      ILE  44 -10.192  -8.952  30.710
  355   HG13  ILE  44          HG11      ILE  44 -11.315  -7.628  31.045
  356   HG21  ILE  44          HG21      ILE  44 -12.740 -11.548  30.189
  357   HG22  ILE  44          HG22      ILE  44 -11.465 -11.269  31.374
  358   HG23  ILE  44          HG23      ILE  44 -11.123 -11.088  29.654
  359   HD11  ILE  44          HD11      ILE  44 -10.911 -10.081  32.782
  360   HD12  ILE  44          HD12      ILE  44 -12.039  -8.767  33.112
  361   HD13  ILE  44          HD13      ILE  44 -10.302  -8.464  33.132
  362    H    ALA  45           HN       ALA  45 -15.016  -9.056  29.312
  363    HA   ALA  45           HA       ALA  45 -15.558 -11.574  28.215
  364    HB1  ALA  45           HB1      ALA  45 -17.855 -10.925  28.219
  365    HB2  ALA  45           HB2      ALA  45 -17.440  -9.213  28.134
  366    HB3  ALA  45           HB3      ALA  45 -17.112 -10.128  29.606
  367    H    ALA  46           HN       ALA  46 -15.474  -8.368  26.696
  368    HA   ALA  46           HA       ALA  46 -16.413  -9.161  24.153
  369    HB1  ALA  46           HB1      ALA  46 -14.732  -6.847  25.108
  370    HB2  ALA  46           HB2      ALA  46 -16.432  -6.841  24.639
  371    HB3  ALA  46           HB3      ALA  46 -15.181  -7.044  23.413
  372    H    SER  47           HN       SER  47 -13.178  -8.962  25.561
  373    HA   SER  47           HA       SER  47 -11.739  -9.511  23.215
  374    HB2  SER  47           HB2      SER  47  -9.879 -10.051  24.663
  375    HB3  SER  47           HB1      SER  47 -10.738  -8.669  25.337
  376    HG   SER  47           HG       SER  47 -10.590 -11.317  26.218
  377    H    PHE  48           HN       PHE  48 -13.411 -11.587  25.472
  378    HA   PHE  48           HA       PHE  48 -12.252 -14.057  24.812
  379    HB2  PHE  48           HB2      PHE  48 -13.804 -13.640  26.726
  380    HB3  PHE  48           HB1      PHE  48 -15.135 -13.551  25.573
  381    HD1  PHE  48           HD2      PHE  48 -12.296 -15.773  26.589
  382    HD2  PHE  48           HD1      PHE  48 -16.259 -15.522  24.947
  383    HE1  PHE  48           HE2      PHE  48 -12.456 -18.247  26.597
  384    HE2  PHE  48           HE1      PHE  48 -16.417 -17.998  24.959
  385    HZ   PHE  48           HZ       PHE  48 -14.515 -19.359  25.784
  386    H    GLU  49           HN       GLU  49 -15.030 -12.353  23.386
  387    HA   GLU  49           HA       GLU  49 -15.676 -14.390  21.516
  388    HB2  GLU  49           HB2      GLU  49 -16.254 -11.427  21.619
  389    HB3  GLU  49           HB1      GLU  49 -16.846 -12.459  20.318
  390    HG2  GLU  49           HG2      GLU  49 -18.611 -12.398  21.906
  391    HG3  GLU  49           HG1      GLU  49 -17.827 -13.952  22.172
  392    H    LEU  50           HN       LEU  50 -13.896 -11.323  21.111
  393    HA   LEU  50           HA       LEU  50 -13.195 -11.756  18.413
  394    HB2  LEU  50           HB2      LEU  50 -12.129 -10.029  20.622
  395    HB3  LEU  50           HB1      LEU  50 -11.259 -10.116  19.090
  396    HG   LEU  50           HG       LEU  50 -12.950  -8.246  19.233
  397   HD11  LEU  50          HD11      LEU  50 -13.427  -8.366  16.982
  398   HD12  LEU  50          HD12      LEU  50 -13.983 -10.038  17.067
  399   HD13  LEU  50          HD13      LEU  50 -12.255  -9.681  17.053
  400   HD21  LEU  50          HD21      LEU  50 -15.021 -10.446  19.010
  401   HD22  LEU  50          HD22      LEU  50 -15.287  -8.726  19.262
  402   HD23  LEU  50          HD23      LEU  50 -14.590  -9.701  20.551
  403    H    ASN  51           HN       ASN  51 -11.511 -12.543  21.432
  404    HA   ASN  51           HA       ASN  51  -9.127 -13.462  20.263
  405    HB2  ASN  51           HB2      ASN  51 -10.517 -14.192  22.842
  406    HB3  ASN  51           HB1      ASN  51  -8.915 -14.785  22.408
  407   HD21  ASN  51          HD21      ASN  51  -9.185 -13.160  24.697
  408   HD22  ASN  51          HD22      ASN  51  -8.486 -11.643  24.393
  409    H    LYS  52           HN       LYS  52 -12.109 -15.182  21.153
  410    HA   LYS  52           HA       LYS  52 -11.211 -17.745  20.312
  411    HB2  LYS  52           HB2      LYS  52 -13.127 -17.317  21.860
  412    HB3  LYS  52           HB1      LYS  52 -14.064 -16.760  20.473
  413    HG2  LYS  52           HG2      LYS  52 -13.592 -18.996  19.375
  414    HG3  LYS  52           HG1      LYS  52 -12.896 -19.525  20.904
  415    HD2  LYS  52           HD2      LYS  52 -15.715 -18.459  20.601
  416    HD3  LYS  52           HD1      LYS  52 -15.305 -20.173  20.614
  417    HE2  LYS  52           HE2      LYS  52 -14.145 -19.694  22.870
  418    HE3  LYS  52           HE1      LYS  52 -15.023 -18.165  22.850
  419    HZ1  LYS  52           HZ1      LYS  52 -16.123 -20.123  23.994
  420    HZ2  LYS  52           HZ2      LYS  52 -16.398 -20.745  22.437
  421    HZ3  LYS  52           HZ3      LYS  52 -17.064 -19.248  22.887
  422    H    LYS  53           HN       LYS  53 -13.236 -15.269  18.748
  423    HA   LYS  53           HA       LYS  53 -13.718 -16.695  16.363
  424    HB2  LYS  53           HB2      LYS  53 -13.682 -13.737  16.978
  425    HB3  LYS  53           HB1      LYS  53 -14.159 -14.384  15.411
  426    HG2  LYS  53           HG2      LYS  53 -15.935 -15.691  16.460
  427    HG3  LYS  53           HG1      LYS  53 -15.445 -15.121  18.054
  428    HD2  LYS  53           HD2      LYS  53 -15.897 -12.781  17.327
  429    HD3  LYS  53           HD1      LYS  53 -16.463 -13.399  15.774
  430    HE2  LYS  53           HE2      LYS  53 -18.187 -14.726  16.944
  431    HE3  LYS  53           HE1      LYS  53 -17.635 -14.064  18.483
  432    HZ1  LYS  53           HZ1      LYS  53 -18.115 -11.991  16.609
  433    HZ2  LYS  53           HZ2      LYS  53 -18.802 -12.230  18.144
  434    HZ3  LYS  53           HZ3      LYS  53 -19.497 -12.960  16.776
  435    H    ILE  54           HN       ILE  54 -11.234 -14.270  17.174
  436    HA   ILE  54           HA       ILE  54  -9.967 -14.353  14.627
  437    HB   ILE  54           HB       ILE  54  -8.988 -13.470  17.350
  438   HG12  ILE  54          HG12      ILE  54  -9.733 -11.840  14.905
  439   HG13  ILE  54          HG11      ILE  54 -10.876 -12.217  16.194
  440   HG21  ILE  54          HG21      ILE  54  -7.250 -12.243  15.855
  441   HG22  ILE  54          HG22      ILE  54  -7.649 -13.459  14.645
  442   HG23  ILE  54          HG23      ILE  54  -6.985 -13.952  16.202
  443   HD11  ILE  54          HD11      ILE  54  -8.226 -10.791  16.594
  444   HD12  ILE  54          HD12      ILE  54  -9.439 -11.105  17.836
  445   HD13  ILE  54          HD13      ILE  54  -9.797  -9.992  16.516
  446    H    ASN  55           HN       ASN  55  -9.296 -15.967  17.727
  447    HA   ASN  55           HA       ASN  55  -6.960 -17.308  16.891
  448    HB2  ASN  55           HB2      ASN  55  -7.543 -17.093  19.248
  449    HB3  ASN  55           HB1      ASN  55  -8.989 -18.071  19.004
  450   HD21  ASN  55          HD21      ASN  55  -5.406 -18.238  18.788
  451   HD22  ASN  55          HD22      ASN  55  -5.320 -19.911  19.061
  452    H    ASP  56           HN       ASP  56 -10.364 -18.314  16.942
  453    HA   ASP  56           HA       ASP  56  -9.923 -20.925  15.920
  454    HB2  ASP  56           HB2      ASP  56 -12.003 -20.089  17.107
  455    HB3  ASP  56           HB1      ASP  56 -12.443 -19.293  15.596
  456    H    TYR  57           HN       TYR  57 -10.588 -17.810  14.404
  457    HA   TYR  57           HA       TYR  57 -11.100 -18.685  11.795
  458    HB2  TYR  57           HB2      TYR  57 -11.445 -16.363  12.546
  459    HB3  TYR  57           HB1      TYR  57  -9.699 -16.149  12.676
  460    HD1  TYR  57           HD1      TYR  57 -12.379 -17.110  10.254
  461    HD2  TYR  57           HD2      TYR  57  -8.443 -15.472  10.790
  462    HE1  TYR  57           HE1      TYR  57 -12.281 -16.555   7.839
  463    HE2  TYR  57           HE2      TYR  57  -8.349 -14.916   8.374
  464    HH   TYR  57           HH       TYR  57  -9.499 -14.814   6.467
  465    H    ILE  58           HN       ILE  58  -8.026 -17.919  13.402
  466    HA   ILE  58           HA       ILE  58  -6.360 -18.273  11.148
  467    HB   ILE  58           HB       ILE  58  -5.813 -18.582  14.108
  468   HG12  ILE  58          HG12      ILE  58  -4.980 -16.381  12.206
  469   HG13  ILE  58          HG11      ILE  58  -6.499 -16.320  13.111
  470   HG21  ILE  58          HG21      ILE  58  -3.977 -18.673  11.705
  471   HG22  ILE  58          HG22      ILE  58  -4.099 -19.838  13.023
  472   HG23  ILE  58          HG23      ILE  58  -3.392 -18.248  13.314
  473   HD11  ILE  58          HD11      ILE  58  -4.559 -15.145  14.234
  474   HD12  ILE  58          HD12      ILE  58  -3.792 -16.723  14.413
  475   HD13  ILE  58          HD13      ILE  58  -5.326 -16.392  15.218
  476    H    ALA  59           HN       ALA  59  -7.406 -20.524  13.698
  477    HA   ALA  59           HA       ALA  59  -5.896 -22.745  12.828
  478    HB1  ALA  59           HB1      ALA  59  -8.490 -22.584  14.372
  479    HB2  ALA  59           HB2      ALA  59  -6.862 -22.749  15.032
  480    HB3  ALA  59           HB3      ALA  59  -7.584 -24.077  14.122
  481    H    GLU  60           HN       GLU  60  -9.117 -21.584  11.966
  482    HA   GLU  60           HA       GLU  60  -9.810 -23.847  10.366
  483    HB2  GLU  60           HB2      GLU  60 -10.896 -21.030  10.488
  484    HB3  GLU  60           HB1      GLU  60 -11.581 -22.295   9.467
  485    HG2  GLU  60           HG2      GLU  60 -12.002 -23.696  11.422
  486    HG3  GLU  60           HG1      GLU  60 -11.239 -22.505  12.470
  487    H    HIS  61           HN       HIS  61  -8.398 -20.669   9.677
  488    HA   HIS  61           HA       HIS  61  -7.552 -21.675   7.030
  489    HB2  HIS  61           HB2      HIS  61  -8.526 -18.849   7.378
  490    HB3  HIS  61           HB1      HIS  61  -8.306 -19.773   5.890
  491    HD2  HIS  61           HD2      HIS  61 -11.042 -19.156   8.565
  492    HE1  HIS  61           HE1      HIS  61 -12.488 -22.157   5.971
  493    HE2  HIS  61           HE2      HIS  61 -13.114 -20.580   7.860
  494    HA   PRO  62           HA       PRO  62  -4.163 -19.554   9.425
  495    HB2  PRO  62           HB2      PRO  62  -2.405 -21.651   9.502
  496    HB3  PRO  62           HB1      PRO  62  -3.671 -21.410  10.720
  497    HG2  PRO  62           HG2      PRO  62  -3.598 -23.295   8.415
  498    HG3  PRO  62           HG1      PRO  62  -4.283 -23.517  10.035
  499    HD2  PRO  62           HD2      PRO  62  -5.779 -22.917   7.769
  500    HD3  PRO  62           HD1      PRO  62  -6.316 -22.599   9.430
  501    H    THR  63           HN       THR  63  -4.488 -21.195   6.434
  502    HA   THR  63           HA       THR  63  -1.902 -20.228   5.408
  503    HB   THR  63           HB       THR  63  -2.315 -21.662   3.507
  504    HG1  THR  63           HG1      THR  63  -4.236 -22.537   3.125
  505   HG21  THR  63          HG21      THR  63  -3.090 -23.047   6.090
  506   HG22  THR  63          HG22      THR  63  -1.441 -22.726   5.555
  507   HG23  THR  63          HG23      THR  63  -2.462 -23.841   4.647
  508    H    SER  64           HN       SER  64  -4.871 -18.976   5.831
  509    HA   SER  64           HA       SER  64  -5.616 -17.955   3.315
  510    HB2  SER  64           HB2      SER  64  -7.092 -17.891   5.282
  511    HB3  SER  64           HB1      SER  64  -6.020 -16.728   6.052
  512    HG   SER  64           HG       SER  64  -7.382 -15.414   5.059
  513    H    GLY  65           HN       GLY  65  -3.509 -16.632   5.849
  514    HA2  GLY  65           HA2      GLY  65  -1.625 -15.271   5.528
  515    HA3  GLY  65           HA1      GLY  65  -2.124 -14.999   3.861
  516    H    ARG  66           HN       ARG  66  -4.892 -14.351   4.698
  517    HA   ARG  66           HA       ARG  66  -4.469 -11.528   5.150
  518    HB2  ARG  66           HB2      ARG  66  -6.257 -12.628   3.646
  519    HB3  ARG  66           HB1      ARG  66  -7.146 -12.908   5.141
  520    HG2  ARG  66           HG2      ARG  66  -7.997 -10.817   4.575
  521    HG3  ARG  66           HG1      ARG  66  -6.614 -10.315   5.545
  522    HD2  ARG  66           HD2      ARG  66  -6.658  -9.050   3.451
  523    HD3  ARG  66           HD1      ARG  66  -5.263 -10.126   3.461
  524    HE   ARG  66           HE       ARG  66  -7.542 -11.360   2.240
  525   HH11  ARG  66          HH21      ARG  66  -4.970  -9.093   1.795
  526   HH12  ARG  66          HH22      ARG  66  -4.907  -9.291   0.076
  527   HH21  ARG  66          HH11      ARG  66  -7.465 -11.631  -0.013
  528   HH22  ARG  66          HH12      ARG  66  -6.321 -10.727  -0.949
  529    H    ASN  67           HN       ASN  67  -5.073 -14.280   7.087
  530    HA   ASN  67           HA       ASN  67  -6.520 -13.129   9.217
  531    HB2  ASN  67           HB2      ASN  67  -5.824 -15.042  10.502
  532    HB3  ASN  67           HB1      ASN  67  -6.157 -15.577   8.858
  533   HD21  ASN  67          HD21      ASN  67  -4.564 -17.339  10.023
  534   HD22  ASN  67          HD22      ASN  67  -2.927 -17.127   9.629
  535    H    GLN  68           HN       GLN  68  -3.300 -12.689   8.180
  536    HA   GLN  68           HA       GLN  68  -1.925 -12.196  10.558
  537    HB2  GLN  68           HB2      GLN  68  -1.634 -11.357   7.712
  538    HB3  GLN  68           HB1      GLN  68  -0.767 -10.381   8.897
  539    HG2  GLN  68           HG2      GLN  68   0.635 -12.234   8.061
  540    HG3  GLN  68           HG1      GLN  68   0.313 -12.405   9.785
  541   HE21  GLN  68          HE21      GLN  68   0.001 -14.591  10.214
  542   HE22  GLN  68          HE22      GLN  68  -0.932 -15.642   9.261
  543    H    ALA  69           HN       ALA  69  -4.429 -10.384   9.019
  544    HA   ALA  69           HA       ALA  69  -3.844  -7.924  10.456
  545    HB1  ALA  69           HB1      ALA  69  -4.813  -7.623   8.305
  546    HB2  ALA  69           HB2      ALA  69  -6.084  -7.237   9.466
  547    HB3  ALA  69           HB3      ALA  69  -6.089  -8.794   8.637
  548    H    LEU  70           HN       LEU  70  -6.247 -10.537  10.575
  549    HA   LEU  70           HA       LEU  70  -7.789  -9.464  12.693
  550    HB2  LEU  70           HB2      LEU  70  -7.444 -12.211  11.517
  551    HB3  LEU  70           HB1      LEU  70  -8.394 -11.997  12.986
  552    HG   LEU  70           HG       LEU  70  -9.813 -10.348  11.842
  553   HD11  LEU  70          HD11      LEU  70  -7.925 -10.920   9.552
  554   HD12  LEU  70          HD12      LEU  70  -8.316  -9.360  10.274
  555   HD13  LEU  70          HD13      LEU  70  -9.521 -10.209   9.306
  556   HD21  LEU  70          HD21      LEU  70 -10.971 -11.904  10.384
  557   HD22  LEU  70          HD22      LEU  70 -10.317 -12.808  11.750
  558   HD23  LEU  70          HD23      LEU  70  -9.508 -12.869  10.183
  559    H    THR  71           HN       THR  71  -5.039 -11.700  12.656
  560    HA   THR  71           HA       THR  71  -4.994 -12.389  15.353
  561    HB   THR  71           HB       THR  71  -3.528 -13.212  13.359
  562    HG1  THR  71           HG1      THR  71  -2.695 -12.852  16.028
  563   HG21  THR  71          HG21      THR  71  -2.551 -10.795  13.179
  564   HG22  THR  71          HG22      THR  71  -1.462 -12.167  12.993
  565   HG23  THR  71          HG23      THR  71  -1.526 -11.290  14.522
  566    H    GLN  72           HN       GLN  72  -4.067  -9.442  13.753
  567    HA   GLN  72           HA       GLN  72  -2.437  -8.338  15.773
  568    HB2  GLN  72           HB2      GLN  72  -2.622  -7.483  13.423
  569    HB3  GLN  72           HB1      GLN  72  -4.203  -6.823  13.842
  570    HG2  GLN  72           HG2      GLN  72  -3.171  -5.492  15.644
  571    HG3  GLN  72           HG1      GLN  72  -1.590  -6.141  15.214
  572   HE21  GLN  72          HE21      GLN  72  -0.544  -4.331  14.300
  573   HE22  GLN  72          HE22      GLN  72  -1.171  -3.428  13.007
  574    H    LEU  73           HN       LEU  73  -5.921  -8.236  15.194
  575    HA   LEU  73           HA       LEU  73  -6.572  -6.392  17.232
  576    HB2  LEU  73           HB2      LEU  73  -8.093  -8.508  15.742
  577    HB3  LEU  73           HB1      LEU  73  -8.857  -7.651  17.080
  578    HG   LEU  73           HG       LEU  73  -7.455  -6.053  14.943
  579   HD11  LEU  73          HD11      LEU  73  -9.598  -5.957  13.682
  580   HD12  LEU  73          HD12      LEU  73 -10.249  -7.215  14.730
  581   HD13  LEU  73          HD13      LEU  73  -8.886  -7.568  13.668
  582   HD21  LEU  73          HD21      LEU  73  -8.315  -4.908  16.954
  583   HD22  LEU  73          HD22      LEU  73  -9.910  -5.599  16.671
  584   HD23  LEU  73          HD23      LEU  73  -9.244  -4.426  15.536
  585    H    LYS  74           HN       LYS  74  -6.344  -9.930  17.208
  586    HA   LYS  74           HA       LYS  74  -7.352 -10.425  19.769
  587    HB2  LYS  74           HB2      LYS  74  -6.861 -12.190  18.142
  588    HB3  LYS  74           HB1      LYS  74  -5.135 -11.872  18.315
  589    HG2  LYS  74           HG2      LYS  74  -5.179 -12.541  20.641
  590    HG3  LYS  74           HG1      LYS  74  -6.936 -12.666  20.613
  591    HD2  LYS  74           HD2      LYS  74  -6.048 -14.900  20.412
  592    HD3  LYS  74           HD1      LYS  74  -6.711 -14.443  18.844
  593    HE2  LYS  74           HE2      LYS  74  -4.561 -14.076  17.914
  594    HE3  LYS  74           HE1      LYS  74  -3.792 -14.023  19.499
  595    HZ1  LYS  74           HZ1      LYS  74  -5.039 -16.401  18.235
  596    HZ2  LYS  74           HZ2      LYS  74  -4.351 -16.365  19.789
  597    HZ3  LYS  74           HZ3      LYS  74  -3.376 -16.125  18.418
  598    H    GLU  75           HN       GLU  75  -3.940  -9.992  18.804
  599    HA   GLU  75           HA       GLU  75  -2.941 -10.023  21.467
  600    HB2  GLU  75           HB2      GLU  75  -0.866  -9.124  20.452
  601    HB3  GLU  75           HB1      GLU  75  -1.489 -10.527  19.583
  602    HG2  GLU  75           HG2      GLU  75  -2.603  -9.005  17.976
  603    HG3  GLU  75           HG1      GLU  75  -1.889  -7.626  18.808
  604    H    GLN  76           HN       GLN  76  -4.079  -7.476  19.324
  605    HA   GLN  76           HA       GLN  76  -3.085  -5.260  20.749
  606    HB2  GLN  76           HB2      GLN  76  -4.032  -5.112  18.475
  607    HB3  GLN  76           HB1      GLN  76  -5.627  -5.467  19.130
  608    HG2  GLN  76           HG2      GLN  76  -4.022  -3.163  20.225
  609    HG3  GLN  76           HG1      GLN  76  -4.955  -2.970  18.742
  610   HE21  GLN  76          HE21      GLN  76  -7.356  -3.638  18.945
  611   HE22  GLN  76          HE22      GLN  76  -8.127  -3.313  20.422
  612    H    VAL  77           HN       VAL  77  -6.312  -6.811  20.899
  613    HA   VAL  77           HA       VAL  77  -7.338  -5.192  22.952
  614    HB   VAL  77           HB       VAL  77  -7.975  -8.046  22.178
  615   HG11  VAL  77          HG11      VAL  77 -10.170  -7.513  23.372
  616   HG12  VAL  77          HG12      VAL  77  -9.331  -6.141  24.098
  617   HG13  VAL  77          HG13      VAL  77  -8.775  -7.784  24.415
  618   HG21  VAL  77          HG21      VAL  77  -8.353  -6.261  20.462
  619   HG22  VAL  77          HG22      VAL  77  -9.418  -5.440  21.604
  620   HG23  VAL  77          HG23      VAL  77  -9.846  -7.038  20.989
  621    H    THR  78           HN       THR  78  -5.758  -8.385  23.112
  622    HA   THR  78           HA       THR  78  -5.860  -8.643  25.921
  623    HB   THR  78           HB       THR  78  -4.084 -10.339  25.615
  624    HG1  THR  78           HG1      THR  78  -4.044 -10.256  22.931
  625   HG21  THR  78          HG21      THR  78  -5.357 -11.693  23.842
  626   HG22  THR  78          HG22      THR  78  -6.415 -10.289  23.695
  627   HG23  THR  78          HG23      THR  78  -6.287 -11.140  25.235
  628    H    SER  79           HN       SER  79  -3.388  -7.313  23.758
  629    HA   SER  79           HA       SER  79  -1.446  -6.801  25.754
  630    HB2  SER  79           HB2      SER  79  -0.451  -5.280  24.078
  631    HB3  SER  79           HB1      SER  79  -0.879  -6.838  23.376
  632    HG   SER  79           HG       SER  79  -1.797  -4.358  22.791
  633    H    ALA  80           HN       ALA  80  -4.136  -4.895  24.473
  634    HA   ALA  80           HA       ALA  80  -3.514  -2.431  25.651
  635    HB1  ALA  80           HB1      ALA  80  -5.962  -1.983  25.487
  636    HB2  ALA  80           HB2      ALA  80  -6.203  -3.675  25.055
  637    HB3  ALA  80           HB3      ALA  80  -5.271  -2.619  23.995
  638    H    LEU  81           HN       LEU  81  -5.573  -5.059  26.892
  639    HA   LEU  81           HA       LEU  81  -6.047  -3.817  29.412
  640    HB2  LEU  81           HB2      LEU  81  -6.199  -6.761  28.735
  641    HB3  LEU  81           HB1      LEU  81  -7.010  -5.931  30.064
  642    HG   LEU  81           HG       LEU  81  -7.460  -5.360  27.120
  643   HD11  LEU  81          HD11      LEU  81  -9.291  -6.717  29.125
  644   HD12  LEU  81          HD12      LEU  81  -8.322  -7.582  27.931
  645   HD13  LEU  81          HD13      LEU  81  -9.598  -6.484  27.404
  646   HD21  LEU  81          HD21      LEU  81  -8.554  -4.184  29.680
  647   HD22  LEU  81          HD22      LEU  81  -9.527  -4.169  28.209
  648   HD23  LEU  81          HD23      LEU  81  -7.972  -3.349  28.238
  649    H    GLY  82           HN       GLY  82  -3.537  -5.897  28.159
  650    HA2  GLY  82           HA2      GLY  82  -1.511  -6.534  29.042
  651    HA3  GLY  82           HA1      GLY  82  -1.733  -5.271  30.250
  652    H    LEU  83           HN       LEU  83  -4.029  -7.878  29.784
  653    HA   LEU  83           HA       LEU  83  -3.903  -8.623  32.540
  654    HB2  LEU  83           HB2      LEU  83  -5.597 -10.210  32.007
  655    HB3  LEU  83           HB1      LEU  83  -5.929  -8.755  31.070
  656    HG   LEU  83           HG       LEU  83  -4.281 -10.158  29.332
  657   HD11  LEU  83          HD11      LEU  83  -4.494 -12.100  31.014
  658   HD12  LEU  83          HD12      LEU  83  -4.812 -12.460  29.317
  659   HD13  LEU  83          HD13      LEU  83  -6.153 -12.249  30.445
  660   HD21  LEU  83          HD21      LEU  83  -7.299 -10.141  29.593
  661   HD22  LEU  83          HD22      LEU  83  -6.468 -10.824  28.195
  662   HD23  LEU  83          HD23      LEU  83  -6.295  -9.110  28.575
  663    H    GLU  84           HN       GLU  84  -2.211  -9.596  29.712
  664    HA   GLU  84           HA       GLU  84  -0.596 -11.181  29.327
  665    HB2  GLU  84           HB2      GLU  84   0.403 -10.129  31.344
  666    HB3  GLU  84           HB1      GLU  84  -0.450 -11.301  32.349
  667    HG2  GLU  84           HG2      GLU  84   0.716 -13.144  31.232
  668    HG3  GLU  84           HG1      GLU  84   1.538 -12.001  30.170
  669    H    HIS  85           HN       HIS  85  -1.002 -13.150  28.568
  670    HA   HIS  85           HA       HIS  85  -3.147 -14.753  29.169
  671    HB2  HIS  85           HB2      HIS  85  -1.521 -15.034  27.252
  672    HB3  HIS  85           HB1      HIS  85  -0.440 -15.844  28.386
  673    HD2  HIS  85           HD2      HIS  85  -3.617 -16.627  26.310
  674    HE1  HIS  85           HE1      HIS  85  -2.922 -19.958  28.810
  675    HE2  HIS  85           HE2      HIS  85  -4.286 -19.093  26.850
  676    H    HIS  86           HN       HIS  86  -3.434 -16.662  30.408
  677    HA   HIS  86           HA       HIS  86  -1.457 -17.330  32.452
  678    HB2  HIS  86           HB2      HIS  86  -3.193 -17.104  34.263
  679    HB3  HIS  86           HB1      HIS  86  -2.641 -15.570  33.591
  680    HD2  HIS  86           HD2      HIS  86  -5.314 -14.588  34.359
  681    HE1  HIS  86           HE1      HIS  86  -7.222 -16.522  31.127
  682    HE2  HIS  86           HE2      HIS  86  -7.504 -14.775  32.949
  683    H    HIS  87           HN       HIS  87  -1.929 -19.313  33.541
  684    HA   HIS  87           HA       HIS  87  -3.093 -21.280  31.856
  685    HB2  HIS  87           HB2      HIS  87  -2.136 -21.336  34.722
  686    HB3  HIS  87           HB1      HIS  87  -2.780 -22.761  33.907
  687    HD2  HIS  87           HD2      HIS  87  -1.017 -23.971  32.091
  688    HE1  HIS  87           HE1      HIS  87   2.083 -21.123  32.403
  689    HE2  HIS  87           HE2      HIS  87   1.440 -23.380  31.434
  690    H    HIS  88           HN       HIS  88  -4.209 -19.609  34.767
  691    HA   HIS  88           HA       HIS  88  -6.619 -21.147  35.015
  692    HB2  HIS  88           HB2      HIS  88  -5.884 -18.448  36.175
  693    HB3  HIS  88           HB1      HIS  88  -7.259 -19.437  36.668
  694    HD2  HIS  88           HD2      HIS  88  -3.529 -19.086  37.493
  695    HE1  HIS  88           HE1      HIS  88  -4.748 -22.796  39.095
  696    HE2  HIS  88           HE2      HIS  88  -2.876 -21.081  39.046
  697    H    HIS  89           HN       HIS  89  -8.585 -20.800  34.138
  698    HA   HIS  89           HA       HIS  89  -8.860 -19.102  31.883
  699    HB2  HIS  89           HB2      HIS  89 -10.887 -20.605  33.548
  700    HB3  HIS  89           HB1      HIS  89 -11.306 -19.713  32.085
  701    HD2  HIS  89           HD2      HIS  89  -9.861 -23.146  33.067
  702    HE1  HIS  89           HE1      HIS  89  -9.255 -22.729  28.909
  703    HE2  HIS  89           HE2      HIS  89  -9.174 -24.357  30.858
  704    H    HIS  90           HN       HIS  90  -9.995 -18.847  35.237
  705    HA   HIS  90           HA       HIS  90 -10.076 -15.960  35.034
  706    HB2  HIS  90           HB2      HIS  90 -12.440 -15.741  35.639
  707    HB3  HIS  90           HB1      HIS  90 -12.275 -16.581  34.097
  708    HD2  HIS  90           HD2      HIS  90 -13.933 -17.156  37.489
  709    HE1  HIS  90           HE1      HIS  90 -13.710 -20.950  35.652
  710    HE2  HIS  90           HE2      HIS  90 -14.724 -19.643  37.579
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1   1.153  -5.030  23.249
    2    H2   MET   1           HT2      MET   1   0.853  -5.562  21.664
    3    H3   MET   1           HT3      MET   1  -0.398  -4.870  22.582
    4    HA   MET   1           HA       MET   1   0.760  -2.745  22.600
    5    HB2  MET   1           HB2      MET   1   2.702  -2.598  20.923
    6    HB3  MET   1           HB1      MET   1   3.043  -3.397  22.457
    7    HG2  MET   1           HG2      MET   1   2.131  -4.963  20.040
    8    HG3  MET   1           HG1      MET   1   3.832  -4.586  20.302
    9    HE1  MET   1           HE1      MET   1   5.372  -6.069  21.590
   10    HE2  MET   1           HE2      MET   1   4.980  -6.505  23.250
   11    HE3  MET   1           HE3      MET   1   4.866  -4.823  22.740
   12    H    GLY   2           HN       GLY   2   1.064  -1.422  20.392
   13    HA2  GLY   2           HA2      GLY   2   0.256  -0.876  18.284
   14    HA3  GLY   2           HA1      GLY   2  -0.380  -2.512  18.136
   15    H    GLN   3           HN       GLN   3  -1.271  -1.119  21.067
   16    HA   GLN   3           HA       GLN   3  -3.309  -0.467  21.910
   17    HB2  GLN   3           HB2      GLN   3  -3.295   1.038  19.286
   18    HB3  GLN   3           HB1      GLN   3  -4.490   1.293  20.559
   19    HG2  GLN   3           HG2      GLN   3  -2.704   1.878  22.141
   20    HG3  GLN   3           HG1      GLN   3  -1.491   1.587  20.896
   21   HE21  GLN   3          HE21      GLN   3  -1.115   4.039  21.595
   22   HE22  GLN   3          HE22      GLN   3  -1.943   5.188  20.661
   23    H    ILE   4           HN       ILE   4  -5.767  -0.019  20.866
   24    HA   ILE   4           HA       ILE   4  -6.562  -2.682  20.009
   25    HB   ILE   4           HB       ILE   4  -8.157  -0.302  20.811
   26   HG12  ILE   4          HG12      ILE   4  -7.743  -2.931  22.233
   27   HG13  ILE   4          HG11      ILE   4  -6.791  -1.488  22.576
   28   HG21  ILE   4          HG21      ILE   4 -10.027  -2.034  20.932
   29   HG22  ILE   4          HG22      ILE   4  -8.966  -3.088  19.999
   30   HG23  ILE   4          HG23      ILE   4  -9.523  -1.565  19.308
   31   HD11  ILE   4          HD11      ILE   4  -8.654  -1.655  24.164
   32   HD12  ILE   4          HD12      ILE   4  -9.804  -1.739  22.829
   33   HD13  ILE   4          HD13      ILE   4  -8.886  -0.259  23.110
   34    H    PHE   5           HN       PHE   5  -7.149  -3.228  17.994
   35    HA   PHE   5           HA       PHE   5  -6.809  -1.379  15.845
   36    HB2  PHE   5           HB2      PHE   5  -7.897  -4.193  16.006
   37    HB3  PHE   5           HB1      PHE   5  -7.809  -3.301  14.488
   38    HD1  PHE   5           HD2      PHE   5  -5.604  -2.552  13.599
   39    HD2  PHE   5           HD1      PHE   5  -5.921  -5.068  17.066
   40    HE1  PHE   5           HE2      PHE   5  -3.204  -3.141  13.390
   41    HE2  PHE   5           HE1      PHE   5  -3.521  -5.655  16.858
   42    HZ   PHE   5           HZ       PHE   5  -2.163  -4.693  15.020
   43    H    THR   6           HN       THR   6  -8.215   0.048  15.086
   44    HA   THR   6           HA       THR   6 -10.967   0.051  16.024
   45    HB   THR   6           HB       THR   6 -11.000   2.153  14.461
   46    HG1  THR   6           HG1      THR   6  -8.290   2.285  14.866
   47   HG21  THR   6          HG21      THR   6  -9.722   3.439  16.241
   48   HG22  THR   6          HG22      THR   6  -9.374   1.878  16.988
   49   HG23  THR   6          HG23      THR   6 -11.047   2.422  16.817
   50    H    VAL   7           HN       VAL   7 -12.741   0.458  14.448
   51    HA   VAL   7           HA       VAL   7 -12.953  -1.695  12.644
   52    HB   VAL   7           HB       VAL   7 -14.582   0.856  12.735
   53   HG11  VAL   7          HG11      VAL   7 -14.990  -1.846  11.442
   54   HG12  VAL   7          HG12      VAL   7 -15.069  -0.256  10.682
   55   HG13  VAL   7          HG13      VAL   7 -16.339  -0.769  11.794
   56   HG21  VAL   7          HG21      VAL   7 -14.507  -0.320  14.905
   57   HG22  VAL   7          HG22      VAL   7 -14.978  -1.825  14.102
   58   HG23  VAL   7          HG23      VAL   7 -16.104  -0.467  14.160
   59    H    GLN   8           HN       GLN   8 -12.420   1.782  12.076
   60    HA   GLN   8           HA       GLN   8 -12.387   1.732   9.287
   61    HB2  GLN   8           HB2      GLN   8 -10.958   3.503  11.263
   62    HB3  GLN   8           HB1      GLN   8 -10.900   3.773   9.520
   63    HG2  GLN   8           HG2      GLN   8 -13.371   3.883   9.460
   64    HG3  GLN   8           HG1      GLN   8 -13.417   3.642  11.207
   65   HE21  GLN   8          HE21      GLN   8 -14.017   5.670  12.040
   66   HE22  GLN   8          HE22      GLN   8 -13.244   7.130  11.650
   67    H    GLU   9           HN       GLU   9  -9.780   1.143  11.608
   68    HA   GLU   9           HA       GLU   9  -7.698   0.947   9.708
   69    HB2  GLU   9           HB2      GLU   9  -7.506   1.187  12.257
   70    HB3  GLU   9           HB1      GLU   9  -7.791  -0.551  12.329
   71    HG2  GLU   9           HG2      GLU   9  -5.609   0.676  10.623
   72    HG3  GLU   9           HG1      GLU   9  -5.345   0.153  12.282
   73    H    LEU  10           HN       LEU  10  -9.671  -1.552  11.291
   74    HA   LEU  10           HA       LEU  10  -8.505  -3.699   9.833
   75    HB2  LEU  10           HB2      LEU  10  -9.827  -3.749  12.077
   76    HB3  LEU  10           HB1      LEU  10 -11.255  -3.788  11.048
   77    HG   LEU  10           HG       LEU  10  -9.914  -5.739   9.806
   78   HD11  LEU  10          HD11      LEU  10  -7.892  -5.364  11.283
   79   HD12  LEU  10          HD12      LEU  10  -8.497  -7.017  11.295
   80   HD13  LEU  10          HD13      LEU  10  -8.857  -5.939  12.641
   81   HD21  LEU  10          HD21      LEU  10 -11.466  -5.909  12.394
   82   HD22  LEU  10          HD22      LEU  10 -10.937  -7.354  11.534
   83   HD23  LEU  10          HD23      LEU  10 -12.031  -6.217  10.753
   84    H    LYS  11           HN       LYS  11 -10.914  -1.374   9.108
   85    HA   LYS  11           HA       LYS  11 -12.543  -2.775   7.329
   86    HB2  LYS  11           HB2      LYS  11 -12.664  -0.299   8.221
   87    HB3  LYS  11           HB1      LYS  11 -11.758   0.087   6.767
   88    HG2  LYS  11           HG2      LYS  11 -13.493  -0.933   5.389
   89    HG3  LYS  11           HG1      LYS  11 -14.376  -1.443   6.827
   90    HD2  LYS  11           HD2      LYS  11 -14.564   0.960   7.495
   91    HD3  LYS  11           HD1      LYS  11 -13.841   1.400   5.946
   92    HE2  LYS  11           HE2      LYS  11 -15.675   0.186   4.779
   93    HE3  LYS  11           HE1      LYS  11 -16.411  -0.154   6.348
   94    HZ1  LYS  11           HZ1      LYS  11 -16.535   2.242   6.742
   95    HZ2  LYS  11           HZ2      LYS  11 -17.416   1.785   5.362
   96    HZ3  LYS  11           HZ3      LYS  11 -15.901   2.536   5.196
   97    H    GLU  12           HN       GLU  12  -9.491  -1.050   6.749
   98    HA   GLU  12           HA       GLU  12  -9.419  -1.438   3.950
   99    HB2  GLU  12           HB2      GLU  12  -7.200  -1.021   5.963
  100    HB3  GLU  12           HB1      GLU  12  -6.959  -1.013   4.216
  101    HG2  GLU  12           HG2      GLU  12  -8.547   0.845   3.985
  102    HG3  GLU  12           HG1      GLU  12  -8.849   0.819   5.721
  103    H    ARG  13           HN       ARG  13  -7.995  -3.297   6.629
  104    HA   ARG  13           HA       ARG  13  -6.809  -5.275   4.948
  105    HB2  ARG  13           HB2      ARG  13  -7.473  -5.232   7.894
  106    HB3  ARG  13           HB1      ARG  13  -6.646  -6.577   7.108
  107    HG2  ARG  13           HG2      ARG  13  -4.863  -5.056   6.352
  108    HG3  ARG  13           HG1      ARG  13  -5.692  -3.699   7.115
  109    HD2  ARG  13           HD2      ARG  13  -5.484  -4.818   9.312
  110    HD3  ARG  13           HD1      ARG  13  -4.630  -6.153   8.543
  111    HE   ARG  13           HE       ARG  13  -3.532  -3.574   9.211
  112   HH11  ARG  13          HH21      ARG  13  -3.384  -6.289   7.071
  113   HH12  ARG  13          HH22      ARG  13  -1.717  -6.054   6.665
  114   HH21  ARG  13          HH11      ARG  13  -1.346  -3.259   8.685
  115   HH22  ARG  13          HH12      ARG  13  -0.563  -4.338   7.580
  116    H    ALA  14           HN       ALA  14  -9.888  -5.002   6.640
  117    HA   ALA  14           HA       ALA  14 -10.733  -7.680   6.106
  118    HB1  ALA  14           HB1      ALA  14 -11.730  -6.537   7.966
  119    HB2  ALA  14           HB2      ALA  14 -12.997  -6.775   6.762
  120    HB3  ALA  14           HB3      ALA  14 -12.236  -5.194   6.940
  121    H    LYS  15           HN       LYS  15 -10.439  -4.926   4.179
  122    HA   LYS  15           HA       LYS  15 -12.682  -5.179   2.476
  123    HB2  LYS  15           HB2      LYS  15 -11.188  -3.185   2.554
  124    HB3  LYS  15           HB1      LYS  15  -9.934  -4.136   1.764
  125    HG2  LYS  15           HG2      LYS  15 -11.393  -4.505  -0.169
  126    HG3  LYS  15           HG1      LYS  15 -12.687  -3.605   0.623
  127    HD2  LYS  15           HD2      LYS  15 -11.282  -1.587   0.657
  128    HD3  LYS  15           HD1      LYS  15  -9.968  -2.480  -0.112
  129    HE2  LYS  15           HE2      LYS  15 -11.189  -1.210  -1.799
  130    HE3  LYS  15           HE1      LYS  15 -11.447  -2.936  -2.048
  131    HZ1  LYS  15           HZ1      LYS  15 -13.559  -2.789  -0.965
  132    HZ2  LYS  15           HZ2      LYS  15 -13.505  -1.607  -2.184
  133    HZ3  LYS  15           HZ3      LYS  15 -13.302  -1.165  -0.556
  134    H    VAL  16           HN       VAL  16  -9.386  -6.505   2.276
  135    HA   VAL  16           HA       VAL  16  -8.474  -7.973   0.701
  136    HB   VAL  16           HB       VAL  16  -9.530 -10.198   0.928
  137   HG11  VAL  16          HG11      VAL  16  -8.111  -9.051   2.750
  138   HG12  VAL  16          HG12      VAL  16  -9.081 -10.442   3.228
  139   HG13  VAL  16          HG13      VAL  16  -9.637  -8.811   3.602
  140   HG21  VAL  16          HG21      VAL  16 -11.916  -9.269   0.884
  141   HG22  VAL  16          HG22      VAL  16 -11.657  -8.788   2.555
  142   HG23  VAL  16          HG23      VAL  16 -11.604 -10.485   2.118
  143    H    PHE  17           HN       PHE  17 -10.313 -10.027  -0.574
  144    HA   PHE  17           HA       PHE  17 -11.741  -8.420  -2.558
  145    HB2  PHE  17           HB2      PHE  17 -10.614  -9.554  -4.421
  146    HB3  PHE  17           HB1      PHE  17  -9.468  -8.620  -3.460
  147    HD1  PHE  17           HD2      PHE  17  -7.858  -9.728  -1.978
  148    HD2  PHE  17           HD1      PHE  17 -10.601 -11.993  -4.384
  149    HE1  PHE  17           HE2      PHE  17  -6.528 -11.780  -1.561
  150    HE2  PHE  17           HE1      PHE  17  -9.272 -14.046  -3.967
  151    HZ   PHE  17           HZ       PHE  17  -7.235 -13.938  -2.556
  152    H    ALA  18           HN       ALA  18 -13.194  -9.667  -3.856
  153    HA   ALA  18           HA       ALA  18 -14.899 -11.205  -4.028
  154    HB1  ALA  18           HB1      ALA  18 -14.176 -13.533  -4.156
  155    HB2  ALA  18           HB2      ALA  18 -12.657 -13.125  -3.358
  156    HB3  ALA  18           HB3      ALA  18 -13.003 -12.496  -4.969
  157    H    LYS  19           HN       LYS  19 -15.315 -10.011  -1.763
  158    HA   LYS  19           HA       LYS  19 -15.429 -12.048   0.325
  159    HB2  LYS  19           HB2      LYS  19 -14.622  -9.424   0.460
  160    HB3  LYS  19           HB1      LYS  19 -16.252  -9.351   1.116
  161    HG2  LYS  19           HG2      LYS  19 -14.219 -11.418   2.041
  162    HG3  LYS  19           HG1      LYS  19 -14.382  -9.843   2.802
  163    HD2  LYS  19           HD2      LYS  19 -16.894 -11.456   2.398
  164    HD3  LYS  19           HD1      LYS  19 -15.791 -11.954   3.676
  165    HE2  LYS  19           HE2      LYS  19 -16.769  -9.110   3.371
  166    HE3  LYS  19           HE1      LYS  19 -17.581 -10.303   4.384
  167    HZ1  LYS  19           HZ1      LYS  19 -16.091  -9.947   5.963
  168    HZ2  LYS  19           HZ2      LYS  19 -15.351  -8.753   5.007
  169    HZ3  LYS  19           HZ3      LYS  19 -14.825 -10.366   4.917
  170    HA   PRO  20           HA       PRO  20 -19.765 -12.480  -0.917
  171    HB2  PRO  20           HB2      PRO  20 -19.783 -14.002   1.670
  172    HB3  PRO  20           HB1      PRO  20 -20.383 -14.491   0.072
  173    HG2  PRO  20           HG2      PRO  20 -18.104 -15.468   1.060
  174    HG3  PRO  20           HG1      PRO  20 -18.287 -15.111  -0.668
  175    HD2  PRO  20           HD2      PRO  20 -16.792 -13.595   1.422
  176    HD3  PRO  20           HD1      PRO  20 -16.446 -13.816  -0.314
  177    H    ILE  21           HN       ILE  21 -21.607 -11.401  -0.326
  178    HA   ILE  21           HA       ILE  21 -21.398  -9.487   1.856
  179    HB   ILE  21           HB       ILE  21 -23.543  -8.634   0.967
  180   HG12  ILE  21          HG12      ILE  21 -23.224 -10.866  -1.069
  181   HG13  ILE  21          HG11      ILE  21 -24.434 -10.839   0.218
  182   HG21  ILE  21          HG21      ILE  21 -22.633  -7.751  -1.064
  183   HG22  ILE  21          HG22      ILE  21 -21.588  -9.156  -1.284
  184   HG23  ILE  21          HG23      ILE  21 -21.262  -8.009   0.016
  185   HD11  ILE  21          HD11      ILE  21 -24.173  -8.859  -2.059
  186   HD12  ILE  21          HD12      ILE  21 -25.289  -8.673  -0.706
  187   HD13  ILE  21          HD13      ILE  21 -25.470 -10.031  -1.818
  188    H    GLY  22           HN       GLY  22 -22.736  -9.383   3.642
  189    HA2  GLY  22           HA2      GLY  22 -24.848 -11.308   4.069
  190    HA3  GLY  22           HA1      GLY  22 -23.410 -11.617   5.036
  191    H    ALA  23           HN       ALA  23 -23.772 -10.936   7.051
  192    HA   ALA  23           HA       ALA  23 -24.305  -8.162   7.582
  193    HB1  ALA  23           HB1      ALA  23 -26.392  -8.496   8.834
  194    HB2  ALA  23           HB2      ALA  23 -26.407 -10.197   8.368
  195    HB3  ALA  23           HB3      ALA  23 -26.601  -8.945   7.141
  196    H    SER  24           HN       SER  24 -23.528 -11.372   8.518
  197    HA   SER  24           HA       SER  24 -23.253 -10.822  11.343
  198    HB2  SER  24           HB2      SER  24 -22.242 -13.070  11.429
  199    HB3  SER  24           HB1      SER  24 -23.779 -13.086  10.568
  200    HG   SER  24           HG       SER  24 -21.570 -14.018   9.677
  201    H    TYR  25           HN       TYR  25 -21.383 -10.274   8.544
  202    HA   TYR  25           HA       TYR  25 -18.775 -10.489   9.694
  203    HB2  TYR  25           HB2      TYR  25 -19.755  -8.927   7.291
  204    HB3  TYR  25           HB1      TYR  25 -18.061  -9.198   7.701
  205    HD1  TYR  25           HD2      TYR  25 -21.206 -10.814   6.616
  206    HD2  TYR  25           HD1      TYR  25 -17.016 -11.359   7.392
  207    HE1  TYR  25           HE2      TYR  25 -21.283 -13.018   5.482
  208    HE2  TYR  25           HE1      TYR  25 -17.094 -13.563   6.259
  209    HH   TYR  25           HH       TYR  25 -19.146 -15.340   5.836
  210    H    GLN  26           HN       GLN  26 -21.009  -7.780   9.144
  211    HA   GLN  26           HA       GLN  26 -19.292  -5.767  10.177
  212    HB2  GLN  26           HB2      GLN  26 -21.448  -4.456  10.398
  213    HB3  GLN  26           HB1      GLN  26 -21.110  -5.084   8.784
  214    HG2  GLN  26           HG2      GLN  26 -22.637  -6.914   9.089
  215    HG3  GLN  26           HG1      GLN  26 -22.834  -6.540  10.801
  216   HE21  GLN  26          HE21      GLN  26 -24.921  -6.593   8.613
  217   HE22  GLN  26          HE22      GLN  26 -25.623  -5.047   8.640
  218    H    GLY  27           HN       GLY  27 -21.508  -8.031  11.644
  219    HA2  GLY  27           HA2      GLY  27 -21.902  -6.778  14.132
  220    HA3  GLY  27           HA1      GLY  27 -21.999  -8.512  13.839
  221    H    ILE  28           HN       ILE  28 -19.265  -8.744  12.889
  222    HA   ILE  28           HA       ILE  28 -17.965  -9.160  15.393
  223    HB   ILE  28           HB       ILE  28 -16.912  -9.267  12.559
  224   HG12  ILE  28          HG12      ILE  28 -17.631 -11.495  14.486
  225   HG13  ILE  28          HG11      ILE  28 -18.728 -10.891  13.243
  226   HG21  ILE  28          HG21      ILE  28 -15.006  -8.950  13.950
  227   HG22  ILE  28          HG22      ILE  28 -15.107 -10.693  13.722
  228   HG23  ILE  28          HG23      ILE  28 -15.669  -9.967  15.226
  229   HD11  ILE  28          HD11      ILE  28 -15.963 -12.027  12.725
  230   HD12  ILE  28          HD12      ILE  28 -17.098 -11.465  11.497
  231   HD13  ILE  28          HD13      ILE  28 -17.480 -12.890  12.465
  232    H    LEU  29           HN       LEU  29 -18.083  -6.540  13.137
  233    HA   LEU  29           HA       LEU  29 -15.709  -5.243  14.270
  234    HB2  LEU  29           HB2      LEU  29 -17.560  -4.673  11.955
  235    HB3  LEU  29           HB1      LEU  29 -16.492  -3.412  12.566
  236    HG   LEU  29           HG       LEU  29 -15.511  -4.766  10.680
  237   HD11  LEU  29          HD11      LEU  29 -13.413  -4.462  11.537
  238   HD12  LEU  29          HD12      LEU  29 -13.734  -5.403  12.988
  239   HD13  LEU  29          HD13      LEU  29 -14.251  -3.723  12.894
  240   HD21  LEU  29          HD21      LEU  29 -16.582  -6.931  11.577
  241   HD22  LEU  29          HD22      LEU  29 -15.257  -6.968  12.738
  242   HD23  LEU  29          HD23      LEU  29 -14.915  -7.057  11.011
  243    H    ASP  30           HN       ASP  30 -19.207  -4.860  14.162
  244    HA   ASP  30           HA       ASP  30 -19.359  -2.351  15.425
  245    HB2  ASP  30           HB2      ASP  30 -21.285  -4.679  15.369
  246    HB3  ASP  30           HB1      ASP  30 -21.676  -3.116  16.082
  247    H    GLN  31           HN       GLN  31 -18.759  -5.535  16.676
  248    HA   GLN  31           HA       GLN  31 -19.434  -5.039  19.386
  249    HB2  GLN  31           HB2      GLN  31 -19.122  -7.312  18.372
  250    HB3  GLN  31           HB1      GLN  31 -17.387  -7.002  18.331
  251    HG2  GLN  31           HG2      GLN  31 -17.863  -8.228  20.357
  252    HG3  GLN  31           HG1      GLN  31 -17.486  -6.574  20.810
  253   HE21  GLN  31          HE21      GLN  31 -18.798  -6.403  22.696
  254   HE22  GLN  31          HE22      GLN  31 -20.487  -6.569  22.666
  255    H    LEU  32           HN       LEU  32 -16.516  -4.544  17.480
  256    HA   LEU  32           HA       LEU  32 -14.713  -4.082  19.593
  257    HB2  LEU  32           HB2      LEU  32 -14.826  -3.242  16.706
  258    HB3  LEU  32           HB1      LEU  32 -13.564  -2.596  17.749
  259    HG   LEU  32           HG       LEU  32 -12.803  -4.838  18.296
  260   HD11  LEU  32          HD11      LEU  32 -13.905  -6.762  16.966
  261   HD12  LEU  32          HD12      LEU  32 -15.245  -5.643  16.724
  262   HD13  LEU  32          HD13      LEU  32 -14.791  -6.128  18.355
  263   HD21  LEU  32          HD21      LEU  32 -13.278  -4.639  15.307
  264   HD22  LEU  32          HD22      LEU  32 -11.976  -5.511  16.113
  265   HD23  LEU  32          HD23      LEU  32 -12.024  -3.749  16.170
  266    H    ASP  33           HN       ASP  33 -16.814  -1.854  17.800
  267    HA   ASP  33           HA       ASP  33 -15.960   0.502  19.123
  268    HB2  ASP  33           HB2      ASP  33 -18.509  -0.200  17.665
  269    HB3  ASP  33           HB1      ASP  33 -18.187   1.404  18.322
  270    H    LEU  34           HN       LEU  34 -18.497  -1.851  19.800
  271    HA   LEU  34           HA       LEU  34 -19.655  -0.405  21.968
  272    HB2  LEU  34           HB2      LEU  34 -19.795  -3.338  21.229
  273    HB3  LEU  34           HB1      LEU  34 -20.779  -2.571  22.472
  274    HG   LEU  34           HG       LEU  34 -20.706  -1.607  19.600
  275   HD11  LEU  34          HD11      LEU  34 -22.595  -3.552  20.954
  276   HD12  LEU  34          HD12      LEU  34 -21.568  -3.868  19.556
  277   HD13  LEU  34          HD13      LEU  34 -22.935  -2.765  19.413
  278   HD21  LEU  34          HD21      LEU  34 -21.589   0.136  20.909
  279   HD22  LEU  34          HD22      LEU  34 -22.355  -0.964  22.052
  280   HD23  LEU  34          HD23      LEU  34 -23.041  -0.738  20.448
  281    H    VAL  35           HN       VAL  35 -16.854  -2.327  21.648
  282    HA   VAL  35           HA       VAL  35 -16.607  -3.471  24.167
  283    HB   VAL  35           HB       VAL  35 -15.056  -3.576  22.035
  284   HG11  VAL  35          HG11      VAL  35 -14.520  -1.038  22.421
  285   HG12  VAL  35          HG12      VAL  35 -13.197  -2.120  21.984
  286   HG13  VAL  35          HG13      VAL  35 -13.421  -1.627  23.662
  287   HG21  VAL  35          HG21      VAL  35 -13.201  -4.403  23.464
  288   HG22  VAL  35          HG22      VAL  35 -14.767  -4.957  24.061
  289   HG23  VAL  35          HG23      VAL  35 -13.942  -3.620  24.861
  290    H    HIS  36           HN       HIS  36 -16.275  -0.153  23.171
  291    HA   HIS  36           HA       HIS  36 -14.997   0.683  25.648
  292    HB2  HIS  36           HB2      HIS  36 -14.536   1.771  23.425
  293    HB3  HIS  36           HB1      HIS  36 -16.178   2.413  23.466
  294    HD2  HIS  36           HD2      HIS  36 -16.381   4.792  24.864
  295    HE1  HIS  36           HE1      HIS  36 -12.738   4.544  26.985
  296    HE2  HIS  36           HE2      HIS  36 -14.758   6.009  26.510
  297    H    GLN  37           HN       GLN  37 -18.194   0.670  24.178
  298    HA   GLN  37           HA       GLN  37 -19.372   2.285  26.281
  299    HB2  GLN  37           HB2      GLN  37 -20.179   2.228  23.876
  300    HB3  GLN  37           HB1      GLN  37 -20.811   0.616  24.212
  301    HG2  GLN  37           HG2      GLN  37 -22.620   2.148  24.585
  302    HG3  GLN  37           HG1      GLN  37 -22.060   1.636  26.174
  303   HE21  GLN  37          HE21      GLN  37 -21.488   4.271  23.777
  304   HE22  GLN  37          HE22      GLN  37 -21.225   5.471  24.949
  305    H    ALA  38           HN       ALA  38 -18.813  -1.087  25.620
  306    HA   ALA  38           HA       ALA  38 -20.807  -2.134  27.382
  307    HB1  ALA  38           HB1      ALA  38 -19.968  -3.588  25.683
  308    HB2  ALA  38           HB2      ALA  38 -19.373  -4.224  27.214
  309    HB3  ALA  38           HB3      ALA  38 -18.298  -3.302  26.170
  310    H    LYS  39           HN       LYS  39 -20.659  -2.693  29.504
  311    HA   LYS  39           HA       LYS  39 -18.628  -1.409  31.089
  312    HB2  LYS  39           HB2      LYS  39 -19.867  -2.347  33.010
  313    HB3  LYS  39           HB1      LYS  39 -20.896  -1.444  31.904
  314    HG2  LYS  39           HG2      LYS  39 -20.660  -4.337  31.243
  315    HG3  LYS  39           HG1      LYS  39 -21.432  -4.023  32.788
  316    HD2  LYS  39           HD2      LYS  39 -22.937  -2.378  31.559
  317    HD3  LYS  39           HD1      LYS  39 -22.265  -3.020  30.060
  318    HE2  LYS  39           HE2      LYS  39 -24.189  -4.308  30.381
  319    HE3  LYS  39           HE1      LYS  39 -22.916  -5.339  31.033
  320    HZ1  LYS  39           HZ1      LYS  39 -25.110  -4.081  32.377
  321    HZ2  LYS  39           HZ2      LYS  39 -23.623  -3.765  33.136
  322    HZ3  LYS  39           HZ3      LYS  39 -24.127  -5.366  32.882
  323    H    GLY  40           HN       GLY  40 -17.869  -2.877  33.075
  324    HA2  GLY  40           HA2      GLY  40 -15.876  -4.570  32.132
  325    HA3  GLY  40           HA1      GLY  40 -16.480  -4.566  33.784
  326    H    ARG  41           HN       ARG  41 -19.231  -5.235  32.757
  327    HA   ARG  41           HA       ARG  41 -18.875  -8.122  32.809
  328    HB2  ARG  41           HB2      ARG  41 -21.340  -6.361  32.729
  329    HB3  ARG  41           HB1      ARG  41 -21.380  -8.121  32.832
  330    HG2  ARG  41           HG2      ARG  41 -20.111  -8.054  34.930
  331    HG3  ARG  41           HG1      ARG  41 -20.005  -6.296  34.823
  332    HD2  ARG  41           HD2      ARG  41 -22.453  -6.125  34.937
  333    HD3  ARG  41           HD1      ARG  41 -22.581  -7.879  35.007
  334    HE   ARG  41           HE       ARG  41 -21.871  -7.816  37.242
  335   HH11  ARG  41          HH21      ARG  41 -21.543  -4.747  35.680
  336   HH12  ARG  41          HH22      ARG  41 -21.235  -3.877  37.146
  337   HH21  ARG  41          HH11      ARG  41 -21.467  -6.684  39.171
  338   HH22  ARG  41          HH12      ARG  41 -21.191  -4.974  39.122
  339    H    ASP  42           HN       ASP  42 -20.709  -5.919  30.679
  340    HA   ASP  42           HA       ASP  42 -21.090  -7.815  28.633
  341    HB2  ASP  42           HB2      ASP  42 -22.528  -5.882  28.800
  342    HB3  ASP  42           HB1      ASP  42 -21.165  -4.795  28.561
  343    H    GLN  43           HN       GLN  43 -18.537  -5.503  29.285
  344    HA   GLN  43           HA       GLN  43 -17.289  -5.523  26.772
  345    HB2  GLN  43           HB2      GLN  43 -16.726  -3.891  28.516
  346    HB3  GLN  43           HB1      GLN  43 -16.036  -5.179  29.508
  347    HG2  GLN  43           HG2      GLN  43 -14.330  -5.614  27.839
  348    HG3  GLN  43           HG1      GLN  43 -15.083  -4.478  26.722
  349   HE21  GLN  43          HE21      GLN  43 -12.357  -4.188  27.623
  350   HE22  GLN  43          HE22      GLN  43 -12.269  -2.774  28.558
  351    H    ILE  44           HN       ILE  44 -16.813  -7.568  29.634
  352    HA   ILE  44           HA       ILE  44 -14.696  -9.125  28.565
  353    HB   ILE  44           HB       ILE  44 -16.708  -9.690  30.751
  354   HG12  ILE  44          HG12      ILE  44 -13.746  -9.068  30.916
  355   HG13  ILE  44          HG11      ILE  44 -14.989  -7.819  31.003
  356   HG21  ILE  44          HG21      ILE  44 -14.968 -11.461  31.397
  357   HG22  ILE  44          HG22      ILE  44 -14.321 -11.272  29.767
  358   HG23  ILE  44          HG23      ILE  44 -15.975 -11.839  29.998
  359   HD11  ILE  44          HD11      ILE  44 -14.564 -10.146  32.893
  360   HD12  ILE  44          HD12      ILE  44 -16.031  -9.167  32.904
  361   HD13  ILE  44          HD13      ILE  44 -14.473  -8.427  33.270
  362    H    ALA  45           HN       ALA  45 -18.218  -9.577  28.668
  363    HA   ALA  45           HA       ALA  45 -18.313 -12.137  27.522
  364    HB1  ALA  45           HB1      ALA  45 -20.363  -9.944  27.155
  365    HB2  ALA  45           HB2      ALA  45 -20.228 -10.925  28.614
  366    HB3  ALA  45           HB3      ALA  45 -20.635 -11.684  27.074
  367    H    ALA  46           HN       ALA  46 -17.854  -8.980  26.103
  368    HA   ALA  46           HA       ALA  46 -18.492  -9.599  23.423
  369    HB1  ALA  46           HB1      ALA  46 -17.299  -7.587  22.862
  370    HB2  ALA  46           HB2      ALA  46 -16.448  -7.595  24.400
  371    HB3  ALA  46           HB3      ALA  46 -18.184  -7.286  24.354
  372    H    SER  47           HN       SER  47 -15.484  -9.805  25.285
  373    HA   SER  47           HA       SER  47 -13.821 -10.545  23.132
  374    HB2  SER  47           HB2      SER  47 -13.154  -9.765  25.489
  375    HB3  SER  47           HB1      SER  47 -13.381 -11.442  25.970
  376    HG   SER  47           HG       SER  47 -11.672 -10.474  23.913
  377    H    PHE  48           HN       PHE  48 -15.648 -12.451  25.479
  378    HA   PHE  48           HA       PHE  48 -14.758 -15.003  24.682
  379    HB2  PHE  48           HB2      PHE  48 -15.994 -14.542  26.786
  380    HB3  PHE  48           HB1      PHE  48 -17.455 -14.267  25.836
  381    HD1  PHE  48           HD1      PHE  48 -14.779 -16.812  26.469
  382    HD2  PHE  48           HD2      PHE  48 -18.823 -16.082  25.217
  383    HE1  PHE  48           HE1      PHE  48 -15.206 -19.254  26.420
  384    HE2  PHE  48           HE2      PHE  48 -19.250 -18.522  25.169
  385    HZ   PHE  48           HZ       PHE  48 -17.442 -20.110  25.770
  386    H    GLU  49           HN       GLU  49 -17.400 -12.963  23.534
  387    HA   GLU  49           HA       GLU  49 -18.630 -14.867  21.860
  388    HB2  GLU  49           HB2      GLU  49 -19.659 -12.711  22.533
  389    HB3  GLU  49           HB1      GLU  49 -18.518 -11.869  21.485
  390    HG2  GLU  49           HG2      GLU  49 -19.381 -13.129  19.537
  391    HG3  GLU  49           HG1      GLU  49 -20.525 -13.959  20.589
  392    H    LEU  50           HN       LEU  50 -16.314 -12.279  21.062
  393    HA   LEU  50           HA       LEU  50 -15.983 -13.111  18.375
  394    HB2  LEU  50           HB2      LEU  50 -14.601 -11.186  20.191
  395    HB3  LEU  50           HB1      LEU  50 -13.790 -11.644  18.694
  396    HG   LEU  50           HG       LEU  50 -15.747 -10.954  17.391
  397   HD11  LEU  50          HD11      LEU  50 -17.539 -11.462  18.915
  398   HD12  LEU  50          HD12      LEU  50 -17.588  -9.728  18.613
  399   HD13  LEU  50          HD13      LEU  50 -16.904 -10.342  20.120
  400   HD21  LEU  50          HD21      LEU  50 -14.000  -9.275  18.000
  401   HD22  LEU  50          HD22      LEU  50 -14.970  -8.820  19.402
  402   HD23  LEU  50          HD23      LEU  50 -15.592  -8.548  17.775
  403    H    ASN  51           HN       ASN  51 -14.637 -14.162  21.342
  404    HA   ASN  51           HA       ASN  51 -12.139 -15.064  20.679
  405    HB2  ASN  51           HB2      ASN  51 -13.221 -15.244  22.932
  406    HB3  ASN  51           HB1      ASN  51 -14.126 -16.630  22.335
  407   HD21  ASN  51          HD21      ASN  51 -11.894 -16.402  24.444
  408   HD22  ASN  51          HD22      ASN  51 -10.755 -17.561  23.952
  409    H    LYS  52           HN       LYS  52 -15.101 -17.014  20.433
  410    HA   LYS  52           HA       LYS  52 -13.845 -19.161  19.068
  411    HB2  LYS  52           HB2      LYS  52 -16.294 -19.717  18.430
  412    HB3  LYS  52           HB1      LYS  52 -15.843 -19.725  20.135
  413    HG2  LYS  52           HG2      LYS  52 -16.749 -17.087  19.068
  414    HG3  LYS  52           HG1      LYS  52 -17.992 -18.325  19.156
  415    HD2  LYS  52           HD2      LYS  52 -16.181 -17.846  21.523
  416    HD3  LYS  52           HD1      LYS  52 -17.569 -16.803  21.230
  417    HE2  LYS  52           HE2      LYS  52 -17.849 -19.802  21.261
  418    HE3  LYS  52           HE1      LYS  52 -17.944 -18.846  22.741
  419    HZ1  LYS  52           HZ1      LYS  52 -19.954 -19.305  20.905
  420    HZ2  LYS  52           HZ2      LYS  52 -19.510 -17.678  20.694
  421    HZ3  LYS  52           HZ3      LYS  52 -19.995 -18.239  22.223
  422    H    LYS  53           HN       LYS  53 -15.641 -16.326  17.944
  423    HA   LYS  53           HA       LYS  53 -15.820 -17.054  15.237
  424    HB2  LYS  53           HB2      LYS  53 -15.688 -14.331  16.525
  425    HB3  LYS  53           HB1      LYS  53 -16.111 -14.602  14.846
  426    HG2  LYS  53           HG2      LYS  53 -18.003 -16.026  15.559
  427    HG3  LYS  53           HG1      LYS  53 -17.596 -15.702  17.246
  428    HD2  LYS  53           HD2      LYS  53 -17.952 -13.286  16.871
  429    HD3  LYS  53           HD1      LYS  53 -18.363 -13.610  15.187
  430    HE2  LYS  53           HE2      LYS  53 -20.255 -15.005  15.907
  431    HE3  LYS  53           HE1      LYS  53 -19.846 -14.697  17.593
  432    HZ1  LYS  53           HZ1      LYS  53 -21.620 -13.246  16.400
  433    HZ2  LYS  53           HZ2      LYS  53 -20.268 -12.427  15.777
  434    HZ3  LYS  53           HZ3      LYS  53 -20.508 -12.521  17.456
  435    H    ILE  54           HN       ILE  54 -13.386 -15.128  16.973
  436    HA   ILE  54           HA       ILE  54 -11.770 -14.624  14.697
  437    HB   ILE  54           HB       ILE  54 -11.167 -14.593  17.661
  438   HG12  ILE  54          HG12      ILE  54 -11.435 -12.317  15.679
  439   HG13  ILE  54          HG11      ILE  54 -12.782 -12.907  16.652
  440   HG21  ILE  54          HG21      ILE  54  -9.030 -14.912  16.748
  441   HG22  ILE  54          HG22      ILE  54  -9.158 -13.153  16.771
  442   HG23  ILE  54          HG23      ILE  54  -9.417 -14.037  15.270
  443   HD11  ILE  54          HD11      ILE  54 -11.656 -10.966  17.721
  444   HD12  ILE  54          HD12      ILE  54 -10.149 -11.881  17.760
  445   HD13  ILE  54          HD13      ILE  54 -11.533 -12.420  18.712
  446    H    ASN  55           HN       ASN  55 -11.596 -17.057  17.280
  447    HA   ASN  55           HA       ASN  55  -9.238 -18.317  16.368
  448    HB2  ASN  55           HB2      ASN  55 -10.085 -18.678  18.626
  449    HB3  ASN  55           HB1      ASN  55 -11.546 -19.428  17.986
  450   HD21  ASN  55          HD21      ASN  55  -8.148 -19.956  18.689
  451   HD22  ASN  55          HD22      ASN  55  -8.122 -21.597  18.256
  452    H    ASP  56           HN       ASP  56 -12.660 -18.892  15.691
  453    HA   ASP  56           HA       ASP  56 -12.331 -21.254  14.182
  454    HB2  ASP  56           HB2      ASP  56 -14.482 -19.134  14.200
  455    HB3  ASP  56           HB1      ASP  56 -14.579 -20.579  13.197
  456    H    TYR  57           HN       TYR  57 -12.118 -17.850  13.347
  457    HA   TYR  57           HA       TYR  57 -12.237 -18.084  10.559
  458    HB2  TYR  57           HB2      TYR  57 -11.622 -16.047  12.484
  459    HB3  TYR  57           HB1      TYR  57 -10.323 -16.022  11.297
  460    HD1  TYR  57           HD2      TYR  57 -11.005 -16.063   8.797
  461    HD2  TYR  57           HD1      TYR  57 -13.682 -15.028  11.989
  462    HE1  TYR  57           HE2      TYR  57 -12.486 -14.911   7.177
  463    HE2  TYR  57           HE1      TYR  57 -15.167 -13.880  10.372
  464    HH   TYR  57           HH       TYR  57 -14.554 -14.018   6.896
  465    H    ILE  58           HN       ILE  58  -9.411 -18.158  12.712
  466    HA   ILE  58           HA       ILE  58  -7.508 -18.599  10.663
  467    HB   ILE  58           HB       ILE  58  -7.454 -19.157  13.629
  468   HG12  ILE  58          HG12      ILE  58  -5.687 -17.231  13.353
  469   HG13  ILE  58          HG11      ILE  58  -6.472 -16.932  11.803
  470   HG21  ILE  58          HG21      ILE  58  -5.353 -19.584  11.511
  471   HG22  ILE  58          HG22      ILE  58  -5.895 -20.703  12.755
  472   HG23  ILE  58          HG23      ILE  58  -4.921 -19.301  13.195
  473   HD11  ILE  58          HD11      ILE  58  -7.968 -17.076  14.433
  474   HD12  ILE  58          HD12      ILE  58  -8.586 -16.529  12.875
  475   HD13  ILE  58          HD13      ILE  58  -7.387 -15.577  13.723
  476    H    ALA  59           HN       ALA  59  -9.278 -20.795  12.793
  477    HA   ALA  59           HA       ALA  59  -8.027 -23.171  11.947
  478    HB1  ALA  59           HB1      ALA  59 -10.831 -22.736  13.003
  479    HB2  ALA  59           HB2      ALA  59  -9.395 -23.076  13.970
  480    HB3  ALA  59           HB3      ALA  59 -10.028 -24.300  12.870
  481    H    GLU  60           HN       GLU  60 -10.900 -21.475  10.763
  482    HA   GLU  60           HA       GLU  60 -11.531 -23.449   8.785
  483    HB2  GLU  60           HB2      GLU  60 -12.432 -20.595   9.187
  484    HB3  GLU  60           HB1      GLU  60 -13.039 -21.631   7.896
  485    HG2  GLU  60           HG2      GLU  60 -13.844 -23.257   9.531
  486    HG3  GLU  60           HG1      GLU  60 -13.167 -22.307  10.848
  487    H    HIS  61           HN       HIS  61  -9.757 -20.401   8.811
  488    HA   HIS  61           HA       HIS  61  -8.697 -21.052   6.121
  489    HB2  HIS  61           HB2      HIS  61  -9.532 -18.294   7.019
  490    HB3  HIS  61           HB1      HIS  61  -8.874 -18.748   5.446
  491    HD2  HIS  61           HD2      HIS  61 -12.235 -17.929   6.587
  492    HE1  HIS  61           HE1      HIS  61 -12.919 -21.297   4.134
  493    HE2  HIS  61           HE2      HIS  61 -14.023 -19.329   5.299
  494    HA   PRO  62           HA       PRO  62  -5.395 -19.966   9.231
  495    HB2  PRO  62           HB2      PRO  62  -3.952 -22.293   9.015
  496    HB3  PRO  62           HB1      PRO  62  -5.294 -22.087  10.155
  497    HG2  PRO  62           HG2      PRO  62  -5.251 -23.468   7.513
  498    HG3  PRO  62           HG1      PRO  62  -6.106 -23.909   9.001
  499    HD2  PRO  62           HD2      PRO  62  -7.308 -22.679   6.848
  500    HD3  PRO  62           HD1      PRO  62  -7.916 -22.553   8.510
  501    H    THR  63           HN       THR  63  -5.455 -21.183   5.980
  502    HA   THR  63           HA       THR  63  -2.721 -20.717   5.329
  503    HB   THR  63           HB       THR  63  -5.167 -20.871   3.551
  504    HG1  THR  63           HG1      THR  63  -4.207 -22.995   3.196
  505   HG21  THR  63          HG21      THR  63  -2.201 -20.871   2.953
  506   HG22  THR  63          HG22      THR  63  -3.424 -19.760   2.333
  507   HG23  THR  63          HG23      THR  63  -3.414 -21.443   1.807
  508    H    SER  64           HN       SER  64  -5.517 -18.694   5.594
  509    HA   SER  64           HA       SER  64  -4.490 -16.547   3.967
  510    HB2  SER  64           HB2      SER  64  -6.636 -16.248   6.059
  511    HB3  SER  64           HB1      SER  64  -6.448 -15.383   4.536
  512    HG   SER  64           HG       SER  64  -7.893 -16.858   3.982
  513    H    GLY  65           HN       GLY  65  -2.670 -15.565   4.620
  514    HA2  GLY  65           HA2      GLY  65  -1.794 -15.347   7.303
  515    HA3  GLY  65           HA1      GLY  65  -1.163 -14.428   5.939
  516    H    ARG  66           HN       ARG  66  -3.731 -13.264   5.240
  517    HA   ARG  66           HA       ARG  66  -3.624 -10.904   6.750
  518    HB2  ARG  66           HB2      ARG  66  -4.624 -11.224   4.430
  519    HB3  ARG  66           HB1      ARG  66  -6.046 -11.884   5.237
  520    HG2  ARG  66           HG2      ARG  66  -6.687  -9.651   5.151
  521    HG3  ARG  66           HG1      ARG  66  -5.831  -9.631   6.691
  522    HD2  ARG  66           HD2      ARG  66  -5.035  -7.769   5.368
  523    HD3  ARG  66           HD1      ARG  66  -3.749  -8.968   5.449
  524    HE   ARG  66           HE       ARG  66  -5.375  -9.385   3.142
  525   HH11  ARG  66          HH21      ARG  66  -2.917  -7.373   4.510
  526   HH12  ARG  66          HH22      ARG  66  -2.237  -6.927   2.982
  527   HH21  ARG  66          HH11      ARG  66  -4.488  -8.805   1.132
  528   HH22  ARG  66          HH12      ARG  66  -3.127  -7.738   1.068
  529    H    ASN  67           HN       ASN  67  -5.572 -13.810   7.103
  530    HA   ASN  67           HA       ASN  67  -7.454 -12.852   8.962
  531    HB2  ASN  67           HB2      ASN  67  -7.670 -15.013   7.798
  532    HB3  ASN  67           HB1      ASN  67  -6.301 -15.638   8.717
  533   HD21  ASN  67          HD21      ASN  67  -8.350 -13.444  10.456
  534   HD22  ASN  67          HD22      ASN  67  -9.174 -14.614  11.368
  535    H    GLN  68           HN       GLN  68  -4.201 -14.170   9.383
  536    HA   GLN  68           HA       GLN  68  -4.055 -14.592  12.085
  537    HB2  GLN  68           HB2      GLN  68  -1.976 -13.204  10.374
  538    HB3  GLN  68           HB1      GLN  68  -1.680 -13.961  11.938
  539    HG2  GLN  68           HG2      GLN  68  -2.794 -15.419   9.528
  540    HG3  GLN  68           HG1      GLN  68  -1.096 -15.442  10.002
  541   HE21  GLN  68          HE21      GLN  68  -3.667 -17.408  10.141
  542   HE22  GLN  68          HE22      GLN  68  -3.423 -18.148  11.649
  543    H    ALA  69           HN       ALA  69  -4.618 -11.607  10.468
  544    HA   ALA  69           HA       ALA  69  -3.707  -9.830  12.513
  545    HB1  ALA  69           HB1      ALA  69  -5.846  -9.335  10.429
  546    HB2  ALA  69           HB2      ALA  69  -4.115  -9.171  10.131
  547    HB3  ALA  69           HB3      ALA  69  -4.911  -8.120  11.301
  548    H    LEU  70           HN       LEU  70  -6.706 -11.533  11.896
  549    HA   LEU  70           HA       LEU  70  -8.334 -10.117  13.718
  550    HB2  LEU  70           HB2      LEU  70  -8.466 -12.864  12.485
  551    HB3  LEU  70           HB1      LEU  70  -9.648 -12.373  13.690
  552    HG   LEU  70           HG       LEU  70 -10.364 -11.940  11.311
  553   HD11  LEU  70          HD11      LEU  70 -10.938 -10.498  13.522
  554   HD12  LEU  70          HD12      LEU  70 -11.529 -10.044  11.932
  555   HD13  LEU  70          HD13      LEU  70 -10.118  -9.239  12.599
  556   HD21  LEU  70          HD21      LEU  70  -9.282 -10.247  10.016
  557   HD22  LEU  70          HD22      LEU  70  -7.977 -11.259  10.634
  558   HD23  LEU  70          HD23      LEU  70  -8.324  -9.705  11.393
  559    H    THR  71           HN       THR  71  -6.135 -12.810  14.096
  560    HA   THR  71           HA       THR  71  -6.896 -13.611  16.683
  561    HB   THR  71           HB       THR  71  -4.103 -13.690  15.535
  562    HG1  THR  71           HG1      THR  71  -5.683 -15.910  15.344
  563   HG21  THR  71          HG21      THR  71  -3.937 -15.714  16.958
  564   HG22  THR  71          HG22      THR  71  -5.566 -15.407  17.560
  565   HG23  THR  71          HG23      THR  71  -4.266 -14.268  17.911
  566    H    GLN  72           HN       GLN  72  -4.977 -10.935  15.538
  567    HA   GLN  72           HA       GLN  72  -3.598 -10.306  17.912
  568    HB2  GLN  72           HB2      GLN  72  -4.550  -8.541  15.656
  569    HB3  GLN  72           HB1      GLN  72  -3.477  -7.999  16.939
  570    HG2  GLN  72           HG2      GLN  72  -1.857  -9.759  16.323
  571    HG3  GLN  72           HG1      GLN  72  -2.928 -10.284  15.026
  572   HE21  GLN  72          HE21      GLN  72  -3.616  -8.247  13.543
  573   HE22  GLN  72          HE22      GLN  72  -2.321  -7.246  13.093
  574    H    LEU  73           HN       LEU  73  -6.876  -9.650  16.863
  575    HA   LEU  73           HA       LEU  73  -7.531  -7.633  18.708
  576    HB2  LEU  73           HB2      LEU  73  -9.183  -9.741  17.323
  577    HB3  LEU  73           HB1      LEU  73  -9.904  -8.534  18.374
  578    HG   LEU  73           HG       LEU  73  -8.075  -7.761  16.087
  579   HD11  LEU  73          HD11      LEU  73 -10.073  -7.397  14.715
  580   HD12  LEU  73          HD12      LEU  73 -11.099  -8.004  16.015
  581   HD13  LEU  73          HD13      LEU  73  -9.979  -9.091  15.195
  582   HD21  LEU  73          HD21      LEU  73  -8.381  -5.902  17.505
  583   HD22  LEU  73          HD22      LEU  73 -10.038  -6.338  17.902
  584   HD23  LEU  73          HD23      LEU  73  -9.657  -5.675  16.320
  585    H    LYS  74           HN       LYS  74  -7.661 -11.152  18.963
  586    HA   LYS  74           HA       LYS  74  -8.958 -11.321  21.447
  587    HB2  LYS  74           HB2      LYS  74  -8.494 -13.235  19.910
  588    HB3  LYS  74           HB1      LYS  74  -6.801 -13.170  20.401
  589    HG2  LYS  74           HG2      LYS  74  -7.577 -13.446  22.797
  590    HG3  LYS  74           HG1      LYS  74  -9.198 -13.725  22.170
  591    HD2  LYS  74           HD2      LYS  74  -6.783 -15.334  21.308
  592    HD3  LYS  74           HD1      LYS  74  -7.851 -15.824  22.622
  593    HE2  LYS  74           HE2      LYS  74  -9.772 -15.569  20.910
  594    HE3  LYS  74           HE1      LYS  74  -8.502 -15.545  19.688
  595    HZ1  LYS  74           HZ1      LYS  74  -8.993 -17.760  19.830
  596    HZ2  LYS  74           HZ2      LYS  74  -9.294 -17.712  21.501
  597    HZ3  LYS  74           HZ3      LYS  74  -7.699 -17.648  20.919
  598    H    GLU  75           HN       GLU  75  -5.504 -11.036  20.645
  599    HA   GLU  75           HA       GLU  75  -4.570 -11.194  23.320
  600    HB2  GLU  75           HB2      GLU  75  -3.340  -9.992  20.828
  601    HB3  GLU  75           HB1      GLU  75  -2.486 -10.160  22.362
  602    HG2  GLU  75           HG2      GLU  75  -3.784 -12.476  20.906
  603    HG3  GLU  75           HG1      GLU  75  -2.083 -12.051  20.739
  604    H    GLN  76           HN       GLN  76  -5.405  -8.465  21.214
  605    HA   GLN  76           HA       GLN  76  -4.600  -6.414  22.987
  606    HB2  GLN  76           HB2      GLN  76  -6.670  -6.465  20.780
  607    HB3  GLN  76           HB1      GLN  76  -6.187  -4.998  21.631
  608    HG2  GLN  76           HG2      GLN  76  -4.247  -6.825  20.193
  609    HG3  GLN  76           HG1      GLN  76  -4.947  -5.378  19.471
  610   HE21  GLN  76          HE21      GLN  76  -2.125  -6.310  20.755
  611   HE22  GLN  76          HE22      GLN  76  -1.661  -4.896  21.570
  612    H    VAL  77           HN       VAL  77  -7.857  -7.733  22.335
  613    HA   VAL  77           HA       VAL  77  -9.173  -6.287  24.362
  614    HB   VAL  77           HB       VAL  77  -9.855  -8.947  23.091
  615   HG11  VAL  77          HG11      VAL  77 -11.420  -7.109  24.917
  616   HG12  VAL  77          HG12      VAL  77 -11.066  -8.820  25.152
  617   HG13  VAL  77          HG13      VAL  77 -12.192  -8.319  23.891
  618   HG21  VAL  77          HG21      VAL  77  -9.726  -7.018  21.540
  619   HG22  VAL  77          HG22      VAL  77 -10.838  -6.121  22.576
  620   HG23  VAL  77          HG23      VAL  77 -11.389  -7.572  21.737
  621    H    THR  78           HN       THR  78  -7.778  -9.560  24.346
  622    HA   THR  78           HA       THR  78  -8.509 -10.273  26.968
  623    HB   THR  78           HB       THR  78  -6.132 -11.151  25.313
  624    HG1  THR  78           HG1      THR  78  -7.465 -12.698  24.604
  625   HG21  THR  78          HG21      THR  78  -7.295 -12.141  27.915
  626   HG22  THR  78          HG22      THR  78  -5.616 -11.753  27.540
  627   HG23  THR  78          HG23      THR  78  -6.360 -13.198  26.857
  628    H    SER  79           HN       SER  79  -5.534  -8.781  25.709
  629    HA   SER  79           HA       SER  79  -4.187  -8.612  28.187
  630    HB2  SER  79           HB2      SER  79  -3.925  -7.030  25.630
  631    HB3  SER  79           HB1      SER  79  -2.866  -6.791  27.017
  632    HG   SER  79           HG       SER  79  -1.881  -8.308  25.773
  633    H    ALA  80           HN       ALA  80  -6.430  -6.443  26.537
  634    HA   ALA  80           HA       ALA  80  -6.135  -4.176  28.142
  635    HB1  ALA  80           HB1      ALA  80  -8.672  -5.204  26.859
  636    HB2  ALA  80           HB2      ALA  80  -7.448  -4.229  26.045
  637    HB3  ALA  80           HB3      ALA  80  -8.370  -3.549  27.384
  638    H    LEU  81           HN       LEU  81  -8.275  -6.985  28.543
  639    HA   LEU  81           HA       LEU  81  -9.518  -6.050  30.922
  640    HB2  LEU  81           HB2      LEU  81  -9.140  -8.863  29.886
  641    HB3  LEU  81           HB1      LEU  81 -10.240  -8.404  31.181
  642    HG   LEU  81           HG       LEU  81 -10.339  -7.217  28.394
  643   HD11  LEU  81          HD11      LEU  81 -10.832  -9.585  28.185
  644   HD12  LEU  81          HD12      LEU  81 -12.365  -8.714  28.125
  645   HD13  LEU  81          HD13      LEU  81 -11.877  -9.542  29.604
  646   HD21  LEU  81          HD21      LEU  81 -12.066  -7.039  30.874
  647   HD22  LEU  81          HD22      LEU  81 -12.779  -6.796  29.282
  648   HD23  LEU  81          HD23      LEU  81 -11.484  -5.744  29.831
  649    H    GLY  82           HN       GLY  82  -6.575  -7.839  30.279
  650    HA2  GLY  82           HA2      GLY  82  -4.736  -8.068  31.677
  651    HA3  GLY  82           HA1      GLY  82  -5.653  -7.314  32.976
  652    H    LEU  83           HN       LEU  83  -6.003 -10.272  31.002
  653    HA   LEU  83           HA       LEU  83  -7.144 -11.790  33.100
  654    HB2  LEU  83           HB2      LEU  83  -5.924 -12.424  30.426
  655    HB3  LEU  83           HB1      LEU  83  -6.275 -13.753  31.527
  656    HG   LEU  83           HG       LEU  83  -8.152 -13.224  29.929
  657   HD11  LEU  83          HD11      LEU  83  -9.266 -12.569  32.630
  658   HD12  LEU  83          HD12      LEU  83  -8.309 -14.044  32.530
  659   HD13  LEU  83          HD13      LEU  83  -9.717 -13.837  31.500
  660   HD21  LEU  83          HD21      LEU  83  -7.658 -10.683  30.136
  661   HD22  LEU  83          HD22      LEU  83  -8.607 -10.757  31.617
  662   HD23  LEU  83          HD23      LEU  83  -9.345 -11.184  30.076
  663    H    GLU  84           HN       GLU  84  -3.835 -11.450  31.944
  664    HA   GLU  84           HA       GLU  84  -2.923 -12.959  34.345
  665    HB2  GLU  84           HB2      GLU  84  -1.620 -12.719  31.619
  666    HB3  GLU  84           HB1      GLU  84  -0.908 -13.517  33.021
  667    HG2  GLU  84           HG2      GLU  84  -3.567 -14.285  31.788
  668    HG3  GLU  84           HG1      GLU  84  -2.045 -15.113  31.466
  669    H    HIS  85           HN       HIS  85  -2.839 -11.105  35.641
  670    HA   HIS  85           HA       HIS  85  -1.599  -8.678  34.949
  671    HB2  HIS  85           HB2      HIS  85  -2.023 -10.050  37.609
  672    HB3  HIS  85           HB1      HIS  85  -1.307  -8.443  37.470
  673    HD2  HIS  85           HD2      HIS  85  -3.152  -6.390  37.069
  674    HE1  HIS  85           HE1      HIS  85  -6.545  -8.821  36.441
  675    HE2  HIS  85           HE2      HIS  85  -5.741  -6.430  36.733
  676    H    HIS  86           HN       HIS  86  -0.293 -11.607  36.472
  677    HA   HIS  86           HA       HIS  86   2.413 -10.478  36.462
  678    HB2  HIS  86           HB2      HIS  86   1.275 -13.084  37.491
  679    HB3  HIS  86           HB1      HIS  86   2.991 -12.679  37.537
  680    HD2  HIS  86           HD2      HIS  86   3.717 -10.806  39.515
  681    HE1  HIS  86           HE1      HIS  86  -0.164 -10.207  41.066
  682    HE2  HIS  86           HE2      HIS  86   2.303  -9.716  41.420
  683    H    HIS  87           HN       HIS  87   4.173 -12.055  35.722
  684    HA   HIS  87           HA       HIS  87   3.408 -13.667  33.391
  685    HB2  HIS  87           HB2      HIS  87   5.098 -12.515  31.975
  686    HB3  HIS  87           HB1      HIS  87   3.749 -11.467  32.416
  687    HD2  HIS  87           HD2      HIS  87   7.580 -11.859  33.251
  688    HE1  HIS  87           HE1      HIS  87   6.215  -8.245  34.951
  689    HE2  HIS  87           HE2      HIS  87   8.268  -9.662  34.481
  690    H    HIS  88           HN       HIS  88   5.137 -15.028  32.631
  691    HA   HIS  88           HA       HIS  88   7.065 -15.673  34.785
  692    HB2  HIS  88           HB2      HIS  88   7.190 -17.883  33.751
  693    HB3  HIS  88           HB1      HIS  88   5.514 -17.468  34.110
  694    HD2  HIS  88           HD2      HIS  88   7.793 -18.110  30.997
  695    HE1  HIS  88           HE1      HIS  88   3.897 -17.294  29.593
  696    HE2  HIS  88           HE2      HIS  88   6.217 -18.074  28.916
  697    H    HIS  89           HN       HIS  89   9.052 -14.930  34.494
  698    HA   HIS  89           HA       HIS  89  10.497 -15.418  32.066
  699    HB2  HIS  89           HB2      HIS  89   9.239 -13.403  31.390
  700    HB3  HIS  89           HB1      HIS  89   9.895 -12.538  32.780
  701    HD2  HIS  89           HD2      HIS  89  11.073 -13.794  29.259
  702    HE1  HIS  89           HE1      HIS  89  14.263 -11.653  31.008
  703    HE2  HIS  89           HE2      HIS  89  13.446 -12.774  28.881
  704    H    HIS  90           HN       HIS  90  12.548 -15.781  32.626
  705    HA   HIS  90           HA       HIS  90  13.440 -15.285  35.312
  706    HB2  HIS  90           HB2      HIS  90  14.128 -17.296  34.063
  707    HB3  HIS  90           HB1      HIS  90  14.978 -16.278  32.901
  708    HD2  HIS  90           HD2      HIS  90  17.587 -15.730  33.639
  709    HE1  HIS  90           HE1      HIS  90  17.270 -16.746  37.725
  710    HE2  HIS  90           HE2      HIS  90  18.870 -16.008  35.897
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  -8.732   4.616  22.816
    2    H2   MET   1           HT2      MET   1  -8.483   6.209  23.353
    3    H3   MET   1           HT3      MET   1  -9.504   5.166  24.222
    4    HA   MET   1           HA       MET   1  -6.568   5.206  24.077
    5    HB2  MET   1           HB2      MET   1  -8.700   5.049  26.213
    6    HB3  MET   1           HB1      MET   1  -7.020   4.644  26.567
    7    HG2  MET   1           HG2      MET   1  -7.410   6.998  27.091
    8    HG3  MET   1           HG1      MET   1  -6.335   6.881  25.697
    9    HE1  MET   1           HE1      MET   1 -10.188   6.828  26.559
   10    HE2  MET   1           HE2      MET   1 -10.604   8.429  25.955
   11    HE3  MET   1           HE3      MET   1  -9.389   8.262  27.219
   12    H    GLY   2           HN       GLY   2  -5.698   3.279  25.488
   13    HA2  GLY   2           HA2      GLY   2  -5.504   0.992  25.863
   14    HA3  GLY   2           HA1      GLY   2  -7.087   0.764  25.128
   15    H    GLN   3           HN       GLN   3  -5.483   2.672  23.024
   16    HA   GLN   3           HA       GLN   3  -4.572   2.321  20.946
   17    HB2  GLN   3           HB2      GLN   3  -3.153   0.212  22.578
   18    HB3  GLN   3           HB1      GLN   3  -2.785   0.495  20.876
   19    HG2  GLN   3           HG2      GLN   3  -1.258   1.793  22.272
   20    HG3  GLN   3           HG1      GLN   3  -2.334   2.881  21.398
   21   HE21  GLN   3          HE21      GLN   3  -2.509   4.602  22.901
   22   HE22  GLN   3          HE22      GLN   3  -3.093   4.410  24.483
   23    H    ILE   4           HN       ILE   4  -7.063   1.445  20.952
   24    HA   ILE   4           HA       ILE   4  -7.166  -1.338  20.058
   25    HB   ILE   4           HB       ILE   4  -9.432   0.599  20.167
   26   HG12  ILE   4          HG12      ILE   4  -8.443   0.626  22.375
   27   HG13  ILE   4          HG11      ILE   4  -9.880  -0.393  22.439
   28   HG21  ILE   4          HG21      ILE   4  -9.232  -2.419  20.292
   29   HG22  ILE   4          HG22      ILE   4  -9.877  -1.469  18.954
   30   HG23  ILE   4          HG23      ILE   4 -10.729  -1.509  20.498
   31   HD11  ILE   4          HD11      ILE   4  -8.281  -2.367  21.961
   32   HD12  ILE   4          HD12      ILE   4  -8.216  -1.650  23.571
   33   HD13  ILE   4          HD13      ILE   4  -6.986  -1.247  22.375
   34    H    PHE   5           HN       PHE   5  -7.382  -1.987  17.998
   35    HA   PHE   5           HA       PHE   5  -6.705  -0.256  15.887
   36    HB2  PHE   5           HB2      PHE   5  -8.011  -2.987  15.891
   37    HB3  PHE   5           HB1      PHE   5  -7.488  -2.162  14.422
   38    HD1  PHE   5           HD1      PHE   5  -4.990  -1.136  14.613
   39    HD2  PHE   5           HD2      PHE   5  -6.490  -4.485  16.849
   40    HE1  PHE   5           HE1      PHE   5  -2.675  -1.925  14.983
   41    HE2  PHE   5           HE2      PHE   5  -4.169  -5.270  17.213
   42    HZ   PHE   5           HZ       PHE   5  -2.263  -3.991  16.285
   43    H    THR   6           HN       THR   6  -7.885   0.891  14.439
   44    HA   THR   6           HA       THR   6 -10.628   1.477  15.129
   45    HB   THR   6           HB       THR   6  -9.055   2.440  12.735
   46    HG1  THR   6           HG1      THR   6  -9.361   3.861  15.134
   47   HG21  THR   6          HG21      THR   6 -11.519   3.411  14.193
   48   HG22  THR   6          HG22      THR   6 -11.377   2.952  12.497
   49   HG23  THR   6          HG23      THR   6 -10.608   4.429  13.078
   50    H    VAL   7           HN       VAL   7 -12.390   1.390  13.591
   51    HA   VAL   7           HA       VAL   7 -12.667  -1.148  12.388
   52    HB   VAL   7           HB       VAL   7 -14.303   1.377  12.073
   53   HG11  VAL   7          HG11      VAL   7 -14.768  -1.457  11.116
   54   HG12  VAL   7          HG12      VAL   7 -14.777   0.020  10.153
   55   HG13  VAL   7          HG13      VAL   7 -16.075  -0.288  11.306
   56   HG21  VAL   7          HG21      VAL   7 -15.838   0.173  13.620
   57   HG22  VAL   7          HG22      VAL   7 -14.262   0.470  14.352
   58   HG23  VAL   7          HG23      VAL   7 -14.660  -1.135  13.740
   59    H    GLN   8           HN       GLN   8 -12.032   2.062  11.034
   60    HA   GLN   8           HA       GLN   8 -12.265   1.626   8.350
   61    HB2  GLN   8           HB2      GLN   8 -11.582   3.778   9.396
   62    HB3  GLN   8           HB1      GLN   8  -9.972   3.104   9.656
   63    HG2  GLN   8           HG2      GLN   8  -9.675   2.787   7.251
   64    HG3  GLN   8           HG1      GLN   8 -11.314   3.360   6.951
   65   HE21  GLN   8          HE21      GLN   8 -11.364   5.511   6.314
   66   HE22  GLN   8          HE22      GLN   8 -10.251   6.698   6.796
   67    H    GLU   9           HN       GLU   9  -9.665   0.540  10.463
   68    HA   GLU   9           HA       GLU   9  -7.922  -0.368   8.407
   69    HB2  GLU   9           HB2      GLU   9  -8.181  -1.129  11.321
   70    HB3  GLU   9           HB1      GLU   9  -6.896  -1.721  10.266
   71    HG2  GLU   9           HG2      GLU   9  -6.173   0.577   9.815
   72    HG3  GLU   9           HG1      GLU   9  -7.491   1.205  10.803
   73    H    LEU  10           HN       LEU  10 -10.483  -1.925  10.280
   74    HA   LEU  10           HA       LEU  10 -10.055  -4.546   9.278
   75    HB2  LEU  10           HB2      LEU  10 -12.336  -3.157  10.660
   76    HB3  LEU  10           HB1      LEU  10 -12.552  -4.790  10.025
   77    HG   LEU  10           HG       LEU  10 -11.807  -4.706  12.434
   78   HD11  LEU  10          HD11      LEU  10  -9.518  -6.000  11.013
   79   HD12  LEU  10          HD12      LEU  10 -11.133  -6.533  10.539
   80   HD13  LEU  10          HD13      LEU  10 -10.619  -6.661  12.220
   81   HD21  LEU  10          HD21      LEU  10  -9.133  -3.835  11.318
   82   HD22  LEU  10          HD22      LEU  10  -9.620  -3.939  13.011
   83   HD23  LEU  10          HD23      LEU  10 -10.294  -2.682  11.973
   84    H    LYS  11           HN       LYS  11 -12.006  -1.838   8.185
   85    HA   LYS  11           HA       LYS  11 -13.561  -3.172   6.281
   86    HB2  LYS  11           HB2      LYS  11 -12.497  -0.342   6.318
   87    HB3  LYS  11           HB1      LYS  11 -13.705  -0.932   5.176
   88    HG2  LYS  11           HG2      LYS  11 -15.200  -1.525   7.033
   89    HG3  LYS  11           HG1      LYS  11 -13.983  -0.997   8.195
   90    HD2  LYS  11           HD2      LYS  11 -15.403   0.880   8.038
   91    HD3  LYS  11           HD1      LYS  11 -14.086   1.285   6.939
   92    HE2  LYS  11           HE2      LYS  11 -15.394   0.641   5.018
   93    HE3  LYS  11           HE1      LYS  11 -16.659  -0.040   6.039
   94    HZ1  LYS  11           HZ1      LYS  11 -16.063   2.683   6.675
   95    HZ2  LYS  11           HZ2      LYS  11 -17.558   1.946   6.343
   96    HZ3  LYS  11           HZ3      LYS  11 -16.575   2.494   5.070
   97    H    GLU  12           HN       GLU  12 -10.311  -1.778   6.055
   98    HA   GLU  12           HA       GLU  12  -9.965  -2.141   3.272
   99    HB2  GLU  12           HB2      GLU  12  -7.925  -2.078   5.511
  100    HB3  GLU  12           HB1      GLU  12  -7.536  -1.973   3.794
  101    HG2  GLU  12           HG2      GLU  12  -9.362  -0.050   5.263
  102    HG3  GLU  12           HG1      GLU  12  -7.668   0.267   4.894
  103    H    ARG  13           HN       ARG  13  -9.161  -4.205   6.046
  104    HA   ARG  13           HA       ARG  13  -8.005  -6.292   4.492
  105    HB2  ARG  13           HB2      ARG  13  -9.170  -6.286   7.284
  106    HB3  ARG  13           HB1      ARG  13  -8.280  -7.638   6.582
  107    HG2  ARG  13           HG2      ARG  13  -7.056  -4.879   6.624
  108    HG3  ARG  13           HG1      ARG  13  -6.983  -5.901   8.058
  109    HD2  ARG  13           HD2      ARG  13  -5.945  -7.702   6.664
  110    HD3  ARG  13           HD1      ARG  13  -5.918  -6.592   5.300
  111    HE   ARG  13           HE       ARG  13  -4.625  -5.556   7.665
  112   HH11  ARG  13          HH21      ARG  13  -4.356  -7.464   4.790
  113   HH12  ARG  13          HH22      ARG  13  -2.642  -7.255   4.644
  114   HH21  ARG  13          HH11      ARG  13  -2.380  -5.278   7.483
  115   HH22  ARG  13          HH12      ARG  13  -1.524  -6.017   6.171
  116    H    ALA  14           HN       ALA  14 -11.243  -5.612   5.647
  117    HA   ALA  14           HA       ALA  14 -12.350  -8.147   4.933
  118    HB1  ALA  14           HB1      ALA  14 -13.585  -5.454   5.517
  119    HB2  ALA  14           HB2      ALA  14 -13.525  -6.870   6.566
  120    HB3  ALA  14           HB3      ALA  14 -14.543  -6.883   5.125
  121    H    LYS  15           HN       LYS  15 -11.232  -5.586   3.081
  122    HA   LYS  15           HA       LYS  15 -13.076  -5.307   1.017
  123    HB2  LYS  15           HB2      LYS  15 -10.979  -3.969   1.264
  124    HB3  LYS  15           HB1      LYS  15 -10.063  -5.369   0.706
  125    HG2  LYS  15           HG2      LYS  15 -11.291  -5.354  -1.411
  126    HG3  LYS  15           HG1      LYS  15 -12.267  -3.995  -0.849
  127    HD2  LYS  15           HD2      LYS  15 -10.204  -2.631  -0.621
  128    HD3  LYS  15           HD1      LYS  15  -9.261  -3.982  -1.253
  129    HE2  LYS  15           HE2      LYS  15 -11.559  -2.696  -2.732
  130    HE3  LYS  15           HE1      LYS  15  -9.870  -2.263  -2.983
  131    HZ1  LYS  15           HZ1      LYS  15 -11.033  -4.973  -3.343
  132    HZ2  LYS  15           HZ2      LYS  15  -9.406  -4.552  -3.591
  133    HZ3  LYS  15           HZ3      LYS  15 -10.615  -3.906  -4.594
  134    H    VAL  16           HN       VAL  16 -10.839  -7.918   1.700
  135    HA   VAL  16           HA       VAL  16 -11.158  -9.195  -0.868
  136    HB   VAL  16           HB       VAL  16  -9.846 -10.989   0.081
  137   HG11  VAL  16          HG11      VAL  16  -8.862  -8.351   1.207
  138   HG12  VAL  16          HG12      VAL  16  -8.703  -8.831  -0.482
  139   HG13  VAL  16          HG13      VAL  16  -7.873  -9.747   0.777
  140   HG21  VAL  16          HG21      VAL  16 -10.622  -9.682   2.695
  141   HG22  VAL  16          HG22      VAL  16  -9.198 -10.718   2.588
  142   HG23  VAL  16          HG23      VAL  16 -10.793 -11.370   2.217
  143    H    PHE  17           HN       PHE  17 -12.587 -10.746  -1.445
  144    HA   PHE  17           HA       PHE  17 -14.934 -11.131   0.142
  145    HB2  PHE  17           HB2      PHE  17 -13.967 -12.437  -2.409
  146    HB3  PHE  17           HB1      PHE  17 -15.543 -12.754  -1.683
  147    HD1  PHE  17           HD1      PHE  17 -17.244 -10.966  -1.525
  148    HD2  PHE  17           HD2      PHE  17 -13.480 -10.329  -3.494
  149    HE1  PHE  17           HE1      PHE  17 -18.148  -8.917  -2.592
  150    HE2  PHE  17           HE2      PHE  17 -14.384  -8.280  -4.561
  151    HZ   PHE  17           HZ       PHE  17 -16.718  -7.574  -4.110
  152    H    ALA  18           HN       ALA  18 -15.593 -12.889   1.314
  153    HA   ALA  18           HA       ALA  18 -14.220 -15.396   1.308
  154    HB1  ALA  18           HB1      ALA  18 -13.722 -13.501   3.614
  155    HB2  ALA  18           HB2      ALA  18 -12.517 -14.218   2.546
  156    HB3  ALA  18           HB3      ALA  18 -13.405 -15.235   3.679
  157    H    LYS  19           HN       LYS  19 -15.674 -13.537   3.951
  158    HA   LYS  19           HA       LYS  19 -17.584 -15.674   4.375
  159    HB2  LYS  19           HB2      LYS  19 -18.251 -13.922   6.308
  160    HB3  LYS  19           HB1      LYS  19 -16.889 -15.030   6.475
  161    HG2  LYS  19           HG2      LYS  19 -16.288 -12.706   7.052
  162    HG3  LYS  19           HG1      LYS  19 -15.359 -13.308   5.679
  163    HD2  LYS  19           HD2      LYS  19 -16.575 -12.019   4.121
  164    HD3  LYS  19           HD1      LYS  19 -17.943 -11.813   5.213
  165    HE2  LYS  19           HE2      LYS  19 -15.213 -10.670   5.813
  166    HE3  LYS  19           HE1      LYS  19 -16.429  -9.775   4.900
  167    HZ1  LYS  19           HZ1      LYS  19 -17.849 -10.647   6.995
  168    HZ2  LYS  19           HZ2      LYS  19 -17.099  -9.125   6.918
  169    HZ3  LYS  19           HZ3      LYS  19 -16.332 -10.413   7.717
  170    HA   PRO  20           HA       PRO  20 -21.173 -13.969   2.450
  171    HB2  PRO  20           HB2      PRO  20 -22.511 -13.981   5.134
  172    HB3  PRO  20           HB1      PRO  20 -23.059 -14.691   3.603
  173    HG2  PRO  20           HG2      PRO  20 -22.059 -16.194   5.585
  174    HG3  PRO  20           HG1      PRO  20 -21.793 -16.589   3.877
  175    HD2  PRO  20           HD2      PRO  20 -19.875 -15.481   5.869
  176    HD3  PRO  20           HD1      PRO  20 -19.577 -16.471   4.425
  177    H    ILE  21           HN       ILE  21 -22.060 -11.965   2.042
  178    HA   ILE  21           HA       ILE  21 -20.915  -9.704   3.398
  179    HB   ILE  21           HB       ILE  21 -23.149  -9.649   1.370
  180   HG12  ILE  21          HG12      ILE  21 -21.421 -11.060   0.429
  181   HG13  ILE  21          HG11      ILE  21 -21.281  -9.467  -0.318
  182   HG21  ILE  21          HG21      ILE  21 -20.875  -7.723   1.925
  183   HG22  ILE  21          HG22      ILE  21 -22.501  -7.542   2.583
  184   HG23  ILE  21          HG23      ILE  21 -22.241  -7.461   0.840
  185   HD11  ILE  21          HD11      ILE  21 -19.518 -10.727   1.779
  186   HD12  ILE  21          HD12      ILE  21 -19.567  -8.975   1.591
  187   HD13  ILE  21          HD13      ILE  21 -19.053  -9.995   0.246
  188    H    GLY  22           HN       GLY  22 -21.758  -8.516   4.989
  189    HA2  GLY  22           HA2      GLY  22 -23.365  -7.530   6.355
  190    HA3  GLY  22           HA1      GLY  22 -24.616  -8.387   5.461
  191    H    ALA  23           HN       ALA  23 -25.143  -8.411   7.985
  192    HA   ALA  23           HA       ALA  23 -25.562  -9.742   9.808
  193    HB1  ALA  23           HB1      ALA  23 -24.435 -12.049   8.226
  194    HB2  ALA  23           HB2      ALA  23 -26.032 -11.379   7.891
  195    HB3  ALA  23           HB3      ALA  23 -25.684 -12.081   9.471
  196    H    SER  24           HN       SER  24 -22.745 -11.472   8.500
  197    HA   SER  24           HA       SER  24 -21.455 -11.484  11.070
  198    HB2  SER  24           HB2      SER  24 -20.614 -12.404   8.322
  199    HB3  SER  24           HB1      SER  24 -19.550 -12.510   9.722
  200    HG   SER  24           HG       SER  24 -21.973 -13.829   9.187
  201    H    TYR  25           HN       TYR  25 -21.177  -9.623   8.103
  202    HA   TYR  25           HA       TYR  25 -18.691  -8.373   8.720
  203    HB2  TYR  25           HB2      TYR  25 -19.521  -8.424   6.434
  204    HB3  TYR  25           HB1      TYR  25 -20.953  -7.506   6.903
  205    HD1  TYR  25           HD1      TYR  25 -17.238  -7.350   6.670
  206    HD2  TYR  25           HD2      TYR  25 -20.892  -5.133   7.085
  207    HE1  TYR  25           HE1      TYR  25 -15.991  -5.234   6.336
  208    HE2  TYR  25           HE2      TYR  25 -19.646  -3.016   6.750
  209    HH   TYR  25           HH       TYR  25 -17.681  -2.123   6.128
  210    H    GLN  26           HN       GLN  26 -22.079  -7.398   9.146
  211    HA   GLN  26           HA       GLN  26 -21.457  -4.876  10.335
  212    HB2  GLN  26           HB2      GLN  26 -23.853  -4.875  10.991
  213    HB3  GLN  26           HB1      GLN  26 -23.615  -5.230   9.280
  214    HG2  GLN  26           HG2      GLN  26 -23.746  -7.670   9.819
  215    HG3  GLN  26           HG1      GLN  26 -24.134  -7.242  11.485
  216   HE21  GLN  26          HE21      GLN  26 -26.297  -8.204  11.283
  217   HE22  GLN  26          HE22      GLN  26 -27.511  -7.429  10.386
  218    H    GLY  27           HN       GLY  27 -22.110  -8.110  11.582
  219    HA2  GLY  27           HA2      GLY  27 -22.299  -7.367  14.324
  220    HA3  GLY  27           HA1      GLY  27 -22.004  -8.989  13.709
  221    H    ILE  28           HN       ILE  28 -19.645  -8.760  12.405
  222    HA   ILE  28           HA       ILE  28 -17.775  -8.718  14.548
  223    HB   ILE  28           HB       ILE  28 -17.675 -10.137  12.424
  224   HG12  ILE  28          HG12      ILE  28 -15.053  -9.687  12.272
  225   HG13  ILE  28          HG11      ILE  28 -15.365  -8.626  13.645
  226   HG21  ILE  28          HG21      ILE  28 -16.299  -7.720  11.248
  227   HG22  ILE  28          HG22      ILE  28 -18.006  -8.050  10.959
  228   HG23  ILE  28          HG23      ILE  28 -16.786  -9.207  10.434
  229   HD11  ILE  28          HD11      ILE  28 -16.160 -11.541  13.495
  230   HD12  ILE  28          HD12      ILE  28 -16.353 -10.486  14.894
  231   HD13  ILE  28          HD13      ILE  28 -14.739 -10.931  14.340
  232    H    LEU  29           HN       LEU  29 -18.853  -6.372  12.254
  233    HA   LEU  29           HA       LEU  29 -16.561  -4.621  12.701
  234    HB2  LEU  29           HB2      LEU  29 -17.565  -4.801  10.471
  235    HB3  LEU  29           HB1      LEU  29 -19.097  -4.210  11.115
  236    HG   LEU  29           HG       LEU  29 -16.779  -2.466  11.779
  237   HD11  LEU  29          HD11      LEU  29 -15.950  -2.943   9.618
  238   HD12  LEU  29          HD12      LEU  29 -16.862  -1.445   9.421
  239   HD13  LEU  29          HD13      LEU  29 -17.565  -2.982   8.915
  240   HD21  LEU  29          HD21      LEU  29 -18.369  -0.705  11.157
  241   HD22  LEU  29          HD22      LEU  29 -19.181  -1.888  12.182
  242   HD23  LEU  29          HD23      LEU  29 -19.447  -1.900  10.440
  243    H    ASP  30           HN       ASP  30 -20.053  -4.636  13.330
  244    HA   ASP  30           HA       ASP  30 -20.146  -2.147  14.662
  245    HB2  ASP  30           HB2      ASP  30 -22.148  -3.310  13.796
  246    HB3  ASP  30           HB1      ASP  30 -21.952  -4.544  15.040
  247    H    GLN  31           HN       GLN  31 -19.538  -5.435  15.800
  248    HA   GLN  31           HA       GLN  31 -19.715  -4.979  18.552
  249    HB2  GLN  31           HB2      GLN  31 -19.528  -7.225  17.479
  250    HB3  GLN  31           HB1      GLN  31 -17.831  -6.888  17.147
  251    HG2  GLN  31           HG2      GLN  31 -17.978  -8.187  19.189
  252    HG3  GLN  31           HG1      GLN  31 -17.476  -6.551  19.607
  253   HE21  GLN  31          HE21      GLN  31 -18.433  -6.299  21.658
  254   HE22  GLN  31          HE22      GLN  31 -20.096  -6.467  21.952
  255    H    LEU  32           HN       LEU  32 -17.084  -4.411  16.284
  256    HA   LEU  32           HA       LEU  32 -15.036  -3.928  18.157
  257    HB2  LEU  32           HB2      LEU  32 -15.487  -2.872  15.361
  258    HB3  LEU  32           HB1      LEU  32 -14.008  -2.581  16.279
  259    HG   LEU  32           HG       LEU  32 -15.120  -5.347  15.697
  260   HD11  LEU  32          HD11      LEU  32 -14.468  -4.179  13.616
  261   HD12  LEU  32          HD12      LEU  32 -13.372  -5.512  13.982
  262   HD13  LEU  32          HD13      LEU  32 -12.881  -3.852  14.311
  263   HD21  LEU  32          HD21      LEU  32 -13.688  -5.624  17.530
  264   HD22  LEU  32          HD22      LEU  32 -12.637  -4.294  17.046
  265   HD23  LEU  32          HD23      LEU  32 -12.571  -5.832  16.190
  266    H    ASP  33           HN       ASP  33 -17.500  -1.819  16.774
  267    HA   ASP  33           HA       ASP  33 -16.532   0.616  17.816
  268    HB2  ASP  33           HB2      ASP  33 -18.313   0.415  16.092
  269    HB3  ASP  33           HB1      ASP  33 -19.411  -0.177  17.339
  270    H    LEU  34           HN       LEU  34 -18.659  -1.854  19.176
  271    HA   LEU  34           HA       LEU  34 -19.339  -0.456  21.546
  272    HB2  LEU  34           HB2      LEU  34 -19.450  -3.310  20.639
  273    HB3  LEU  34           HB1      LEU  34 -19.667  -2.975  22.360
  274    HG   LEU  34           HG       LEU  34 -21.812  -3.019  21.035
  275   HD11  LEU  34          HD11      LEU  34 -21.150  -1.401  23.145
  276   HD12  LEU  34          HD12      LEU  34 -22.758  -1.457  22.428
  277   HD13  LEU  34          HD13      LEU  34 -21.631  -0.185  21.959
  278   HD21  LEU  34          HD21      LEU  34 -22.283  -1.415  19.372
  279   HD22  LEU  34          HD22      LEU  34 -20.607  -1.839  19.039
  280   HD23  LEU  34          HD23      LEU  34 -20.981  -0.348  19.898
  281    H    VAL  35           HN       VAL  35 -16.680  -2.602  20.718
  282    HA   VAL  35           HA       VAL  35 -15.641  -3.057  23.252
  283    HB   VAL  35           HB       VAL  35 -14.227  -2.703  20.605
  284   HG11  VAL  35          HG11      VAL  35 -13.207  -3.543  23.318
  285   HG12  VAL  35          HG12      VAL  35 -12.529  -2.346  22.214
  286   HG13  VAL  35          HG13      VAL  35 -12.414  -4.064  21.832
  287   HG21  VAL  35          HG21      VAL  35 -15.952  -4.607  21.060
  288   HG22  VAL  35          HG22      VAL  35 -14.707  -5.266  22.120
  289   HG23  VAL  35          HG23      VAL  35 -14.376  -5.047  20.403
  290    H    HIS  36           HN       HIS  36 -15.720  -0.149  21.387
  291    HA   HIS  36           HA       HIS  36 -13.568   1.153  22.826
  292    HB2  HIS  36           HB2      HIS  36 -14.171   1.692  20.453
  293    HB3  HIS  36           HB1      HIS  36 -15.677   2.391  21.048
  294    HD2  HIS  36           HD2      HIS  36 -15.418   5.050  21.746
  295    HE1  HIS  36           HE1      HIS  36 -11.223   5.143  22.203
  296    HE2  HIS  36           HE2      HIS  36 -13.338   6.547  22.242
  297    H    GLN  37           HN       GLN  37 -17.121   1.391  22.731
  298    HA   GLN  37           HA       GLN  37 -17.162   3.268  24.946
  299    HB2  GLN  37           HB2      GLN  37 -19.388   1.824  23.486
  300    HB3  GLN  37           HB1      GLN  37 -19.626   3.071  24.710
  301    HG2  GLN  37           HG2      GLN  37 -18.049   3.474  22.154
  302    HG3  GLN  37           HG1      GLN  37 -19.732   3.953  22.364
  303   HE21  GLN  37          HE21      GLN  37 -17.326   5.712  21.927
  304   HE22  GLN  37          HE22      GLN  37 -17.302   6.769  23.255
  305    H    ALA  38           HN       ALA  38 -17.273  -0.146  24.498
  306    HA   ALA  38           HA       ALA  38 -18.637  -0.790  26.940
  307    HB1  ALA  38           HB1      ALA  38 -17.788  -3.086  26.491
  308    HB2  ALA  38           HB2      ALA  38 -16.884  -2.447  25.120
  309    HB3  ALA  38           HB3      ALA  38 -18.646  -2.388  25.118
  310    H    LYS  39           HN       LYS  39 -17.794  -1.333  28.909
  311    HA   LYS  39           HA       LYS  39 -14.876  -1.322  29.277
  312    HB2  LYS  39           HB2      LYS  39 -16.839   0.536  30.621
  313    HB3  LYS  39           HB1      LYS  39 -15.268   0.170  31.328
  314    HG2  LYS  39           HG2      LYS  39 -15.468   1.138  28.475
  315    HG3  LYS  39           HG1      LYS  39 -15.486   2.286  29.813
  316    HD2  LYS  39           HD2      LYS  39 -13.343   1.347  30.632
  317    HD3  LYS  39           HD1      LYS  39 -13.304   0.247  29.256
  318    HE2  LYS  39           HE2      LYS  39 -13.312   2.165  27.717
  319    HE3  LYS  39           HE1      LYS  39 -13.330   3.266  29.096
  320    HZ1  LYS  39           HZ1      LYS  39 -11.162   2.988  29.409
  321    HZ2  LYS  39           HZ2      LYS  39 -11.112   2.222  27.894
  322    HZ3  LYS  39           HZ3      LYS  39 -11.273   1.299  29.311
  323    H    GLY  40           HN       GLY  40 -14.147  -2.502  30.985
  324    HA2  GLY  40           HA2      GLY  40 -14.187  -4.050  32.691
  325    HA3  GLY  40           HA1      GLY  40 -15.823  -3.511  33.057
  326    H    ARG  41           HN       ARG  41 -17.158  -5.195  33.039
  327    HA   ARG  41           HA       ARG  41 -16.668  -7.648  31.781
  328    HB2  ARG  41           HB2      ARG  41 -18.436  -6.849  33.644
  329    HB3  ARG  41           HB1      ARG  41 -19.509  -6.821  32.246
  330    HG2  ARG  41           HG2      ARG  41 -17.842  -9.181  33.167
  331    HG3  ARG  41           HG1      ARG  41 -19.591  -9.025  33.331
  332    HD2  ARG  41           HD2      ARG  41 -19.571  -8.699  30.743
  333    HD3  ARG  41           HD1      ARG  41 -17.952  -9.387  30.831
  334    HE   ARG  41           HE       ARG  41 -20.460 -10.785  31.321
  335   HH11  ARG  41          HH21      ARG  41 -17.008 -10.711  31.581
  336   HH12  ARG  41          HH22      ARG  41 -16.848 -12.428  31.737
  337   HH21  ARG  41          HH11      ARG  41 -20.256 -13.030  31.526
  338   HH22  ARG  41          HH12      ARG  41 -18.688 -13.741  31.708
  339    H    ASP  42           HN       ASP  42 -18.593  -4.864  30.735
  340    HA   ASP  42           HA       ASP  42 -19.766  -5.974  28.463
  341    HB2  ASP  42           HB2      ASP  42 -20.298  -3.731  29.417
  342    HB3  ASP  42           HB1      ASP  42 -18.767  -3.135  28.776
  343    H    GLN  43           HN       GLN  43 -16.608  -4.381  28.836
  344    HA   GLN  43           HA       GLN  43 -15.874  -4.565  26.095
  345    HB2  GLN  43           HB2      GLN  43 -14.804  -3.023  27.706
  346    HB3  GLN  43           HB1      GLN  43 -14.077  -4.406  28.523
  347    HG2  GLN  43           HG2      GLN  43 -12.901  -5.026  26.453
  348    HG3  GLN  43           HG1      GLN  43 -13.655  -3.672  25.612
  349   HE21  GLN  43          HE21      GLN  43 -12.297  -1.895  25.473
  350   HE22  GLN  43          HE22      GLN  43 -11.117  -1.476  26.619
  351    H    ILE  44           HN       ILE  44 -15.366  -6.659  28.894
  352    HA   ILE  44           HA       ILE  44 -13.620  -8.504  27.642
  353    HB   ILE  44           HB       ILE  44 -15.506  -8.814  29.990
  354   HG12  ILE  44          HG12      ILE  44 -12.483  -8.589  29.907
  355   HG13  ILE  44          HG11      ILE  44 -13.544  -7.193  30.117
  356   HG21  ILE  44          HG21      ILE  44 -13.966 -10.810  30.481
  357   HG22  ILE  44          HG22      ILE  44 -13.448 -10.687  28.801
  358   HG23  ILE  44          HG23      ILE  44 -15.135 -11.031  29.179
  359   HD11  ILE  44          HD11      ILE  44 -13.734  -9.628  31.899
  360   HD12  ILE  44          HD12      ILE  44 -14.392  -8.018  32.183
  361   HD13  ILE  44          HD13      ILE  44 -12.653  -8.284  32.264
  362    H    ALA  45           HN       ALA  45 -17.149  -8.418  28.017
  363    HA   ALA  45           HA       ALA  45 -17.784 -10.917  26.982
  364    HB1  ALA  45           HB1      ALA  45 -19.499  -9.543  27.972
  365    HB2  ALA  45           HB2      ALA  45 -19.951  -9.836  26.291
  366    HB3  ALA  45           HB3      ALA  45 -19.257  -8.284  26.761
  367    H    ALA  46           HN       ALA  46 -17.162  -7.870  25.272
  368    HA   ALA  46           HA       ALA  46 -17.777  -8.780  22.668
  369    HB1  ALA  46           HB1      ALA  46 -17.563  -6.402  23.212
  370    HB2  ALA  46           HB2      ALA  46 -16.438  -6.842  21.926
  371    HB3  ALA  46           HB3      ALA  46 -15.853  -6.630  23.576
  372    H    SER  47           HN       SER  47 -14.812  -8.830  24.598
  373    HA   SER  47           HA       SER  47 -13.078  -9.701  22.563
  374    HB2  SER  47           HB2      SER  47 -12.472  -8.816  24.886
  375    HB3  SER  47           HB1      SER  47 -12.792 -10.444  25.469
  376    HG   SER  47           HG       SER  47 -10.911 -10.981  24.728
  377    H    PHE  48           HN       PHE  48 -14.983 -11.497  24.948
  378    HA   PHE  48           HA       PHE  48 -14.086 -14.080  24.270
  379    HB2  PHE  48           HB2      PHE  48 -15.356 -13.562  26.329
  380    HB3  PHE  48           HB1      PHE  48 -16.792 -13.258  25.352
  381    HD1  PHE  48           HD1      PHE  48 -14.229 -15.872  26.119
  382    HD2  PHE  48           HD2      PHE  48 -18.203 -15.043  24.709
  383    HE1  PHE  48           HE1      PHE  48 -14.736 -18.300  26.116
  384    HE2  PHE  48           HE2      PHE  48 -18.707 -17.470  24.707
  385    HZ   PHE  48           HZ       PHE  48 -16.974 -19.098  25.411
  386    H    GLU  49           HN       GLU  49 -16.833 -12.159  23.086
  387    HA   GLU  49           HA       GLU  49 -17.878 -14.157  21.370
  388    HB2  GLU  49           HB2      GLU  49 -19.067 -12.069  22.156
  389    HB3  GLU  49           HB1      GLU  49 -18.104 -11.172  20.982
  390    HG2  GLU  49           HG2      GLU  49 -20.165 -11.697  19.885
  391    HG3  GLU  49           HG1      GLU  49 -18.963 -12.801  19.220
  392    H    LEU  50           HN       LEU  50 -15.820 -11.327  20.697
  393    HA   LEU  50           HA       LEU  50 -15.440 -11.859  17.955
  394    HB2  LEU  50           HB2      LEU  50 -13.749 -10.342  19.946
  395    HB3  LEU  50           HB1      LEU  50 -13.417 -10.378  18.214
  396    HG   LEU  50           HG       LEU  50 -16.065  -9.512  19.407
  397   HD11  LEU  50          HD11      LEU  50 -15.334  -7.206  18.932
  398   HD12  LEU  50          HD12      LEU  50 -13.763  -7.808  18.410
  399   HD13  LEU  50          HD13      LEU  50 -14.257  -7.980  20.095
  400   HD21  LEU  50          HD21      LEU  50 -16.579 -10.015  17.191
  401   HD22  LEU  50          HD22      LEU  50 -14.944  -9.691  16.618
  402   HD23  LEU  50          HD23      LEU  50 -16.032  -8.354  16.988
  403    H    ASN  51           HN       ASN  51 -13.755 -12.976  20.823
  404    HA   ASN  51           HA       ASN  51 -11.430 -13.994  19.724
  405    HB2  ASN  51           HB2      ASN  51 -11.805 -14.021  22.117
  406    HB3  ASN  51           HB1      ASN  51 -13.160 -15.132  21.931
  407   HD21  ASN  51          HD21      ASN  51 -11.718 -16.479  23.483
  408   HD22  ASN  51          HD22      ASN  51 -10.552 -17.483  22.766
  409    H    LYS  52           HN       LYS  52 -14.656 -15.477  19.845
  410    HA   LYS  52           HA       LYS  52 -13.917 -17.972  18.739
  411    HB2  LYS  52           HB2      LYS  52 -16.522 -16.459  18.772
  412    HB3  LYS  52           HB1      LYS  52 -16.369 -18.084  18.103
  413    HG2  LYS  52           HG2      LYS  52 -15.448 -18.861  20.286
  414    HG3  LYS  52           HG1      LYS  52 -15.724 -17.249  20.947
  415    HD2  LYS  52           HD2      LYS  52 -17.951 -18.847  19.672
  416    HD3  LYS  52           HD1      LYS  52 -17.557 -19.012  21.382
  417    HE2  LYS  52           HE2      LYS  52 -17.806 -16.469  21.538
  418    HE3  LYS  52           HE1      LYS  52 -18.518 -16.537  19.925
  419    HZ1  LYS  52           HZ1      LYS  52 -20.285 -16.656  21.438
  420    HZ2  LYS  52           HZ2      LYS  52 -19.499 -17.807  22.409
  421    HZ3  LYS  52           HZ3      LYS  52 -20.074 -18.241  20.869
  422    H    LYS  53           HN       LYS  53 -15.124 -14.984  17.235
  423    HA   LYS  53           HA       LYS  53 -15.192 -15.984  14.585
  424    HB2  LYS  53           HB2      LYS  53 -15.087 -13.226  15.786
  425    HB3  LYS  53           HB1      LYS  53 -14.984 -13.446  14.040
  426    HG2  LYS  53           HG2      LYS  53 -17.315 -13.059  14.832
  427    HG3  LYS  53           HG1      LYS  53 -17.119 -14.617  14.028
  428    HD2  LYS  53           HD2      LYS  53 -17.190 -15.817  16.051
  429    HD3  LYS  53           HD1      LYS  53 -16.811 -14.393  17.016
  430    HE2  LYS  53           HE2      LYS  53 -18.983 -13.426  16.526
  431    HE3  LYS  53           HE1      LYS  53 -19.374 -14.772  15.454
  432    HZ1  LYS  53           HZ1      LYS  53 -19.359 -16.272  17.274
  433    HZ2  LYS  53           HZ2      LYS  53 -20.310 -14.946  17.747
  434    HZ3  LYS  53           HZ3      LYS  53 -18.722 -15.107  18.329
  435    H    ILE  54           HN       ILE  54 -12.703 -14.205  16.400
  436    HA   ILE  54           HA       ILE  54 -10.867 -14.018  14.244
  437    HB   ILE  54           HB       ILE  54 -10.472 -13.930  17.246
  438   HG12  ILE  54          HG12      ILE  54 -10.403 -11.711  15.181
  439   HG13  ILE  54          HG11      ILE  54 -11.850 -12.133  16.096
  440   HG21  ILE  54          HG21      ILE  54  -8.541 -13.455  14.962
  441   HG22  ILE  54          HG22      ILE  54  -8.345 -14.547  16.333
  442   HG23  ILE  54          HG23      ILE  54  -8.275 -12.801  16.578
  443   HD11  ILE  54          HD11      ILE  54 -10.509 -11.789  18.210
  444   HD12  ILE  54          HD12      ILE  54 -10.756 -10.320  17.263
  445   HD13  ILE  54          HD13      ILE  54  -9.205 -11.157  17.204
  446    H    ASN  55           HN       ASN  55 -11.188 -16.323  16.935
  447    HA   ASN  55           HA       ASN  55  -8.938 -17.894  16.267
  448    HB2  ASN  55           HB2      ASN  55 -11.442 -18.414  17.861
  449    HB3  ASN  55           HB1      ASN  55 -10.263 -19.695  17.588
  450   HD21  ASN  55          HD21      ASN  55 -10.411 -19.170  20.183
  451   HD22  ASN  55          HD22      ASN  55  -9.170 -18.148  20.727
  452    H    ASP  56           HN       ASP  56 -12.354 -18.125  15.372
  453    HA   ASP  56           HA       ASP  56 -12.161 -20.554  13.932
  454    HB2  ASP  56           HB2      ASP  56 -14.306 -19.598  14.692
  455    HB3  ASP  56           HB1      ASP  56 -14.109 -18.269  13.550
  456    H    TYR  57           HN       TYR  57 -11.754 -17.176  13.009
  457    HA   TYR  57           HA       TYR  57 -11.670 -17.459  10.234
  458    HB2  TYR  57           HB2      TYR  57 -11.655 -15.299  11.585
  459    HB3  TYR  57           HB1      TYR  57  -9.924 -15.557  11.802
  460    HD1  TYR  57           HD1      TYR  57 -12.597 -15.060   9.274
  461    HD2  TYR  57           HD2      TYR  57  -8.368 -15.154  10.021
  462    HE1  TYR  57           HE1      TYR  57 -12.180 -14.100   7.026
  463    HE2  TYR  57           HE2      TYR  57  -7.953 -14.192   7.771
  464    HH   TYR  57           HH       TYR  57  -9.714 -14.278   5.383
  465    H    ILE  58           HN       ILE  58  -9.158 -17.948  12.672
  466    HA   ILE  58           HA       ILE  58  -6.965 -18.242  10.926
  467    HB   ILE  58           HB       ILE  58  -7.505 -19.415  13.666
  468   HG12  ILE  58          HG12      ILE  58  -5.677 -17.152  12.818
  469   HG13  ILE  58          HG11      ILE  58  -7.337 -16.896  13.366
  470   HG21  ILE  58          HG21      ILE  58  -5.050 -19.478  11.898
  471   HG22  ILE  58          HG22      ILE  58  -5.843 -20.828  12.705
  472   HG23  ILE  58          HG23      ILE  58  -4.939 -19.645  13.651
  473   HD11  ILE  58          HD11      ILE  58  -6.752 -18.124  15.481
  474   HD12  ILE  58          HD12      ILE  58  -5.860 -16.618  15.270
  475   HD13  ILE  58          HD13      ILE  58  -5.075 -18.162  14.939
  476    H    ALA  59           HN       ALA  59  -9.266 -20.611  12.235
  477    HA   ALA  59           HA       ALA  59  -8.075 -22.913  11.123
  478    HB1  ALA  59           HB1      ALA  59 -10.224 -23.994  11.510
  479    HB2  ALA  59           HB2      ALA  59 -11.006 -22.423  11.700
  480    HB3  ALA  59           HB3      ALA  59  -9.817 -22.966  12.884
  481    H    GLU  60           HN       GLU  60 -10.309 -20.534   9.822
  482    HA   GLU  60           HA       GLU  60 -10.999 -21.987   7.464
  483    HB2  GLU  60           HB2      GLU  60 -11.123 -19.045   8.143
  484    HB3  GLU  60           HB1      GLU  60 -11.737 -19.726   6.636
  485    HG2  GLU  60           HG2      GLU  60 -13.270 -21.169   7.868
  486    HG3  GLU  60           HG1      GLU  60 -12.612 -20.601   9.401
  487    H    HIS  61           HN       HIS  61  -8.177 -20.379   8.453
  488    HA   HIS  61           HA       HIS  61  -7.106 -20.539   5.706
  489    HB2  HIS  61           HB2      HIS  61  -7.716 -18.141   6.468
  490    HB3  HIS  61           HB1      HIS  61  -6.342 -18.286   7.563
  491    HD2  HIS  61           HD2      HIS  61  -5.035 -20.198   4.736
  492    HE1  HIS  61           HE1      HIS  61  -4.344 -16.214   3.534
  493    HE2  HIS  61           HE2      HIS  61  -3.764 -18.643   3.074
  494    HA   PRO  62           HA       PRO  62  -4.627 -22.867   8.937
  495    HB2  PRO  62           HB2      PRO  62  -4.230 -24.532   6.477
  496    HB3  PRO  62           HB1      PRO  62  -4.573 -25.045   8.142
  497    HG2  PRO  62           HG2      PRO  62  -6.461 -25.111   6.263
  498    HG3  PRO  62           HG1      PRO  62  -6.839 -24.657   7.935
  499    HD2  PRO  62           HD2      PRO  62  -6.580 -22.902   5.519
  500    HD3  PRO  62           HD1      PRO  62  -7.668 -22.750   6.916
  501    H    THR  63           HN       THR  63  -3.933 -22.005   5.573
  502    HA   THR  63           HA       THR  63  -1.097 -22.163   5.801
  503    HB   THR  63           HB       THR  63  -1.040 -21.093   3.640
  504    HG1  THR  63           HG1      THR  63  -2.446 -19.433   3.864
  505   HG21  THR  63          HG21      THR  63  -2.417 -22.598   2.389
  506   HG22  THR  63          HG22      THR  63  -3.571 -22.745   3.714
  507   HG23  THR  63          HG23      THR  63  -1.962 -23.453   3.864
  508    H    SER  64           HN       SER  64  -3.398 -19.914   6.900
  509    HA   SER  64           HA       SER  64  -3.172 -17.944   8.062
  510    HB2  SER  64           HB2      SER  64  -0.176 -18.117   7.855
  511    HB3  SER  64           HB1      SER  64  -1.168 -17.500   9.175
  512    HG   SER  64           HG       SER  64  -0.769 -19.435   9.940
  513    H    GLY  65           HN       GLY  65  -1.774 -15.746   7.849
  514    HA2  GLY  65           HA2      GLY  65  -0.516 -14.560   5.948
  515    HA3  GLY  65           HA1      GLY  65  -1.909 -15.031   4.977
  516    H    ARG  66           HN       ARG  66  -4.017 -14.217   5.626
  517    HA   ARG  66           HA       ARG  66  -3.871 -11.436   6.400
  518    HB2  ARG  66           HB2      ARG  66  -6.287 -13.153   5.788
  519    HB3  ARG  66           HB1      ARG  66  -6.253 -11.394   5.877
  520    HG2  ARG  66           HG2      ARG  66  -4.497 -12.938   3.958
  521    HG3  ARG  66           HG1      ARG  66  -6.125 -12.419   3.525
  522    HD2  ARG  66           HD2      ARG  66  -5.435 -10.061   4.140
  523    HD3  ARG  66           HD1      ARG  66  -3.785 -10.652   4.305
  524    HE   ARG  66           HE       ARG  66  -5.258 -10.289   1.826
  525   HH11  ARG  66          HH21      ARG  66  -2.579 -11.721   3.486
  526   HH12  ARG  66          HH22      ARG  66  -1.621 -11.917   2.056
  527   HH21  ARG  66          HH11      ARG  66  -4.010 -10.537  -0.046
  528   HH22  ARG  66          HH12      ARG  66  -2.433 -11.246   0.054
  529    H    ASN  67           HN       ASN  67  -4.194 -14.338   8.046
  530    HA   ASN  67           HA       ASN  67  -6.044 -13.681  10.069
  531    HB2  ASN  67           HB2      ASN  67  -3.609 -15.466  10.274
  532    HB3  ASN  67           HB1      ASN  67  -5.007 -15.476  11.347
  533   HD21  ASN  67          HD21      ASN  67  -6.494 -14.838   8.558
  534   HD22  ASN  67          HD22      ASN  67  -6.755 -16.404   7.959
  535    H    GLN  68           HN       GLN  68  -2.571 -13.096   9.747
  536    HA   GLN  68           HA       GLN  68  -1.834 -12.295  12.252
  537    HB2  GLN  68           HB2      GLN  68  -1.137 -11.038   9.592
  538    HB3  GLN  68           HB1      GLN  68  -0.331 -10.623  11.104
  539    HG2  GLN  68           HG2      GLN  68   0.360 -12.950  11.409
  540    HG3  GLN  68           HG1      GLN  68  -0.505 -13.420   9.948
  541   HE21  GLN  68          HE21      GLN  68   1.976 -14.130   9.588
  542   HE22  GLN  68          HE22      GLN  68   2.912 -12.994   8.742
  543    H    ALA  69           HN       ALA  69  -4.164 -10.792  10.200
  544    HA   ALA  69           HA       ALA  69  -4.102  -8.225  11.558
  545    HB1  ALA  69           HB1      ALA  69  -6.242  -9.291   9.712
  546    HB2  ALA  69           HB2      ALA  69  -4.748  -8.551   9.134
  547    HB3  ALA  69           HB3      ALA  69  -5.887  -7.607  10.094
  548    H    LEU  70           HN       LEU  70  -6.633 -10.718  11.168
  549    HA   LEU  70           HA       LEU  70  -8.238  -9.742  13.286
  550    HB2  LEU  70           HB2      LEU  70  -8.131 -12.412  11.881
  551    HB3  LEU  70           HB1      LEU  70  -9.336 -12.021  13.110
  552    HG   LEU  70           HG       LEU  70  -8.873 -10.282  10.674
  553   HD11  LEU  70          HD11      LEU  70  -9.523 -12.365   9.736
  554   HD12  LEU  70          HD12      LEU  70 -11.011 -11.423   9.833
  555   HD13  LEU  70          HD13      LEU  70 -10.681 -12.675  11.030
  556   HD21  LEU  70          HD21      LEU  70 -10.121  -9.026  12.230
  557   HD22  LEU  70          HD22      LEU  70 -10.968 -10.443  12.848
  558   HD23  LEU  70          HD23      LEU  70 -11.390  -9.780  11.270
  559    H    THR  71           HN       THR  71  -5.812 -12.299  13.124
  560    HA   THR  71           HA       THR  71  -6.180 -13.368  15.688
  561    HB   THR  71           HB       THR  71  -3.652 -13.155  14.040
  562    HG1  THR  71           HG1      THR  71  -4.484 -14.749  12.981
  563   HG21  THR  71          HG21      THR  71  -4.363 -14.763  16.501
  564   HG22  THR  71          HG22      THR  71  -3.021 -13.635  16.301
  565   HG23  THR  71          HG23      THR  71  -3.013 -15.176  15.444
  566    H    GLN  72           HN       GLN  72  -4.078 -10.732  14.576
  567    HA   GLN  72           HA       GLN  72  -2.869 -10.218  17.083
  568    HB2  GLN  72           HB2      GLN  72  -3.260  -8.610  14.571
  569    HB3  GLN  72           HB1      GLN  72  -2.520  -7.880  15.996
  570    HG2  GLN  72           HG2      GLN  72  -0.778  -9.575  16.020
  571    HG3  GLN  72           HG1      GLN  72  -1.549 -10.444  14.696
  572   HE21  GLN  72          HE21      GLN  72   1.180  -9.186  14.760
  573   HE22  GLN  72          HE22      GLN  72   1.194  -8.073  13.479
  574    H    LEU  73           HN       LEU  73  -5.944  -9.318  15.717
  575    HA   LEU  73           HA       LEU  73  -6.514  -7.096  17.341
  576    HB2  LEU  73           HB2      LEU  73  -7.797  -8.229  15.270
  577    HB3  LEU  73           HB1      LEU  73  -8.740  -8.954  16.570
  578    HG   LEU  73           HG       LEU  73  -8.242  -5.993  16.191
  579   HD11  LEU  73          HD11      LEU  73 -10.437  -5.821  15.387
  580   HD12  LEU  73          HD12      LEU  73 -10.895  -7.410  16.002
  581   HD13  LEU  73          HD13      LEU  73  -9.840  -7.276  14.595
  582   HD21  LEU  73          HD21      LEU  73 -10.173  -5.995  17.986
  583   HD22  LEU  73          HD22      LEU  73  -8.506  -6.236  18.504
  584   HD23  LEU  73          HD23      LEU  73  -9.585  -7.621  18.346
  585    H    LYS  74           HN       LYS  74  -7.054 -10.566  17.822
  586    HA   LYS  74           HA       LYS  74  -8.502 -10.403  20.228
  587    HB2  LYS  74           HB2      LYS  74  -8.314 -12.474  18.924
  588    HB3  LYS  74           HB1      LYS  74  -6.594 -12.565  19.302
  589    HG2  LYS  74           HG2      LYS  74  -7.102 -12.760  21.695
  590    HG3  LYS  74           HG1      LYS  74  -8.825 -12.582  21.360
  591    HD2  LYS  74           HD2      LYS  74  -8.769 -14.644  20.005
  592    HD3  LYS  74           HD1      LYS  74  -7.050 -14.823  20.360
  593    HE2  LYS  74           HE2      LYS  74  -9.205 -14.690  22.484
  594    HE3  LYS  74           HE1      LYS  74  -8.534 -16.197  21.858
  595    HZ1  LYS  74           HZ1      LYS  74  -7.517 -14.619  23.885
  596    HZ2  LYS  74           HZ2      LYS  74  -6.460 -14.410  22.571
  597    HZ3  LYS  74           HZ3      LYS  74  -6.781 -15.968  23.169
  598    H    GLU  75           HN       GLU  75  -5.007 -10.735  19.647
  599    HA   GLU  75           HA       GLU  75  -4.218 -10.845  22.346
  600    HB2  GLU  75           HB2      GLU  75  -2.756  -9.851  19.887
  601    HB3  GLU  75           HB1      GLU  75  -1.993 -10.064  21.464
  602    HG2  GLU  75           HG2      GLU  75  -2.583 -12.443  21.457
  603    HG3  GLU  75           HG1      GLU  75  -3.420 -12.247  19.917
  604    H    GLN  76           HN       GLN  76  -4.927  -8.135  20.209
  605    HA   GLN  76           HA       GLN  76  -3.847  -6.078  21.823
  606    HB2  GLN  76           HB2      GLN  76  -4.545  -5.826  19.438
  607    HB3  GLN  76           HB1      GLN  76  -6.227  -5.908  19.962
  608    HG2  GLN  76           HG2      GLN  76  -5.870  -3.939  21.411
  609    HG3  GLN  76           HG1      GLN  76  -4.193  -3.851  20.873
  610   HE21  GLN  76          HE21      GLN  76  -3.879  -2.394  19.195
  611   HE22  GLN  76          HE22      GLN  76  -5.053  -1.955  18.052
  612    H    VAL  77           HN       VAL  77  -7.229  -7.183  21.477
  613    HA   VAL  77           HA       VAL  77  -8.261  -5.606  23.580
  614    HB   VAL  77           HB       VAL  77  -9.267  -8.205  22.399
  615   HG11  VAL  77          HG11      VAL  77 -11.474  -7.339  23.370
  616   HG12  VAL  77          HG12      VAL  77 -10.497  -6.238  24.342
  617   HG13  VAL  77          HG13      VAL  77 -10.314  -7.980  24.534
  618   HG21  VAL  77          HG21      VAL  77 -10.838  -6.642  21.227
  619   HG22  VAL  77          HG22      VAL  77  -9.152  -6.391  20.774
  620   HG23  VAL  77          HG23      VAL  77  -9.935  -5.286  21.904
  621    H    THR  78           HN       THR  78  -7.106  -8.961  23.490
  622    HA   THR  78           HA       THR  78  -7.700  -9.642  26.149
  623    HB   THR  78           HB       THR  78  -5.343 -10.663  24.555
  624    HG1  THR  78           HG1      THR  78  -6.840 -12.163  23.739
  625   HG21  THR  78          HG21      THR  78  -5.496 -11.330  26.944
  626   HG22  THR  78          HG22      THR  78  -5.721 -12.698  25.855
  627   HG23  THR  78          HG23      THR  78  -7.116 -11.960  26.644
  628    H    SER  79           HN       SER  79  -4.805  -8.186  24.712
  629    HA   SER  79           HA       SER  79  -3.211  -8.169  27.035
  630    HB2  SER  79           HB2      SER  79  -2.315  -7.752  24.773
  631    HB3  SER  79           HB1      SER  79  -3.192  -6.226  24.712
  632    HG   SER  79           HG       SER  79  -1.932  -5.448  26.351
  633    H    ALA  80           HN       ALA  80  -5.569  -5.855  25.765
  634    HA   ALA  80           HA       ALA  80  -5.102  -3.719  27.492
  635    HB1  ALA  80           HB1      ALA  80  -6.697  -3.836  25.495
  636    HB2  ALA  80           HB2      ALA  80  -7.256  -2.931  26.902
  637    HB3  ALA  80           HB3      ALA  80  -7.855  -4.563  26.608
  638    H    LEU  81           HN       LEU  81  -7.051  -6.632  27.962
  639    HA   LEU  81           HA       LEU  81  -8.148  -5.880  30.473
  640    HB2  LEU  81           HB2      LEU  81  -7.618  -8.662  29.412
  641    HB3  LEU  81           HB1      LEU  81  -8.754  -8.224  30.690
  642    HG   LEU  81           HG       LEU  81  -8.888  -7.238  27.825
  643   HD11  LEU  81          HD11      LEU  81 -10.364  -9.423  29.320
  644   HD12  LEU  81          HD12      LEU  81  -9.470  -9.563  27.806
  645   HD13  LEU  81          HD13      LEU  81 -11.004  -8.695  27.848
  646   HD21  LEU  81          HD21      LEU  81 -11.312  -6.683  28.748
  647   HD22  LEU  81          HD22      LEU  81  -9.976  -5.580  29.064
  648   HD23  LEU  81          HD23      LEU  81 -10.501  -6.704  30.318
  649    H    GLY  82           HN       GLY  82  -5.119  -7.349  29.507
  650    HA2  GLY  82           HA2      GLY  82  -3.165  -7.620  30.705
  651    HA3  GLY  82           HA1      GLY  82  -3.935  -6.803  32.061
  652    H    LEU  83           HN       LEU  83  -5.373  -9.600  30.540
  653    HA   LEU  83           HA       LEU  83  -5.616 -11.011  32.981
  654    HB2  LEU  83           HB2      LEU  83  -5.909 -11.871  30.102
  655    HB3  LEU  83           HB1      LEU  83  -6.253 -12.940  31.462
  656    HG   LEU  83           HG       LEU  83  -7.521 -10.207  31.162
  657   HD11  LEU  83          HD11      LEU  83  -8.213 -11.448  29.221
  658   HD12  LEU  83          HD12      LEU  83  -9.546 -11.503  30.374
  659   HD13  LEU  83          HD13      LEU  83  -8.490 -12.902  30.181
  660   HD21  LEU  83          HD21      LEU  83  -7.869 -10.855  33.382
  661   HD22  LEU  83          HD22      LEU  83  -7.913 -12.573  32.993
  662   HD23  LEU  83          HD23      LEU  83  -9.295 -11.545  32.614
  663    H    GLU  84           HN       GLU  84  -3.354 -11.289  30.282
  664    HA   GLU  84           HA       GLU  84  -1.362 -12.408  30.072
  665    HB2  GLU  84           HB2      GLU  84  -1.400 -12.039  33.078
  666    HB3  GLU  84           HB1      GLU  84   0.002 -12.582  32.158
  667    HG2  GLU  84           HG2      GLU  84  -1.455  -9.972  31.657
  668    HG3  GLU  84           HG1      GLU  84   0.012 -10.117  32.623
  669    H    HIS  85           HN       HIS  85  -0.068 -14.350  31.344
  670    HA   HIS  85           HA       HIS  85  -1.841 -16.621  31.021
  671    HB2  HIS  85           HB2      HIS  85   1.107 -16.411  31.668
  672    HB3  HIS  85           HB1      HIS  85   0.250 -17.935  31.444
  673    HD2  HIS  85           HD2      HIS  85  -1.342 -15.762  28.901
  674    HE1  HIS  85           HE1      HIS  85   2.108 -17.209  26.946
  675    HE2  HIS  85           HE2      HIS  85  -0.124 -16.048  26.610
  676    H    HIS  86           HN       HIS  86   0.538 -17.297  33.292
  677    HA   HIS  86           HA       HIS  86  -1.042 -16.680  35.655
  678    HB2  HIS  86           HB2      HIS  86  -1.211 -19.036  36.365
  679    HB3  HIS  86           HB1      HIS  86  -2.109 -18.746  34.876
  680    HD2  HIS  86           HD2      HIS  86   0.882 -20.882  36.123
  681    HE1  HIS  86           HE1      HIS  86   0.622 -21.426  31.945
  682    HE2  HIS  86           HE2      HIS  86   1.737 -22.252  34.071
  683    H    HIS  87           HN       HIS  87   0.130 -16.929  37.586
  684    HA   HIS  87           HA       HIS  87   3.047 -17.043  37.202
  685    HB2  HIS  87           HB2      HIS  87   3.194 -15.968  39.364
  686    HB3  HIS  87           HB1      HIS  87   2.025 -15.094  38.376
  687    HD2  HIS  87           HD2      HIS  87   2.152 -16.996  41.734
  688    HE1  HIS  87           HE1      HIS  87  -1.919 -16.226  40.925
  689    HE2  HIS  87           HE2      HIS  87  -0.278 -17.032  42.688
  690    H    HIS  88           HN       HIS  88   4.223 -18.721  37.857
  691    HA   HIS  88           HA       HIS  88   3.351 -20.416  40.061
  692    HB2  HIS  88           HB2      HIS  88   3.506 -22.490  38.724
  693    HB3  HIS  88           HB1      HIS  88   2.195 -21.447  38.171
  694    HD2  HIS  88           HD2      HIS  88   5.349 -23.113  36.743
  695    HE1  HIS  88           HE1      HIS  88   4.143 -20.225  33.908
  696    HE2  HIS  88           HE2      HIS  88   5.685 -22.201  34.320
  697    H    HIS  89           HN       HIS  89   5.022 -21.723  40.893
  698    HA   HIS  89           HA       HIS  89   7.216 -21.924  41.605
  699    HB2  HIS  89           HB2      HIS  89   7.421 -22.393  38.624
  700    HB3  HIS  89           HB1      HIS  89   8.719 -22.746  39.765
  701    HD2  HIS  89           HD2      HIS  89   8.134 -24.901  41.595
  702    HE1  HIS  89           HE1      HIS  89   4.715 -26.231  39.504
  703    HE2  HIS  89           HE2      HIS  89   6.367 -26.808  41.345
  704    H    HIS  90           HN       HIS  90   7.192 -19.558  42.116
  705    HA   HIS  90           HA       HIS  90   8.088 -17.434  42.014
  706    HB2  HIS  90           HB2      HIS  90  10.051 -18.905  42.585
  707    HB3  HIS  90           HB1      HIS  90  10.473 -18.901  40.873
  708    HD2  HIS  90           HD2      HIS  90  10.367 -16.359  43.891
  709    HE1  HIS  90           HE1      HIS  90  12.425 -14.542  40.684
  710    HE2  HIS  90           HE2      HIS  90  11.766 -14.293  43.124
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1 -10.826  -1.450  26.710
    2    H2   MET   1           HT2      MET   1  -9.853  -2.842  26.760
    3    H3   MET   1           HT3      MET   1 -11.244  -2.740  27.730
    4    HA   MET   1           HA       MET   1 -12.613  -2.632  25.700
    5    HB2  MET   1           HB2      MET   1  -9.912  -3.167  24.440
    6    HB3  MET   1           HB1      MET   1 -11.438  -3.395  23.598
    7    HG2  MET   1           HG2      MET   1 -12.007  -1.019  24.012
    8    HG3  MET   1           HG1      MET   1 -10.446  -0.800  24.801
    9    HE1  MET   1           HE1      MET   1  -9.290   1.045  23.080
   10    HE2  MET   1           HE2      MET   1 -11.050   1.099  23.000
   11    HE3  MET   1           HE3      MET   1 -10.105   1.140  21.514
   12    H    GLY   2           HN       GLY   2 -12.288  -4.889  24.048
   13    HA2  GLY   2           HA2      GLY   2 -12.413  -7.045  26.062
   14    HA3  GLY   2           HA1      GLY   2 -13.186  -7.065  24.488
   15    H    GLN   3           HN       GLN   3 -12.078  -7.761  22.700
   16    HA   GLN   3           HA       GLN   3  -9.232  -8.393  23.000
   17    HB2  GLN   3           HB2      GLN   3 -11.235 -10.359  23.247
   18    HB3  GLN   3           HB1      GLN   3 -10.633 -10.564  21.614
   19    HG2  GLN   3           HG2      GLN   3  -9.189 -11.914  22.866
   20    HG3  GLN   3           HG1      GLN   3  -8.273 -10.425  22.700
   21   HE21  GLN   3          HE21      GLN   3  -7.485  -9.562  24.624
   22   HE22  GLN   3          HE22      GLN   3  -8.104  -9.917  26.164
   23    H    ILE   4           HN       ILE   4 -10.957  -6.492  21.460
   24    HA   ILE   4           HA       ILE   4  -9.814  -7.043  18.830
   25    HB   ILE   4           HB       ILE   4 -12.045  -5.989  17.958
   26   HG12  ILE   4          HG12      ILE   4 -13.963  -6.673  19.399
   27   HG13  ILE   4          HG11      ILE   4 -12.836  -7.148  20.648
   28   HG21  ILE   4          HG21      ILE   4 -11.288  -8.246  17.412
   29   HG22  ILE   4          HG22      ILE   4 -13.017  -8.230  17.746
   30   HG23  ILE   4          HG23      ILE   4 -11.894  -8.833  18.961
   31   HD11  ILE   4          HD11      ILE   4 -12.235  -4.982  21.162
   32   HD12  ILE   4          HD12      ILE   4 -13.908  -4.768  20.685
   33   HD13  ILE   4          HD13      ILE   4 -12.631  -4.365  19.552
   34    H    PHE   5           HN       PHE   5  -9.694  -5.166  17.431
   35    HA   PHE   5           HA       PHE   5  -9.215  -2.709  19.021
   36    HB2  PHE   5           HB2      PHE   5  -7.275  -3.751  17.851
   37    HB3  PHE   5           HB1      PHE   5  -8.080  -3.420  16.324
   38    HD1  PHE   5           HD2      PHE   5  -6.699  -1.830  19.398
   39    HD2  PHE   5           HD1      PHE   5  -8.110  -1.220  15.392
   40    HE1  PHE   5           HE2      PHE   5  -5.865   0.505  19.459
   41    HE2  PHE   5           HE1      PHE   5  -7.277   1.115  15.450
   42    HZ   PHE   5           HZ       PHE   5  -6.154   1.977  17.485
   43    H    THR   6           HN       THR   6  -9.408  -0.672  17.646
   44    HA   THR   6           HA       THR   6 -12.083  -0.294  16.925
   45    HB   THR   6           HB       THR   6  -9.827   1.374  15.811
   46    HG1  THR   6           HG1      THR   6  -9.856   2.436  17.831
   47   HG21  THR   6          HG21      THR   6 -12.542   2.122  16.924
   48   HG22  THR   6          HG22      THR   6 -12.222   1.850  15.212
   49   HG23  THR   6          HG23      THR   6 -11.425   3.175  16.058
   50    H    VAL   7           HN       VAL   7 -13.123  -0.095  14.940
   51    HA   VAL   7           HA       VAL   7 -12.411  -1.943  12.950
   52    HB   VAL   7           HB       VAL   7 -14.284  -1.081  11.696
   53   HG11  VAL   7          HG11      VAL   7 -16.026  -1.213  13.363
   54   HG12  VAL   7          HG12      VAL   7 -14.917  -0.712  14.635
   55   HG13  VAL   7          HG13      VAL   7 -14.725  -2.288  13.871
   56   HG21  VAL   7          HG21      VAL   7 -13.920   1.349  13.464
   57   HG22  VAL   7          HG22      VAL   7 -15.401   1.057  12.555
   58   HG23  VAL   7          HG23      VAL   7 -13.872   1.279  11.701
   59    H    GLN   8           HN       GLN   8 -11.525   1.363  13.431
   60    HA   GLN   8           HA       GLN   8 -10.963   2.250  10.874
   61    HB2  GLN   8           HB2      GLN   8 -10.735   3.600  12.962
   62    HB3  GLN   8           HB1      GLN   8  -9.245   2.728  13.320
   63    HG2  GLN   8           HG2      GLN   8  -8.260   3.510  11.206
   64    HG3  GLN   8           HG1      GLN   8  -9.754   4.361  10.817
   65   HE21  GLN   8          HE21      GLN   8  -9.601   6.551  11.291
   66   HE22  GLN   8          HE22      GLN   8  -8.705   7.215  12.571
   67    H    GLU   9           HN       GLU   9  -8.929   0.259  13.001
   68    HA   GLU   9           HA       GLU   9  -6.744   0.118  11.182
   69    HB2  GLU   9           HB2      GLU   9  -6.725  -0.350  13.706
   70    HB3  GLU   9           HB1      GLU   9  -7.384  -1.935  13.300
   71    HG2  GLU   9           HG2      GLU   9  -4.848  -0.842  12.055
   72    HG3  GLU   9           HG1      GLU   9  -4.854  -1.837  13.506
   73    H    LEU  10           HN       LEU  10  -9.404  -2.104  11.956
   74    HA   LEU  10           HA       LEU  10  -8.616  -4.057  10.036
   75    HB2  LEU  10           HB2      LEU  10 -10.137  -4.333  12.131
   76    HB3  LEU  10           HB1      LEU  10 -11.425  -3.745  11.080
   77    HG   LEU  10           HG       LEU  10 -10.466  -5.594   9.406
   78   HD11  LEU  10          HD11      LEU  10  -9.480  -7.488  10.485
   79   HD12  LEU  10          HD12      LEU  10  -9.808  -6.833  12.089
   80   HD13  LEU  10          HD13      LEU  10  -8.579  -6.093  11.073
   81   HD21  LEU  10          HD21      LEU  10 -12.010  -7.272  10.566
   82   HD22  LEU  10          HD22      LEU  10 -12.723  -5.711  10.160
   83   HD23  LEU  10          HD23      LEU  10 -12.230  -6.050  11.819
   84    H    LYS  11           HN       LYS  11 -10.354  -1.109   9.866
   85    HA   LYS  11           HA       LYS  11 -12.055  -1.548   7.699
   86    HB2  LYS  11           HB2      LYS  11 -12.057   0.500   9.080
   87    HB3  LYS  11           HB1      LYS  11 -10.529   0.980   8.353
   88    HG2  LYS  11           HG2      LYS  11 -11.522   1.155   6.181
   89    HG3  LYS  11           HG1      LYS  11 -13.017   0.399   6.732
   90    HD2  LYS  11           HD2      LYS  11 -12.071   2.913   8.106
   91    HD3  LYS  11           HD1      LYS  11 -12.844   3.047   6.526
   92    HE2  LYS  11           HE2      LYS  11 -14.800   1.805   7.371
   93    HE3  LYS  11           HE1      LYS  11 -14.035   1.663   8.950
   94    HZ1  LYS  11           HZ1      LYS  11 -13.931   4.120   9.003
   95    HZ2  LYS  11           HZ2      LYS  11 -15.511   3.493   9.014
   96    HZ3  LYS  11           HZ3      LYS  11 -14.865   4.154   7.587
   97    H    GLU  12           HN       GLU  12  -8.660  -0.502   7.739
   98    HA   GLU  12           HA       GLU  12  -8.401  -0.252   4.927
   99    HB2  GLU  12           HB2      GLU  12  -6.839   0.778   6.564
  100    HB3  GLU  12           HB1      GLU  12  -6.244  -0.831   6.972
  101    HG2  GLU  12           HG2      GLU  12  -5.510  -1.180   4.661
  102    HG3  GLU  12           HG1      GLU  12  -6.172   0.386   4.195
  103    H    ARG  13           HN       ARG  13  -7.614  -2.886   7.183
  104    HA   ARG  13           HA       ARG  13  -6.674  -4.629   5.100
  105    HB2  ARG  13           HB2      ARG  13  -5.875  -4.775   7.450
  106    HB3  ARG  13           HB1      ARG  13  -7.487  -5.302   7.936
  107    HG2  ARG  13           HG2      ARG  13  -7.324  -7.266   6.491
  108    HG3  ARG  13           HG1      ARG  13  -5.750  -6.727   5.901
  109    HD2  ARG  13           HD2      ARG  13  -6.364  -7.341   8.804
  110    HD3  ARG  13           HD1      ARG  13  -5.591  -8.469   7.695
  111    HE   ARG  13           HE       ARG  13  -4.345  -6.225   8.986
  112   HH11  ARG  13          HH21      ARG  13  -4.404  -8.202   6.146
  113   HH12  ARG  13          HH22      ARG  13  -2.742  -7.918   5.746
  114   HH21  ARG  13          HH11      ARG  13  -2.165  -5.848   8.468
  115   HH22  ARG  13          HH12      ARG  13  -1.475  -6.586   7.061
  116    H    ALA  14           HN       ALA  14  -9.739  -3.893   6.504
  117    HA   ALA  14           HA       ALA  14 -11.053  -6.332   5.782
  118    HB1  ALA  14           HB1      ALA  14 -13.143  -4.938   6.194
  119    HB2  ALA  14           HB2      ALA  14 -12.061  -3.610   6.603
  120    HB3  ALA  14           HB3      ALA  14 -12.035  -5.093   7.559
  121    H    LYS  15           HN       LYS  15  -9.939  -3.709   4.005
  122    HA   LYS  15           HA       LYS  15 -11.969  -3.390   2.068
  123    HB2  LYS  15           HB2      LYS  15 -10.040  -1.847   2.344
  124    HB3  LYS  15           HB1      LYS  15  -8.982  -3.094   1.687
  125    HG2  LYS  15           HG2      LYS  15 -10.236  -3.096  -0.414
  126    HG3  LYS  15           HG1      LYS  15 -11.362  -1.905   0.239
  127    HD2  LYS  15           HD2      LYS  15  -9.508  -0.296   0.502
  128    HD3  LYS  15           HD1      LYS  15  -8.385  -1.482  -0.164
  129    HE2  LYS  15           HE2      LYS  15  -9.667  -1.519  -2.265
  130    HE3  LYS  15           HE1      LYS  15 -10.793  -0.336  -1.602
  131    HZ1  LYS  15           HZ1      LYS  15  -7.971   0.355  -1.489
  132    HZ2  LYS  15           HZ2      LYS  15  -9.318   1.336  -1.824
  133    HZ3  LYS  15           HZ3      LYS  15  -8.668   0.335  -3.035
  134    H    VAL  16           HN       VAL  16  -9.120  -5.523   2.160
  135    HA   VAL  16           HA       VAL  16  -8.465  -7.175   0.642
  136    HB   VAL  16           HB       VAL  16 -10.052  -9.056   0.716
  137   HG11  VAL  16          HG11      VAL  16 -10.103  -7.631   3.375
  138   HG12  VAL  16          HG12      VAL  16  -8.624  -8.324   2.709
  139   HG13  VAL  16          HG13      VAL  16 -10.001  -9.366   3.070
  140   HG21  VAL  16          HG21      VAL  16 -12.260  -8.807   1.649
  141   HG22  VAL  16          HG22      VAL  16 -12.113  -7.581   0.403
  142   HG23  VAL  16          HG23      VAL  16 -11.946  -7.144   2.095
  143    H    PHE  17           HN       PHE  17 -10.476  -8.722  -0.919
  144    HA   PHE  17           HA       PHE  17 -10.659  -6.887  -3.224
  145    HB2  PHE  17           HB2      PHE  17 -10.715  -9.905  -3.039
  146    HB3  PHE  17           HB1      PHE  17 -10.948  -8.990  -4.529
  147    HD1  PHE  17           HD2      PHE  17  -9.113  -7.407  -5.301
  148    HD2  PHE  17           HD1      PHE  17  -8.534 -10.299  -2.178
  149    HE1  PHE  17           HE2      PHE  17  -6.656  -7.211  -5.575
  150    HE2  PHE  17           HE1      PHE  17  -6.078 -10.103  -2.451
  151    HZ   PHE  17           HZ       PHE  17  -5.138  -8.559  -4.150
  152    H    ALA  18           HN       ALA  18 -12.569  -6.641  -4.363
  153    HA   ALA  18           HA       ALA  18 -14.842  -6.271  -4.496
  154    HB1  ALA  18           HB1      ALA  18 -14.973  -9.146  -3.564
  155    HB2  ALA  18           HB2      ALA  18 -14.608  -8.662  -5.220
  156    HB3  ALA  18           HB3      ALA  18 -16.180  -8.280  -4.515
  157    H    LYS  19           HN       LYS  19 -17.008  -7.176  -3.124
  158    HA   LYS  19           HA       LYS  19 -16.632  -5.863  -0.574
  159    HB2  LYS  19           HB2      LYS  19 -19.305  -6.884  -1.477
  160    HB3  LYS  19           HB1      LYS  19 -18.923  -5.423  -0.591
  161    HG2  LYS  19           HG2      LYS  19 -18.292  -5.918  -3.508
  162    HG3  LYS  19           HG1      LYS  19 -19.571  -4.883  -2.887
  163    HD2  LYS  19           HD2      LYS  19 -16.597  -4.477  -2.403
  164    HD3  LYS  19           HD1      LYS  19 -17.599  -3.539  -3.494
  165    HE2  LYS  19           HE2      LYS  19 -19.089  -3.181  -1.317
  166    HE3  LYS  19           HE1      LYS  19 -17.567  -3.536  -0.497
  167    HZ1  LYS  19           HZ1      LYS  19 -16.530  -1.731  -1.476
  168    HZ2  LYS  19           HZ2      LYS  19 -18.075  -1.136  -1.092
  169    HZ3  LYS  19           HZ3      LYS  19 -17.703  -1.574  -2.690
  170    HA   PRO  20           HA       PRO  20 -16.726  -9.396   2.041
  171    HB2  PRO  20           HB2      PRO  20 -19.081  -8.244   3.490
  172    HB3  PRO  20           HB1      PRO  20 -17.487  -8.706   4.120
  173    HG2  PRO  20           HG2      PRO  20 -18.165  -6.147   3.804
  174    HG3  PRO  20           HG1      PRO  20 -16.513  -6.712   3.480
  175    HD2  PRO  20           HD2      PRO  20 -18.681  -6.019   1.549
  176    HD3  PRO  20           HD1      PRO  20 -16.932  -5.739   1.454
  177    H    ILE  21           HN       ILE  21 -17.701 -11.397   2.191
  178    HA   ILE  21           HA       ILE  21 -20.096 -11.789   0.566
  179    HB   ILE  21           HB       ILE  21 -18.047 -13.223   0.287
  180   HG12  ILE  21          HG12      ILE  21 -19.352 -15.381   0.267
  181   HG13  ILE  21          HG11      ILE  21 -20.653 -14.547   1.121
  182   HG21  ILE  21          HG21      ILE  21 -17.456 -14.821   1.941
  183   HG22  ILE  21          HG22      ILE  21 -18.913 -14.494   2.880
  184   HG23  ILE  21          HG23      ILE  21 -17.627 -13.290   2.799
  185   HD11  ILE  21          HD11      ILE  21 -19.628 -13.271  -1.396
  186   HD12  ILE  21          HD12      ILE  21 -21.257 -13.302  -0.725
  187   HD13  ILE  21          HD13      ILE  21 -20.619 -14.719  -1.547
  188    H    GLY  22           HN       GLY  22 -22.052 -12.336   1.342
  189    HA2  GLY  22           HA2      GLY  22 -23.694 -13.012   2.830
  190    HA3  GLY  22           HA1      GLY  22 -22.426 -13.508   3.945
  191    H    ALA  23           HN       ALA  23 -22.871 -12.522   5.829
  192    HA   ALA  23           HA       ALA  23 -22.613  -9.678   6.047
  193    HB1  ALA  23           HB1      ALA  23 -24.998  -9.949   5.262
  194    HB2  ALA  23           HB2      ALA  23 -24.816  -9.121   6.810
  195    HB3  ALA  23           HB3      ALA  23 -25.321 -10.811   6.767
  196    H    SER  24           HN       SER  24 -21.955 -12.542   7.153
  197    HA   SER  24           HA       SER  24 -22.604 -12.296   9.961
  198    HB2  SER  24           HB2      SER  24 -20.973 -14.231   8.332
  199    HB3  SER  24           HB1      SER  24 -20.939 -14.274  10.093
  200    HG   SER  24           HG       SER  24 -22.639 -15.498   9.727
  201    H    TYR  25           HN       TYR  25 -20.180 -11.099   7.889
  202    HA   TYR  25           HA       TYR  25 -18.047 -10.950   9.806
  203    HB2  TYR  25           HB2      TYR  25 -18.502  -9.516   7.182
  204    HB3  TYR  25           HB1      TYR  25 -17.023  -9.399   8.136
  205    HD1  TYR  25           HD1      TYR  25 -19.164 -11.660   6.140
  206    HD2  TYR  25           HD2      TYR  25 -15.461 -11.241   8.276
  207    HE1  TYR  25           HE1      TYR  25 -18.342 -13.771   5.131
  208    HE2  TYR  25           HE2      TYR  25 -14.640 -13.353   7.267
  209    HH   TYR  25           HH       TYR  25 -15.662 -14.675   4.689
  210    H    GLN  26           HN       GLN  26 -20.771  -8.958   8.932
  211    HA   GLN  26           HA       GLN  26 -19.885  -6.510  10.041
  212    HB2  GLN  26           HB2      GLN  26 -21.836  -6.742   8.508
  213    HB3  GLN  26           HB1      GLN  26 -22.727  -7.528   9.812
  214    HG2  GLN  26           HG2      GLN  26 -22.478  -5.523  11.214
  215    HG3  GLN  26           HG1      GLN  26 -21.552  -4.736   9.937
  216   HE21  GLN  26          HE21      GLN  26 -22.983  -3.108   9.234
  217   HE22  GLN  26          HE22      GLN  26 -24.567  -3.405   8.700
  218    H    GLY  27           HN       GLY  27 -21.582  -9.291  11.415
  219    HA2  GLY  27           HA2      GLY  27 -22.261  -8.193  13.909
  220    HA3  GLY  27           HA1      GLY  27 -21.995  -9.906  13.593
  221    H    ILE  28           HN       ILE  28 -19.295  -9.792  12.804
  222    HA   ILE  28           HA       ILE  28 -18.008  -9.784  15.349
  223    HB   ILE  28           HB       ILE  28 -16.806  -9.939  12.577
  224   HG12  ILE  28          HG12      ILE  28 -17.483 -12.161  14.527
  225   HG13  ILE  28          HG11      ILE  28 -18.522 -11.698  13.179
  226   HG21  ILE  28          HG21      ILE  28 -15.718 -10.598  15.331
  227   HG22  ILE  28          HG22      ILE  28 -15.121  -9.356  14.231
  228   HG23  ILE  28          HG23      ILE  28 -14.934 -11.059  13.820
  229   HD11  ILE  28          HD11      ILE  28 -17.003 -13.611  12.630
  230   HD12  ILE  28          HD12      ILE  28 -15.624 -12.543  12.890
  231   HD13  ILE  28          HD13      ILE  28 -16.760 -12.214  11.581
  232    H    LEU  29           HN       LEU  29 -18.453  -7.423  12.860
  233    HA   LEU  29           HA       LEU  29 -16.300  -5.717  13.842
  234    HB2  LEU  29           HB2      LEU  29 -16.967  -6.000  11.372
  235    HB3  LEU  29           HB1      LEU  29 -18.360  -4.996  11.770
  236    HG   LEU  29           HG       LEU  29 -16.489  -3.425  12.862
  237   HD11  LEU  29          HD11      LEU  29 -14.713  -5.171  12.270
  238   HD12  LEU  29          HD12      LEU  29 -14.368  -3.519  11.769
  239   HD13  LEU  29          HD13      LEU  29 -14.952  -4.694  10.592
  240   HD21  LEU  29          HD21      LEU  29 -17.940  -2.640  11.117
  241   HD22  LEU  29          HD22      LEU  29 -17.140  -3.656   9.918
  242   HD23  LEU  29          HD23      LEU  29 -16.288  -2.279  10.616
  243    H    ASP  30           HN       ASP  30 -19.693  -6.159  14.230
  244    HA   ASP  30           HA       ASP  30 -20.429  -3.549  15.031
  245    HB2  ASP  30           HB2      ASP  30 -22.046  -5.341  14.446
  246    HB3  ASP  30           HB1      ASP  30 -21.616  -6.183  15.934
  247    H    GLN  31           HN       GLN  31 -19.071  -6.292  16.786
  248    HA   GLN  31           HA       GLN  31 -19.433  -5.295  19.392
  249    HB2  GLN  31           HB2      GLN  31 -17.470  -7.249  18.202
  250    HB3  GLN  31           HB1      GLN  31 -17.457  -6.851  19.922
  251    HG2  GLN  31           HG2      GLN  31 -19.781  -7.555  20.133
  252    HG3  GLN  31           HG1      GLN  31 -19.867  -7.890  18.404
  253   HE21  GLN  31          HE21      GLN  31 -19.349  -9.387  21.376
  254   HE22  GLN  31          HE22      GLN  31 -18.506 -10.757  20.833
  255    H    LEU  32           HN       LEU  32 -16.966  -4.704  16.985
  256    HA   LEU  32           HA       LEU  32 -15.026  -3.521  18.643
  257    HB2  LEU  32           HB2      LEU  32 -15.694  -3.359  15.725
  258    HB3  LEU  32           HB1      LEU  32 -14.528  -2.217  16.378
  259    HG   LEU  32           HG       LEU  32 -13.217  -4.104  17.281
  260   HD11  LEU  32          HD11      LEU  32 -13.791  -6.406  16.499
  261   HD12  LEU  32          HD12      LEU  32 -15.301  -5.768  15.875
  262   HD13  LEU  32          HD13      LEU  32 -14.990  -5.732  17.594
  263   HD21  LEU  32          HD21      LEU  32 -12.854  -3.167  14.962
  264   HD22  LEU  32          HD22      LEU  32 -13.817  -4.509  14.344
  265   HD23  LEU  32          HD23      LEU  32 -12.292  -4.826  15.176
  266    H    ASP  33           HN       ASP  33 -17.921  -2.224  17.137
  267    HA   ASP  33           HA       ASP  33 -17.384   0.506  17.782
  268    HB2  ASP  33           HB2      ASP  33 -18.976  -0.117  16.024
  269    HB3  ASP  33           HB1      ASP  33 -20.014  -0.884  17.223
  270    H    LEU  34           HN       LEU  34 -19.402  -2.005  19.297
  271    HA   LEU  34           HA       LEU  34 -20.299  -0.392  21.431
  272    HB2  LEU  34           HB2      LEU  34 -20.173  -3.352  20.911
  273    HB3  LEU  34           HB1      LEU  34 -20.627  -2.789  22.515
  274    HG   LEU  34           HG       LEU  34 -22.575  -3.180  20.938
  275   HD11  LEU  34          HD11      LEU  34 -22.593  -0.246  21.571
  276   HD12  LEU  34          HD12      LEU  34 -22.342  -1.350  22.918
  277   HD13  LEU  34          HD13      LEU  34 -23.787  -1.484  21.930
  278   HD21  LEU  34          HD21      LEU  34 -21.709  -0.606  19.604
  279   HD22  LEU  34          HD22      LEU  34 -22.926  -1.759  19.072
  280   HD23  LEU  34          HD23      LEU  34 -21.225  -2.170  18.968
  281    H    VAL  35           HN       VAL  35 -17.614  -2.668  21.207
  282    HA   VAL  35           HA       VAL  35 -16.778  -2.741  23.804
  283    HB   VAL  35           HB       VAL  35 -15.718  -3.662  21.547
  284   HG11  VAL  35          HG11      VAL  35 -13.809  -2.490  20.749
  285   HG12  VAL  35          HG12      VAL  35 -13.719  -1.495  22.197
  286   HG13  VAL  35          HG13      VAL  35 -14.988  -1.218  21.023
  287   HG21  VAL  35          HG21      VAL  35 -14.288  -3.050  24.138
  288   HG22  VAL  35          HG22      VAL  35 -13.543  -4.032  22.875
  289   HG23  VAL  35          HG23      VAL  35 -15.036  -4.569  23.649
  290    H    HIS  36           HN       HIS  36 -16.738  -0.010  21.681
  291    HA   HIS  36           HA       HIS  36 -14.841   1.540  23.188
  292    HB2  HIS  36           HB2      HIS  36 -15.328   1.890  20.748
  293    HB3  HIS  36           HB1      HIS  36 -16.908   2.523  21.210
  294    HD2  HIS  36           HD2      HIS  36 -16.796   5.259  21.475
  295    HE1  HIS  36           HE1      HIS  36 -12.753   5.602  22.644
  296    HE2  HIS  36           HE2      HIS  36 -14.876   6.901  22.136
  297    H    GLN  37           HN       GLN  37 -18.340   1.158  23.097
  298    HA   GLN  37           HA       GLN  37 -18.801   3.337  24.966
  299    HB2  GLN  37           HB2      GLN  37 -20.460   2.786  23.214
  300    HB3  GLN  37           HB1      GLN  37 -20.692   1.200  23.950
  301    HG2  GLN  37           HG2      GLN  37 -21.503   2.208  26.002
  302    HG3  GLN  37           HG1      GLN  37 -21.122   3.823  25.405
  303   HE21  GLN  37          HE21      GLN  37 -23.786   3.094  26.199
  304   HE22  GLN  37          HE22      GLN  37 -24.766   3.101  24.812
  305    H    ALA  38           HN       ALA  38 -18.059  -0.032  25.098
  306    HA   ALA  38           HA       ALA  38 -19.294  -0.642  27.594
  307    HB1  ALA  38           HB1      ALA  38 -17.564  -2.531  27.577
  308    HB2  ALA  38           HB2      ALA  38 -17.033  -1.887  26.026
  309    HB3  ALA  38           HB3      ALA  38 -18.681  -2.482  26.216
  310    H    LYS  39           HN       LYS  39 -18.515  -0.521  29.653
  311    HA   LYS  39           HA       LYS  39 -15.790   0.453  30.121
  312    HB2  LYS  39           HB2      LYS  39 -18.319   1.824  31.039
  313    HB3  LYS  39           HB1      LYS  39 -16.753   2.110  31.788
  314    HG2  LYS  39           HG2      LYS  39 -17.205   2.439  28.817
  315    HG3  LYS  39           HG1      LYS  39 -17.432   3.758  29.948
  316    HD2  LYS  39           HD2      LYS  39 -15.058   3.307  30.763
  317    HD3  LYS  39           HD1      LYS  39 -14.873   2.239  29.379
  318    HE2  LYS  39           HE2      LYS  39 -15.332   4.030  27.837
  319    HE3  LYS  39           HE1      LYS  39 -15.684   5.131  29.171
  320    HZ1  LYS  39           HZ1      LYS  39 -13.115   3.787  29.285
  321    HZ2  LYS  39           HZ2      LYS  39 -13.520   5.396  29.649
  322    HZ3  LYS  39           HZ3      LYS  39 -13.290   4.920  28.035
  323    H    GLY  40           HN       GLY  40 -14.914  -0.078  32.083
  324    HA2  GLY  40           HA2      GLY  40 -14.686  -1.211  34.082
  325    HA3  GLY  40           HA1      GLY  40 -16.442  -1.232  34.207
  326    H    ARG  41           HN       ARG  41 -17.109  -3.265  34.458
  327    HA   ARG  41           HA       ARG  41 -15.639  -5.545  33.606
  328    HB2  ARG  41           HB2      ARG  41 -17.609  -6.819  34.325
  329    HB3  ARG  41           HB1      ARG  41 -17.195  -5.593  35.523
  330    HG2  ARG  41           HG2      ARG  41 -18.915  -4.090  34.574
  331    HG3  ARG  41           HG1      ARG  41 -19.345  -5.325  33.393
  332    HD2  ARG  41           HD2      ARG  41 -19.942  -6.868  35.207
  333    HD3  ARG  41           HD1      ARG  41 -19.523  -5.638  36.392
  334    HE   ARG  41           HE       ARG  41 -21.500  -4.496  35.866
  335   HH11  ARG  41          HH21      ARG  41 -20.868  -7.104  33.681
  336   HH12  ARG  41          HH22      ARG  41 -22.439  -7.059  32.955
  337   HH21  ARG  41          HH11      ARG  41 -23.563  -4.431  34.918
  338   HH22  ARG  41          HH12      ARG  41 -23.965  -5.546  33.654
  339    H    ASP  42           HN       ASP  42 -17.883  -3.468  32.035
  340    HA   ASP  42           HA       ASP  42 -19.000  -5.249  30.152
  341    HB2  ASP  42           HB2      ASP  42 -19.798  -2.923  30.649
  342    HB3  ASP  42           HB1      ASP  42 -18.417  -2.323  29.737
  343    H    GLN  43           HN       GLN  43 -16.024  -3.340  30.145
  344    HA   GLN  43           HA       GLN  43 -15.293  -3.890  27.456
  345    HB2  GLN  43           HB2      GLN  43 -13.739  -3.019  29.884
  346    HB3  GLN  43           HB1      GLN  43 -12.953  -3.299  28.329
  347    HG2  GLN  43           HG2      GLN  43 -14.490  -1.676  27.271
  348    HG3  GLN  43           HG1      GLN  43 -15.248  -1.392  28.834
  349   HE21  GLN  43          HE21      GLN  43 -14.273   0.893  27.878
  350   HE22  GLN  43          HE22      GLN  43 -12.763   1.298  28.541
  351    H    ILE  44           HN       ILE  44 -14.591  -5.477  30.523
  352    HA   ILE  44           HA       ILE  44 -12.749  -7.385  29.539
  353    HB   ILE  44           HB       ILE  44 -14.570  -7.435  31.948
  354   HG12  ILE  44          HG12      ILE  44 -11.572  -7.062  31.738
  355   HG13  ILE  44          HG11      ILE  44 -12.718  -5.715  31.801
  356   HG21  ILE  44          HG21      ILE  44 -14.114  -9.726  31.479
  357   HG22  ILE  44          HG22      ILE  44 -12.928  -9.261  32.696
  358   HG23  ILE  44          HG23      ILE  44 -12.454  -9.372  31.003
  359   HD11  ILE  44          HD11      ILE  44 -12.288  -7.848  33.911
  360   HD12  ILE  44          HD12      ILE  44 -13.611  -6.682  33.953
  361   HD13  ILE  44          HD13      ILE  44 -11.941  -6.125  34.054
  362    H    ALA  45           HN       ALA  45 -16.272  -7.441  29.944
  363    HA   ALA  45           HA       ALA  45 -16.821 -10.088  29.368
  364    HB1  ALA  45           HB1      ALA  45 -18.983  -9.228  28.416
  365    HB2  ALA  45           HB2      ALA  45 -18.338  -7.594  28.566
  366    HB3  ALA  45           HB3      ALA  45 -18.593  -8.578  30.008
  367    H    ALA  46           HN       ALA  46 -16.337  -7.408  27.074
  368    HA   ALA  46           HA       ALA  46 -16.738  -8.894  24.709
  369    HB1  ALA  46           HB1      ALA  46 -15.233  -6.356  25.283
  370    HB2  ALA  46           HB2      ALA  46 -16.814  -6.530  24.529
  371    HB3  ALA  46           HB3      ALA  46 -15.365  -7.040  23.663
  372    H    SER  47           HN       SER  47 -14.115  -8.730  26.932
  373    HA   SER  47           HA       SER  47 -12.026  -9.519  25.223
  374    HB2  SER  47           HB2      SER  47 -11.941  -8.618  27.665
  375    HB3  SER  47           HB1      SER  47 -12.095 -10.312  28.103
  376    HG   SER  47           HG       SER  47  -9.901  -9.234  27.665
  377    H    PHE  48           HN       PHE  48 -13.941 -11.445  27.487
  378    HA   PHE  48           HA       PHE  48 -12.868 -13.932  26.705
  379    HB2  PHE  48           HB2      PHE  48 -14.101 -13.504  28.836
  380    HB3  PHE  48           HB1      PHE  48 -15.595 -13.416  27.905
  381    HD1  PHE  48           HD1      PHE  48 -12.688 -15.643  28.660
  382    HD2  PHE  48           HD2      PHE  48 -16.751 -15.385  27.287
  383    HE1  PHE  48           HE1      PHE  48 -12.860 -18.117  28.702
  384    HE2  PHE  48           HE2      PHE  48 -16.922 -17.858  27.329
  385    HZ   PHE  48           HZ       PHE  48 -14.977 -19.224  28.036
  386    H    GLU  49           HN       GLU  49 -15.563 -12.032  25.511
  387    HA   GLU  49           HA       GLU  49 -16.812 -14.027  23.977
  388    HB2  GLU  49           HB2      GLU  49 -16.718 -11.027  23.743
  389    HB3  GLU  49           HB1      GLU  49 -17.651 -12.017  22.622
  390    HG2  GLU  49           HG2      GLU  49 -18.936 -12.961  24.461
  391    HG3  GLU  49           HG1      GLU  49 -17.961 -12.078  25.638
  392    H    LEU  50           HN       LEU  50 -14.763 -11.393  22.757
  393    HA   LEU  50           HA       LEU  50 -14.421 -12.536  20.231
  394    HB2  LEU  50           HB2      LEU  50 -13.002 -10.378  21.728
  395    HB3  LEU  50           HB1      LEU  50 -12.395 -10.911  20.166
  396    HG   LEU  50           HG       LEU  50 -14.001  -8.964  20.041
  397   HD11  LEU  50          HD11      LEU  50 -14.815  -9.654  18.011
  398   HD12  LEU  50          HD12      LEU  50 -15.363 -11.205  18.618
  399   HD13  LEU  50          HD13      LEU  50 -13.658 -10.952  18.261
  400   HD21  LEU  50          HD21      LEU  50 -16.300  -9.252  20.544
  401   HD22  LEU  50          HD22      LEU  50 -15.452  -9.942  21.918
  402   HD23  LEU  50          HD23      LEU  50 -16.128 -10.999  20.683
  403    H    ASN  51           HN       ASN  51 -12.681 -12.914  23.190
  404    HA   ASN  51           HA       ASN  51 -10.264 -13.897  22.314
  405    HB2  ASN  51           HB2      ASN  51 -10.601 -13.561  24.660
  406    HB3  ASN  51           HB1      ASN  51 -11.943 -14.704  24.696
  407   HD21  ASN  51          HD21      ASN  51  -8.495 -14.388  24.959
  408   HD22  ASN  51          HD22      ASN  51  -8.147 -16.045  25.085
  409    H    LYS  52           HN       LYS  52 -13.042 -15.932  23.206
  410    HA   LYS  52           HA       LYS  52 -11.914 -18.291  22.121
  411    HB2  LYS  52           HB2      LYS  52 -14.187 -19.245  22.415
  412    HB3  LYS  52           HB1      LYS  52 -13.605 -18.410  23.856
  413    HG2  LYS  52           HG2      LYS  52 -14.864 -16.388  23.177
  414    HG3  LYS  52           HG1      LYS  52 -15.474 -17.261  21.777
  415    HD2  LYS  52           HD2      LYS  52 -16.698 -18.792  23.115
  416    HD3  LYS  52           HD1      LYS  52 -15.872 -18.276  24.586
  417    HE2  LYS  52           HE2      LYS  52 -18.252 -17.362  24.190
  418    HE3  LYS  52           HE1      LYS  52 -17.003 -16.205  24.631
  419    HZ1  LYS  52           HZ1      LYS  52 -18.262 -15.372  22.776
  420    HZ2  LYS  52           HZ2      LYS  52 -17.980 -16.793  21.888
  421    HZ3  LYS  52           HZ3      LYS  52 -16.693 -15.744  22.251
  422    H    LYS  53           HN       LYS  53 -14.118 -15.879  20.827
  423    HA   LYS  53           HA       LYS  53 -14.906 -17.277  18.518
  424    HB2  LYS  53           HB2      LYS  53 -14.683 -14.343  19.091
  425    HB3  LYS  53           HB1      LYS  53 -15.375 -14.957  17.613
  426    HG2  LYS  53           HG2      LYS  53 -17.053 -16.192  18.899
  427    HG3  LYS  53           HG1      LYS  53 -16.351 -15.619  20.398
  428    HD2  LYS  53           HD2      LYS  53 -16.786 -13.260  19.625
  429    HD3  LYS  53           HD1      LYS  53 -17.661 -13.940  18.252
  430    HE2  LYS  53           HE2      LYS  53 -18.320 -14.358  21.179
  431    HE3  LYS  53           HE1      LYS  53 -19.234 -13.380  20.035
  432    HZ1  LYS  53           HZ1      LYS  53 -18.753 -16.292  19.736
  433    HZ2  LYS  53           HZ2      LYS  53 -19.737 -15.320  18.750
  434    HZ3  LYS  53           HZ3      LYS  53 -20.176 -15.617  20.363
  435    H    ILE  54           HN       ILE  54 -12.273 -14.934  19.020
  436    HA   ILE  54           HA       ILE  54 -11.298 -15.023  16.363
  437    HB   ILE  54           HB       ILE  54  -9.952 -14.287  18.969
  438   HG12  ILE  54          HG12      ILE  54 -10.907 -12.525  16.696
  439   HG13  ILE  54          HG11      ILE  54 -11.918 -12.915  18.087
  440   HG21  ILE  54          HG21      ILE  54  -8.351 -13.069  17.308
  441   HG22  ILE  54          HG22      ILE  54  -8.986 -14.197  16.103
  442   HG23  ILE  54          HG23      ILE  54  -8.147 -14.815  17.523
  443   HD11  ILE  54          HD11      ILE  54 -10.255 -11.951  19.604
  444   HD12  ILE  54          HD12      ILE  54 -10.709 -10.761  18.384
  445   HD13  ILE  54          HD13      ILE  54  -9.178 -11.624  18.246
  446    H    ASN  55           HN       ASN  55 -10.376 -16.776  19.306
  447    HA   ASN  55           HA       ASN  55  -8.229 -18.213  18.178
  448    HB2  ASN  55           HB2      ASN  55 -10.036 -18.790  20.529
  449    HB3  ASN  55           HB1      ASN  55  -8.665 -19.813  20.100
  450   HD21  ASN  55          HD21      ASN  55  -6.891 -17.661  19.236
  451   HD22  ASN  55          HD22      ASN  55  -6.463 -16.780  20.622
  452    H    ASP  56           HN       ASP  56 -11.691 -18.853  18.374
  453    HA   ASP  56           HA       ASP  56 -11.649 -21.525  17.476
  454    HB2  ASP  56           HB2      ASP  56 -13.759 -19.370  17.318
  455    HB3  ASP  56           HB1      ASP  56 -14.038 -21.024  16.777
  456    H    TYR  57           HN       TYR  57 -11.870 -18.453  15.730
  457    HA   TYR  57           HA       TYR  57 -12.295 -19.526  13.168
  458    HB2  TYR  57           HB2      TYR  57 -11.153 -16.935  14.190
  459    HB3  TYR  57           HB1      TYR  57 -11.135 -17.279  12.467
  460    HD1  TYR  57           HD1      TYR  57 -13.483 -18.361  11.594
  461    HD2  TYR  57           HD2      TYR  57 -13.000 -15.709  14.937
  462    HE1  TYR  57           HE1      TYR  57 -15.858 -17.705  11.419
  463    HE2  TYR  57           HE2      TYR  57 -15.376 -15.055  14.764
  464    HH   TYR  57           HH       TYR  57 -17.634 -16.713  13.256
  465    H    ILE  58           HN       ILE  58  -9.357 -18.958  15.002
  466    HA   ILE  58           HA       ILE  58  -7.499 -19.363  12.922
  467    HB   ILE  58           HB       ILE  58  -7.302 -19.893  15.887
  468   HG12  ILE  58          HG12      ILE  58  -6.170 -17.631  14.204
  469   HG13  ILE  58          HG11      ILE  58  -7.713 -17.518  15.063
  470   HG21  ILE  58          HG21      ILE  58  -5.230 -19.966  13.686
  471   HG22  ILE  58          HG22      ILE  58  -5.576 -21.203  14.893
  472   HG23  ILE  58          HG23      ILE  58  -4.787 -19.701  15.372
  473   HD11  ILE  58          HD11      ILE  58  -6.148 -18.357  17.118
  474   HD12  ILE  58          HD12      ILE  58  -6.341 -16.661  16.706
  475   HD13  ILE  58          HD13      ILE  58  -4.929 -17.547  16.139
  476    H    ALA  59           HN       ALA  59  -9.027 -21.627  15.195
  477    HA   ALA  59           HA       ALA  59  -7.624 -23.940  14.410
  478    HB1  ALA  59           HB1      ALA  59  -9.327 -25.175  15.547
  479    HB2  ALA  59           HB2      ALA  59 -10.495 -23.867  15.353
  480    HB3  ALA  59           HB3      ALA  59  -9.121 -23.669  16.442
  481    H    GLU  60           HN       GLU  60 -10.514 -22.381  13.122
  482    HA   GLU  60           HA       GLU  60 -11.157 -24.492  11.291
  483    HB2  GLU  60           HB2      GLU  60 -12.024 -21.600  11.445
  484    HB3  GLU  60           HB1      GLU  60 -12.661 -22.755  10.274
  485    HG2  GLU  60           HG2      GLU  60 -13.477 -24.189  12.065
  486    HG3  GLU  60           HG1      GLU  60 -12.744 -23.143  13.279
  487    H    HIS  61           HN       HIS  61  -8.634 -22.353  11.376
  488    HA   HIS  61           HA       HIS  61  -8.205 -22.603   8.456
  489    HB2  HIS  61           HB2      HIS  61  -7.973 -20.115  10.134
  490    HB3  HIS  61           HB1      HIS  61  -7.114 -20.301   8.604
  491    HD2  HIS  61           HD2      HIS  61  -8.653 -19.109   6.658
  492    HE1  HIS  61           HE1      HIS  61 -12.454 -20.292   8.065
  493    HE2  HIS  61           HE2      HIS  61 -11.226 -19.048   6.222
  494    HA   PRO  62           HA       PRO  62  -4.552 -23.949  11.016
  495    HB2  PRO  62           HB2      PRO  62  -4.335 -26.475   9.961
  496    HB3  PRO  62           HB1      PRO  62  -5.359 -26.088  11.359
  497    HG2  PRO  62           HG2      PRO  62  -6.123 -26.494   8.505
  498    HG3  PRO  62           HG1      PRO  62  -6.981 -26.971   9.981
  499    HD2  PRO  62           HD2      PRO  62  -7.644 -24.767   8.464
  500    HD3  PRO  62           HD1      PRO  62  -8.013 -24.914  10.196
  501    H    THR  63           HN       THR  63  -5.371 -23.623   7.722
  502    HA   THR  63           HA       THR  63  -2.624 -24.081   6.768
  503    HB   THR  63           HB       THR  63  -3.698 -23.549   4.525
  504    HG1  THR  63           HG1      THR  63  -6.117 -24.037   4.882
  505   HG21  THR  63          HG21      THR  63  -3.273 -25.850   5.345
  506   HG22  THR  63          HG22      THR  63  -4.738 -25.761   4.366
  507   HG23  THR  63          HG23      THR  63  -4.856 -25.847   6.124
  508    H    SER  64           HN       SER  64  -4.192 -21.650   8.268
  509    HA   SER  64           HA       SER  64  -3.586 -19.444   8.574
  510    HB2  SER  64           HB2      SER  64  -1.747 -19.452   6.204
  511    HB3  SER  64           HB1      SER  64  -1.560 -18.664   7.767
  512    HG   SER  64           HG       SER  64  -1.012 -21.279   6.978
  513    H    GLY  65           HN       GLY  65  -4.200 -17.425   7.694
  514    HA2  GLY  65           HA2      GLY  65  -4.812 -16.788   5.081
  515    HA3  GLY  65           HA1      GLY  65  -6.253 -17.582   5.708
  516    H    ARG  66           HN       ARG  66  -7.544 -15.747   5.681
  517    HA   ARG  66           HA       ARG  66  -6.846 -13.218   6.683
  518    HB2  ARG  66           HB2      ARG  66  -9.561 -14.553   6.540
  519    HB3  ARG  66           HB1      ARG  66  -9.296 -12.835   6.818
  520    HG2  ARG  66           HG2      ARG  66  -8.111 -14.212   4.402
  521    HG3  ARG  66           HG1      ARG  66  -9.773 -13.622   4.378
  522    HD2  ARG  66           HD2      ARG  66  -8.893 -11.363   5.086
  523    HD3  ARG  66           HD1      ARG  66  -7.268 -11.995   4.865
  524    HE   ARG  66           HE       ARG  66  -9.058 -12.235   2.579
  525   HH11  ARG  66          HH21      ARG  66  -6.562 -10.503   4.241
  526   HH12  ARG  66          HH22      ARG  66  -6.014  -9.666   2.830
  527   HH21  ARG  66          HH11      ARG  66  -8.345 -11.136   0.726
  528   HH22  ARG  66          HH12      ARG  66  -7.024 -10.023   0.839
  529    H    ASN  67           HN       ASN  67  -7.985 -16.110   8.274
  530    HA   ASN  67           HA       ASN  67  -8.735 -14.976  10.751
  531    HB2  ASN  67           HB2      ASN  67  -7.738 -17.713   9.962
  532    HB3  ASN  67           HB1      ASN  67  -8.174 -17.317  11.625
  533   HD21  ASN  67          HD21      ASN  67  -9.681 -19.273  10.284
  534   HD22  ASN  67          HD22      ASN  67 -11.225 -18.657   9.945
  535    H    GLN  68           HN       GLN  68  -5.618 -16.112   9.509
  536    HA   GLN  68           HA       GLN  68  -4.104 -16.031  11.832
  537    HB2  GLN  68           HB2      GLN  68  -3.334 -16.810   9.564
  538    HB3  GLN  68           HB1      GLN  68  -3.150 -15.117   9.111
  539    HG2  GLN  68           HG2      GLN  68  -0.995 -15.910   9.862
  540    HG3  GLN  68           HG1      GLN  68  -1.627 -14.829  11.099
  541   HE21  GLN  68          HE21      GLN  68  -1.268 -15.671  13.149
  542   HE22  GLN  68          HE22      GLN  68  -1.335 -17.319  13.553
  543    H    ALA  69           HN       ALA  69  -5.062 -13.392   9.686
  544    HA   ALA  69           HA       ALA  69  -3.502 -11.392  11.023
  545    HB1  ALA  69           HB1      ALA  69  -5.918 -11.074   9.226
  546    HB2  ALA  69           HB2      ALA  69  -4.242 -11.147   8.678
  547    HB3  ALA  69           HB3      ALA  69  -4.785  -9.800   9.680
  548    H    LEU  70           HN       LEU  70  -6.757 -12.665  11.349
  549    HA   LEU  70           HA       LEU  70  -7.839 -10.638  12.957
  550    HB2  LEU  70           HB2      LEU  70  -9.188 -12.425  11.887
  551    HB3  LEU  70           HB1      LEU  70  -8.488 -13.598  13.000
  552    HG   LEU  70           HG       LEU  70  -9.398 -12.258  14.914
  553   HD11  LEU  70          HD11      LEU  70  -9.682 -10.067  14.207
  554   HD12  LEU  70          HD12      LEU  70 -11.333 -10.651  14.072
  555   HD13  LEU  70          HD13      LEU  70 -10.323 -10.534  12.633
  556   HD21  LEU  70          HD21      LEU  70 -10.701 -14.139  14.204
  557   HD22  LEU  70          HD22      LEU  70 -11.311 -13.261  12.802
  558   HD23  LEU  70          HD23      LEU  70 -11.825 -12.798  14.424
  559    H    THR  71           HN       THR  71  -5.978 -13.529  13.757
  560    HA   THR  71           HA       THR  71  -6.242 -13.540  16.525
  561    HB   THR  71           HB       THR  71  -3.703 -14.166  15.013
  562    HG1  THR  71           HG1      THR  71  -5.924 -15.139  14.427
  563   HG21  THR  71          HG21      THR  71  -3.391 -14.180  17.407
  564   HG22  THR  71          HG22      THR  71  -3.487 -15.855  16.868
  565   HG23  THR  71          HG23      THR  71  -4.877 -15.096  17.644
  566    H    GLN  72           HN       GLN  72  -4.560 -11.327  14.472
  567    HA   GLN  72           HA       GLN  72  -2.692 -10.302  16.341
  568    HB2  GLN  72           HB2      GLN  72  -2.583  -9.903  13.891
  569    HB3  GLN  72           HB1      GLN  72  -4.001  -8.865  14.026
  570    HG2  GLN  72           HG2      GLN  72  -2.039  -7.457  14.071
  571    HG3  GLN  72           HG1      GLN  72  -2.744  -7.462  15.679
  572   HE21  GLN  72          HE21      GLN  72  -0.837  -7.190  16.940
  573   HE22  GLN  72          HE22      GLN  72   0.454  -8.293  16.921
  574    H    LEU  73           HN       LEU  73  -6.044  -9.485  15.596
  575    HA   LEU  73           HA       LEU  73  -6.214  -7.131  17.086
  576    HB2  LEU  73           HB2      LEU  73  -8.170  -9.150  16.082
  577    HB3  LEU  73           HB1      LEU  73  -8.742  -8.030  17.281
  578    HG   LEU  73           HG       LEU  73  -7.764  -6.167  15.790
  579   HD11  LEU  73          HD11      LEU  73  -7.921  -8.409  13.767
  580   HD12  LEU  73          HD12      LEU  73  -6.413  -7.767  14.418
  581   HD13  LEU  73          HD13      LEU  73  -7.472  -6.734  13.458
  582   HD21  LEU  73          HD21      LEU  73  -9.775  -6.111  14.431
  583   HD22  LEU  73          HD22      LEU  73 -10.172  -6.646  16.067
  584   HD23  LEU  73          HD23      LEU  73 -10.068  -7.820  14.750
  585    H    LYS  74           HN       LYS  74  -6.033 -10.387  18.097
  586    HA   LYS  74           HA       LYS  74  -7.256 -10.151  20.628
  587    HB2  LYS  74           HB2      LYS  74  -6.689 -12.321  19.562
  588    HB3  LYS  74           HB1      LYS  74  -4.978 -11.973  19.802
  589    HG2  LYS  74           HG2      LYS  74  -5.330 -11.874  22.242
  590    HG3  LYS  74           HG1      LYS  74  -7.040 -12.200  22.003
  591    HD2  LYS  74           HD2      LYS  74  -6.498 -14.363  20.966
  592    HD3  LYS  74           HD1      LYS  74  -4.781 -14.045  21.217
  593    HE2  LYS  74           HE2      LYS  74  -5.136 -13.945  23.646
  594    HE3  LYS  74           HE1      LYS  74  -6.863 -14.221  23.417
  595    HZ1  LYS  74           HZ1      LYS  74  -5.306 -16.202  23.937
  596    HZ2  LYS  74           HZ2      LYS  74  -4.917 -16.115  22.285
  597    HZ3  LYS  74           HZ3      LYS  74  -6.523 -16.384  22.770
  598    H    GLU  75           HN       GLU  75  -3.882  -9.765  19.598
  599    HA   GLU  75           HA       GLU  75  -2.906  -9.191  22.212
  600    HB2  GLU  75           HB2      GLU  75  -1.722  -8.725  19.470
  601    HB3  GLU  75           HB1      GLU  75  -0.858  -8.430  20.979
  602    HG2  GLU  75           HG2      GLU  75  -1.119 -10.773  21.629
  603    HG3  GLU  75           HG1      GLU  75  -2.076 -11.091  20.183
  604    H    GLN  76           HN       GLN  76  -4.447  -7.309  19.782
  605    HA   GLN  76           HA       GLN  76  -3.409  -4.774  20.295
  606    HB2  GLN  76           HB2      GLN  76  -6.182  -5.620  19.450
  607    HB3  GLN  76           HB1      GLN  76  -5.647  -3.950  19.480
  608    HG2  GLN  76           HG2      GLN  76  -4.278  -6.159  17.919
  609    HG3  GLN  76           HG1      GLN  76  -5.415  -5.004  17.223
  610   HE21  GLN  76          HE21      GLN  76  -2.196  -5.520  17.340
  611   HE22  GLN  76          HE22      GLN  76  -1.632  -3.920  17.360
  612    H    VAL  77           HN       VAL  77  -6.458  -6.100  21.609
  613    HA   VAL  77           HA       VAL  77  -6.906  -4.051  23.437
  614    HB   VAL  77           HB       VAL  77  -7.646  -6.963  23.684
  615   HG11  VAL  77          HG11      VAL  77  -8.384  -6.250  25.743
  616   HG12  VAL  77          HG12      VAL  77  -9.669  -5.463  24.841
  617   HG13  VAL  77          HG13      VAL  77  -8.253  -4.554  25.298
  618   HG21  VAL  77          HG21      VAL  77  -8.514  -6.194  21.604
  619   HG22  VAL  77          HG22      VAL  77  -8.913  -4.611  22.281
  620   HG23  VAL  77          HG23      VAL  77  -9.851  -6.023  22.748
  621    H    THR  78           HN       THR  78  -5.086  -7.072  23.803
  622    HA   THR  78           HA       THR  78  -4.596  -7.194  26.484
  623    HB   THR  78           HB       THR  78  -2.386  -7.478  24.437
  624    HG1  THR  78           HG1      THR  78  -4.434  -8.523  23.879
  625   HG21  THR  78          HG21      THR  78  -1.654  -9.265  25.978
  626   HG22  THR  78          HG22      THR  78  -3.015  -8.898  27.038
  627   HG23  THR  78          HG23      THR  78  -1.739  -7.705  26.797
  628    H    SER  79           HN       SER  79  -2.900  -5.100  24.150
  629    HA   SER  79           HA       SER  79  -1.260  -3.849  26.149
  630    HB2  SER  79           HB2      SER  79  -0.577  -3.960  23.784
  631    HB3  SER  79           HB1      SER  79  -1.941  -2.936  23.345
  632    HG   SER  79           HG       SER  79  -1.023  -1.256  24.384
  633    H    ALA  80           HN       ALA  80  -4.374  -3.182  24.657
  634    HA   ALA  80           HA       ALA  80  -4.707  -0.516  25.463
  635    HB1  ALA  80           HB1      ALA  80  -6.187  -1.804  23.866
  636    HB2  ALA  80           HB2      ALA  80  -7.054  -0.843  25.063
  637    HB3  ALA  80           HB3      ALA  80  -6.905  -2.586  25.273
  638    H    LEU  81           HN       LEU  81  -5.732  -3.521  27.080
  639    HA   LEU  81           HA       LEU  81  -6.737  -2.223  29.405
  640    HB2  LEU  81           HB2      LEU  81  -5.731  -5.059  29.146
  641    HB3  LEU  81           HB1      LEU  81  -6.848  -4.432  30.365
  642    HG   LEU  81           HG       LEU  81  -7.363  -4.477  27.388
  643   HD11  LEU  81          HD11      LEU  81  -8.365  -6.238  29.645
  644   HD12  LEU  81          HD12      LEU  81  -7.425  -6.746  28.241
  645   HD13  LEU  81          HD13      LEU  81  -9.092  -6.206  28.039
  646   HD21  LEU  81          HD21      LEU  81  -8.908  -3.484  29.782
  647   HD22  LEU  81          HD22      LEU  81  -9.774  -4.056  28.358
  648   HD23  LEU  81          HD23      LEU  81  -8.657  -2.704  28.221
  649    H    GLY  82           HN       GLY  82  -3.582  -3.398  28.461
  650    HA2  GLY  82           HA2      GLY  82  -1.539  -2.657  29.356
  651    HA3  GLY  82           HA1      GLY  82  -2.392  -2.031  30.761
  652    H    LEU  83           HN       LEU  83  -3.357  -5.174  29.907
  653    HA   LEU  83           HA       LEU  83  -2.373  -6.296  32.320
  654    HB2  LEU  83           HB2      LEU  83  -3.804  -7.298  29.893
  655    HB3  LEU  83           HB1      LEU  83  -2.981  -8.518  30.862
  656    HG   LEU  83           HG       LEU  83  -4.200  -7.417  32.890
  657   HD11  LEU  83          HD11      LEU  83  -6.203  -6.583  30.821
  658   HD12  LEU  83          HD12      LEU  83  -4.915  -5.465  31.279
  659   HD13  LEU  83          HD13      LEU  83  -6.042  -6.055  32.492
  660   HD21  LEU  83          HD21      LEU  83  -5.583  -9.015  30.742
  661   HD22  LEU  83          HD22      LEU  83  -6.299  -8.708  32.324
  662   HD23  LEU  83          HD23      LEU  83  -4.788  -9.612  32.200
  663    H    GLU  84           HN       GLU  84  -1.267  -6.468  28.975
  664    HA   GLU  84           HA       GLU  84   0.705  -7.214  28.069
  665    HB2  GLU  84           HB2      GLU  84   1.650  -6.448  30.841
  666    HB3  GLU  84           HB1      GLU  84   2.733  -6.883  29.522
  667    HG2  GLU  84           HG2      GLU  84   0.687  -4.653  29.377
  668    HG3  GLU  84           HG1      GLU  84   2.391  -4.409  29.753
  669    H    HIS  85           HN       HIS  85  -1.083  -9.066  29.698
  670    HA   HIS  85           HA       HIS  85   0.827 -11.098  30.599
  671    HB2  HIS  85           HB2      HIS  85  -1.233 -10.625  31.911
  672    HB3  HIS  85           HB1      HIS  85  -2.198 -11.179  30.544
  673    HD2  HIS  85           HD2      HIS  85   0.007 -12.685  33.401
  674    HE1  HIS  85           HE1      HIS  85  -1.506 -15.897  31.117
  675    HE2  HIS  85           HE2      HIS  85  -0.251 -15.278  33.236
  676    H    HIS  86           HN       HIS  86   1.557 -12.640  29.303
  677    HA   HIS  86           HA       HIS  86  -0.133 -13.900  27.334
  678    HB2  HIS  86           HB2      HIS  86   0.722 -11.808  26.188
  679    HB3  HIS  86           HB1      HIS  86   2.341 -12.493  26.321
  680    HD2  HIS  86           HD2      HIS  86  -1.102 -13.508  24.602
  681    HE1  HIS  86           HE1      HIS  86   2.066 -15.466  22.614
  682    HE2  HIS  86           HE2      HIS  86  -0.440 -15.052  22.603
  683    H    HIS  87           HN       HIS  87   1.204 -14.826  29.636
  684    HA   HIS  87           HA       HIS  87   3.711 -16.023  29.084
  685    HB2  HIS  87           HB2      HIS  87   2.756 -15.713  31.369
  686    HB3  HIS  87           HB1      HIS  87   1.582 -16.981  31.011
  687    HD2  HIS  87           HD2      HIS  87   5.196 -16.676  32.272
  688    HE1  HIS  87           HE1      HIS  87   4.656 -20.720  31.189
  689    HE2  HIS  87           HE2      HIS  87   6.195 -19.086  32.376
  690    H    HIS  88           HN       HIS  88   0.378 -17.228  28.830
  691    HA   HIS  88           HA       HIS  88  -0.516 -19.031  27.721
  692    HB2  HIS  88           HB2      HIS  88   0.634 -17.856  25.809
  693    HB3  HIS  88           HB1      HIS  88   2.009 -18.933  26.058
  694    HD2  HIS  88           HD2      HIS  88   1.767 -21.286  24.638
  695    HE1  HIS  88           HE1      HIS  88  -2.422 -21.248  24.113
  696    HE2  HIS  88           HE2      HIS  88  -0.281 -22.498  23.563
  697    H    HIS  89           HN       HIS  89   0.202 -21.352  26.830
  698    HA   HIS  89           HA       HIS  89   0.851 -23.459  27.476
  699    HB2  HIS  89           HB2      HIS  89   3.038 -22.642  26.729
  700    HB3  HIS  89           HB1      HIS  89   3.336 -21.946  28.321
  701    HD2  HIS  89           HD2      HIS  89   4.341 -23.755  30.195
  702    HE1  HIS  89           HE1      HIS  89   3.819 -27.262  27.904
  703    HE2  HIS  89           HE2      HIS  89   4.786 -26.323  30.056
  704    H    HIS  90           HN       HIS  90   2.973 -22.532  29.974
  705    HA   HIS  90           HA       HIS  90   1.083 -22.363  32.116
  706    HB2  HIS  90           HB2      HIS  90   0.842 -24.759  31.594
  707    HB3  HIS  90           HB1      HIS  90   2.583 -24.973  31.782
  708    HD2  HIS  90           HD2      HIS  90   3.365 -25.465  34.396
  709    HE1  HIS  90           HE1      HIS  90  -0.210 -24.274  36.302
  710    HE2  HIS  90           HE2      HIS  90   2.085 -25.298  36.667