*HEADER    TOXIN                                   12-DEC-15   2N9V              
*TITLE     SOLUTION NMR STRUCTURE OF THE MEMBRANE LOCALIZATION DOMAIN FROM       
*TITLE    2 PASTEURELLA MULTOCIDA TOXIN                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DERMONECROTIC TOXIN;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 589-670;                                          
*COMPND   5 SYNONYM: DNT, MITOGENIC TOXIN, PMT;                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PASTEURELLA MULTOCIDA;                          
*SOURCE   3 ORGANISM_TAXID: 747;                                                 
*SOURCE   4 GENE: TOXA;                                                          
*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 2N9V    0                                                


!
! Converted from final Marvin NOEs
! Low-likelihood assignments were removed
!
! 
! peak name 3dC10
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 40600.000000
! from proton shift 0.205000
! to proton shift 3.477000
! from heavyatom shift 13.397000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 10
! 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 27 and resn ile and name hd*) (resid 27 and resn ile and name ha) 3.650000 1.850000 1.850000 
    or (resid 27 and resn ile and name hd*) (resid 54 and resn ile and name ha) 
 
! 
! peak name 3dC100
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 311000.000000
! from proton shift 4.091000
! to proton shift 1.244000
! from heavyatom shift 66.392000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 100
! 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 75 and resn thr and name ha) (resid 75 and resn thr and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1000
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 97600.000000
! from proton shift 3.235000
! to proton shift 4.466000
! from heavyatom shift 36.899000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1000
! 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
! 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 PHE and name hb*) (resid 70 and resn phe and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1002
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 176000.000000
! from proton shift 3.216000
! to proton shift 0.952000
! from heavyatom shift 36.872000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1002
! 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 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 70 and resn PHE and name hb*) (resid 54 and resn ile and name hg2#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1004
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 145000.000000
! from proton shift 2.637000
! to proton shift 4.370000
! from heavyatom shift 40.510000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1004
! 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 41 and resn ASP and name hb*) (resid 41 and resn asp and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1005
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 1.522000
! to proton shift 1.056000
! from heavyatom shift 41.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1005
! 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 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 LEU and name hb*) (resid 67 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1006
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 112000.000000
! from proton shift 1.528000
! to proton shift 0.953000
! from heavyatom shift 41.483000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1006
! note degeneracy 95, 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 73 and resn LEU and name hb*) (resid 73 and resn leu and name hg) 2.800000 1.000000 1.000000 
    or (resid 73 and resn LEU and name hb*) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dC1007
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 1.519000
! to proton shift 1.165000
! from heavyatom shift 41.630000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1007
! 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 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 67 and resn LEU and name hb*) (resid 67 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 67 and resn LEU and name hb*) (resid 67 and resn leu and name hg) 
    or (resid 73 and resn LEU and name hb*) (resid 9 and resn LEU and name hd*) 
 
! 
! peak name 3dC1008
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64100.000000
! from proton shift 1.472000
! to proton shift 4.100000
! from heavyatom shift 41.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1008
! note degeneracy 135, 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 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 9 and resn LEU and name hb*) (resid 10 and resn lys and name ha) 3.400000 1.600000 1.600000 
    or (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name ha) 
 
! 
! peak name 3dC1009
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 2.018000
! to proton shift 3.768000
! from heavyatom shift 41.103000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1009
! 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 9 and resn LEU and name hb*) (resid 9 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC101
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 198000.000000
! from proton shift 4.125000
! to proton shift 2.019000
! from heavyatom shift 66.145000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 101
! note degeneracy 52, 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 pro and name ha) (resid 6 and resn PRO and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1010
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27200.000000
! from proton shift 1.468000
! to proton shift 3.933000
! from heavyatom shift 41.013000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1010
! note degeneracy 76, 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 50 and resn LEU and name hb*) (resid 47 and resn met and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1011
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46700.000000
! from proton shift 1.989000
! to proton shift 3.924000
! from heavyatom shift 40.920000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1011
! 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 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 met and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1012
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 98800.000000
! from proton shift 1.890000
! to proton shift 0.893000
! from heavyatom shift 39.185000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1012
! 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 39 and resn ile and name hb) (resid 39 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1013
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79100.000000
! from proton shift 1.893000
! to proton shift 1.598000
! from heavyatom shift 39.193000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1013
! 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 39 and resn ile and name hb) (resid 39 and resn ile and name hg2#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1018
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 2.004000
! to proton shift 0.897000
! from heavyatom shift 41.003000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1018
! 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 50 and resn LEU and name hb*) (resid 50 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1019
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63100.000000
! from proton shift 2.007000
! to proton shift 4.106000
! from heavyatom shift 41.057000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1019
! note degeneracy 56, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn LEU and name hb*) (resid 10 and resn lys and name ha) 3.400000 1.600000 1.600000 
    or (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name ha) 
 
! 
! peak name 3dC102
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 287000.000000
! from proton shift 4.122000
! to proton shift 2.321000
! from heavyatom shift 66.174000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 102
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn pro and name ha) (resid 6 and resn PRO and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1020
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 54100.000000
! from proton shift 1.590000
! to proton shift 0.881000
! from heavyatom shift 29.662000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1020
! note degeneracy 100, 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 22 and resn GLU and name hb*) (resid 25 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1021
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 145000.000000
! from proton shift 1.592000
! to proton shift 2.754000
! from heavyatom shift 29.576000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1021
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LYS and name hd*) (resid 10 and resn LYS and name he*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1024
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 184000.000000
! from proton shift 1.897000
! to proton shift 3.820000
! from heavyatom shift 28.827000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1024
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 GLU and name hb*) (resid 7 and resn glu and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1025
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 3.481000
! to proton shift 4.196000
! from heavyatom shift 28.565000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1025
! 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 48 and resn HIS and name hb*) (resid 48 and resn his and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1026
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 0.900000
! to proton shift 1.154000
! from heavyatom shift 28.865000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1026
! note degeneracy 10, 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 50 and resn leu and name hg) (resid 50 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1029
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 45300.000000
! from proton shift 0.968000
! to proton shift 1.156000
! from heavyatom shift 27.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1029
! note degeneracy 10, 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 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn leu and name hg) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 73 and resn leu and name hg) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dC103
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 333000.000000
! from proton shift 4.093000
! to proton shift 4.279000
! from heavyatom shift 66.403000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 103
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 thr and name ha) (resid 75 and resn thr and name hb) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1030
! bounds 6.000000 1.800000
! likelihood 0.940000
! intensity 11300.000000
! from proton shift 0.973000
! to proton shift 1.754000
! from heavyatom shift 27.828000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1030
! 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 0, 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 54 and resn ile and name hg11) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1031
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 107000.000000
! from proton shift 0.964000
! to proton shift 1.420000
! from heavyatom shift 27.899000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1031
! 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 73 and resn leu and name hg) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1032
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 1.499000
! to proton shift 0.882000
! from heavyatom shift 27.393000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1032
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn leu and name hg) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1034
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 59100.000000
! from proton shift 3.832000
! to proton shift 0.530000
! from heavyatom shift 58.419000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1034
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn leu and name ha) (resid 27 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1035
! bounds 3.300000 1.800000
! likelihood 0.940000
! intensity 137000.000000
! from proton shift 3.852000
! to proton shift 3.194000
! from heavyatom shift 58.215000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1035
! note degeneracy 60, 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 67 and resn leu and name ha) (resid 70 and resn PHE and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1036
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 139000.000000
! from proton shift 3.679000
! to proton shift 0.858000
! from heavyatom shift 59.993000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1036
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn glu and name ha) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1037
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 111000.000000
! from proton shift 3.680000
! to proton shift 2.347000
! from heavyatom shift 60.039000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1037
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 glu and name ha) (resid 78 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1038
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 87300.000000
! from proton shift 3.677000
! to proton shift 2.514000
! from heavyatom shift 60.058000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1038
! 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 78 and resn glu and name ha) (resid 78 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1039
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74000.000000
! from proton shift 3.687000
! to proton shift 1.796000
! from heavyatom shift 60.102000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1039
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn glu and name ha) (resid 81 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC104
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67700.000000
! from proton shift 2.767000
! to proton shift 0.341000
! from heavyatom shift 41.729000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_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 10 and resn LYS and name he*) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1041
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 107000.000000
! from proton shift 4.206000
! to proton shift 0.408000
! from heavyatom shift 60.495000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1041
! 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 48 and resn his and name ha) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1042
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 261000.000000
! from proton shift 4.284000
! to proton shift 0.757000
! from heavyatom shift 60.675000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1042
! 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 3 and resn val and name ha) (resid 3 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1043
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 218000.000000
! from proton shift 4.283000
! to proton shift 0.981000
! from heavyatom shift 60.688000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1043
! 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 3 and resn val and name ha) (resid 3 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1045
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 185000.000000
! from proton shift 4.204000
! to proton shift 3.351000
! from heavyatom shift 60.491000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1045
! 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 48 and resn his and name ha) (resid 48 and resn HIS and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1046
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 4.205000
! to proton shift 3.462000
! from heavyatom shift 60.572000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1046
! 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 48 and resn his and name ha) (resid 48 and resn HIS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1049
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39400.000000
! from proton shift 4.162000
! to proton shift 0.898000
! from heavyatom shift 45.243000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1049
! 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 17 and resn GLY and name ha*) (resid 16 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC105
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 57400.000000
! from proton shift 2.765000
! to proton shift 3.824000
! from heavyatom shift 41.747000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 105
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LYS and name he*) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1051
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46600.000000
! from proton shift 4.524000
! to proton shift 2.172000
! from heavyatom shift 55.022000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1051
! note degeneracy 50, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 69 and resn ala and name ha) (resid 72 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 69 and resn ala and name ha) (resid 72 and resn GLU and name hb*) 
 
! 
! peak name 3dC1052
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 20600.000000
! from proton shift 4.502000
! to proton shift 2.070000
! from heavyatom shift 54.845000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1052
! note degeneracy 29, 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 69 and resn ala and name ha) (resid 72 and resn GLU and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1053
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 396000.000000
! from proton shift 4.522000
! to proton shift 1.408000
! from heavyatom shift 54.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1053
! note degeneracy 22, 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 69 and resn ala and name ha) (resid 69 and resn ala and name hb#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1054
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 204000.000000
! from proton shift 4.230000
! to proton shift 1.775000
! from heavyatom shift 55.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1054
! note degeneracy 38, 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 hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1055
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 3.967000
! to proton shift 3.465000
! from heavyatom shift 47.599000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1055
! 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 0, with previousLikelihood range 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 GLY and name ha*) (resid 48 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1056
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54700.000000
! from proton shift 1.441000
! to proton shift 4.220000
! from heavyatom shift 43.626000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1056
! 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 81 and resn LEU and name hb*) (resid 81 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1057
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54400.000000
! from proton shift 1.805000
! to proton shift 4.223000
! from heavyatom shift 43.579000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1057
! 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 81 and resn LEU and name hb*) (resid 81 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1058
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 226000.000000
! from proton shift 1.804000
! to proton shift 1.434000
! from heavyatom shift 43.661000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1058
! note degeneracy 22, 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 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 hb*) (resid 81 and resn leu and name hg) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC106
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 1.780000
! to proton shift 0.342000
! from heavyatom shift 41.794000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 106
! 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 28 and resn LEU and name hb*) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1060
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65800.000000
! from proton shift 2.075000
! to proton shift 0.926000
! from heavyatom shift 44.034000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1060
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 LEU and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1062
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65200.000000
! from proton shift 2.080000
! to proton shift 3.807000
! from heavyatom shift 44.113000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1062
! 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 46 and resn LEU and name hb*) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1064
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 97300.000000
! from proton shift 3.295000
! to proton shift 1.450000
! from heavyatom shift 43.841000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1064
! note degeneracy 72, 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 74 and resn ARG and name hd*) (resid 74 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1065
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 253000.000000
! from proton shift 3.177000
! to proton shift 1.954000
! from heavyatom shift 43.462000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1065
! note degeneracy 102, 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 71 and resn ARG and name hd*) (resid 71 and resn ARG and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1067
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 43200.000000
! from proton shift 2.129000
! to proton shift 1.773000
! from heavyatom shift 34.139000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1067
! note degeneracy 38, 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 47 and resn MET and name hg*) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1068
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 247000.000000
! from proton shift 2.231000
! to proton shift 3.677000
! from heavyatom shift 32.961000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1068
! 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 51 and resn MET and name hb*) (resid 51 and resn met and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1069
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 130000.000000
! from proton shift 2.354000
! to proton shift 4.089000
! from heavyatom shift 29.803000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1069
! note degeneracy 90, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn GLU and name hb*) (resid 59 and resn glu and name ha) 2.550000 0.750000 0.750000 
    or (resid 78 and resn GLU and name hb*) (resid 75 and resn thr and name ha) 
 
! 
! peak name 3dC107
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 97400.000000
! from proton shift 1.412000
! to proton shift 0.341000
! from heavyatom shift 41.844000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 107
! 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 28 and resn LEU and name hb*) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1070
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 140000.000000
! from proton shift 2.248000
! to proton shift 4.238000
! from heavyatom shift 29.831000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1070
! note degeneracy 96, 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 65 and resn GLU and name hb*) (resid 65 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1071
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47100.000000
! from proton shift 2.227000
! to proton shift 3.923000
! from heavyatom shift 30.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1071
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn ARG and name hb*) (resid 71 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1072
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 2.021000
! to proton shift 3.731000
! from heavyatom shift 27.224000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1072
! 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 19 and resn PRO and name hg*) (resid 19 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1073
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 148000.000000
! from proton shift 2.014000
! to proton shift 4.000000
! from heavyatom shift 27.180000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1073
! note degeneracy 88, 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 19 and resn PRO and name hg*) (resid 19 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1074
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 86700.000000
! from proton shift 2.018000
! to proton shift 3.388000
! from heavyatom shift 27.367000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1074
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 3dC1075
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 264000.000000
! from proton shift 2.023000
! to proton shift 2.316000
! from heavyatom shift 27.187000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1075
! note degeneracy 48, 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 19 and resn PRO and name hg*) (resid 19 and resn PRO and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1076
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 249000.000000
! from proton shift 1.716000
! to proton shift 0.738000
! from heavyatom shift 27.429000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1076
! note degeneracy 35, 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 20 and resn ile and name hg11) (resid 20 and resn ile and name hd*) 2.500000 0.700000 0.700000 
    or (resid 20 and resn ile and name hg11) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dC1078
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 3.850000
! to proton shift 4.497000
! from heavyatom shift 63.224000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1078
! 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 37 and resn SER and name hb*) (resid 37 and resn ser and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC108
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16800.000000
! from proton shift 1.408000
! to proton shift 3.673000
! from heavyatom shift 41.867000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 108
! 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 28 and resn LEU and name hb*) (resid 25 and resn lys and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1080
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 114000.000000
! from proton shift 4.295000
! to proton shift 4.014000
! from heavyatom shift 68.722000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1080
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn thr and name hb) (resid 72 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1084
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29500.000000
! from proton shift 3.412000
! to proton shift 1.643000
! from heavyatom shift 66.442000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1084
! 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 34 and resn ile and name ha) (resid 31 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1085
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 224000.000000
! from proton shift 3.493000
! to proton shift 0.953000
! from heavyatom shift 66.210000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1085
! 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 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
! 
assign (resid 54 and resn ile and name ha) (resid 54 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
    or (resid 8 and resn val and name ha) (resid 8 and resn VAL and name hg*) 
 
! 
! peak name 3dC1086
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41200.000000
! from proton shift 3.483000
! to proton shift 3.116000
! from heavyatom shift 66.319000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1086
! note degeneracy 48, 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 54 and resn ile and name ha) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1087
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69200.000000
! from proton shift 3.492000
! to proton shift 3.318000
! from heavyatom shift 66.255000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1087
! 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 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 54 and resn ile and name ha) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC109
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52700.000000
! from proton shift 1.776000
! to proton shift 3.673000
! from heavyatom shift 41.905000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 109
! 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 28 and resn LEU and name hb*) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000 

! 
! peak name 3dC1094
! bounds 5.000000 1.800000
! likelihood 0.930000
! intensity 39200.000000
! from proton shift 4.105000
! to proton shift 0.905000
! from heavyatom shift 62.667000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1094
! 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 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 20 and resn ile and name ha) (resid 25 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1097
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 322000.000000
! from proton shift 4.199000
! to proton shift 0.844000
! from heavyatom shift 61.686000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1097
! 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 15 and resn val and name ha) (resid 15 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1098
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 97900.000000
! from proton shift 4.202000
! to proton shift 1.921000
! from heavyatom shift 61.717000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1098
! note degeneracy 35, 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 15 and resn val and name ha) (resid 15 and resn val and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1099
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 107000.000000
! from proton shift 4.066000
! to proton shift 3.323000
! from heavyatom shift 61.904000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1099
! 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 57 and resn tyr and name ha) (resid 57 and resn TYR and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC11
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 17400.000000
! from proton shift 0.204000
! to proton shift 3.110000
! from heavyatom shift 13.453000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 11
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hd*) (resid 57 and resn TYR and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC110
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 117000.000000
! from proton shift 1.885000
! to proton shift 4.168000
! from heavyatom shift 42.189000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 110
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn LEU and name hb*) (resid 56 and resn leu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1100
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 459000.000000
! from proton shift 4.360000
! to proton shift 1.267000
! from heavyatom shift 51.320000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1100
! 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 13 and resn ala and name ha) (resid 13 and resn ala and name hb#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1101
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 303000.000000
! from proton shift 4.008000
! to proton shift 2.012000
! from heavyatom shift 51.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1101
! 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 19 and resn PRO and name hd*) (resid 19 and resn PRO and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1102
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 440000.000000
! from proton shift 4.402000
! to proton shift 0.841000
! from heavyatom shift 54.234000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1102
! 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 83 and resn leu and name ha) (resid 83 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1103
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 293000.000000
! from proton shift 4.402000
! to proton shift 1.549000
! from heavyatom shift 54.247000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1103
! 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 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 83 and resn leu and name ha) (resid 83 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
    or (resid 83 and resn leu and name ha) (resid 83 and resn leu and name hg) 
 
! 
! peak name 3dC1106
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 184000.000000
! from proton shift 4.037000
! to proton shift 1.400000
! from heavyatom shift 56.725000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1106
! 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 12 and resn arg and name ha) (resid 12 and resn ARG and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1107
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 4.038000
! to proton shift 1.616000
! from heavyatom shift 56.739000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1107
! 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 12 and resn arg and name ha) (resid 12 and resn ARG and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1109
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 167000.000000
! from proton shift 4.185000
! to proton shift 1.895000
! from heavyatom shift 56.508000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1109
! note degeneracy 32, 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 84 and resn glu and name ha) (resid 84 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1110
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 87600.000000
! from proton shift 4.182000
! to proton shift 2.099000
! from heavyatom shift 56.499000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1110
! 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 84 and resn glu and name ha) (resid 84 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1111
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79600.000000
! from proton shift 3.553000
! to proton shift 1.425000
! from heavyatom shift 57.416000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1111
! 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 73 and resn leu and name ha) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1112
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 60200.000000
! from proton shift 3.560000
! to proton shift 0.959000
! from heavyatom shift 57.386000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1112
! note degeneracy 34, 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 73 and resn leu and name ha) (resid 73 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1113
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39700.000000
! from proton shift 3.538000
! to proton shift 1.876000
! from heavyatom shift 57.535000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1113
! 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 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 73 and resn leu and name ha) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1114
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 3.554000
! to proton shift 2.134000
! from heavyatom shift 57.415000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1114
! 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 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 73 and resn leu and name ha) (resid 73 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1115
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37600.000000
! from proton shift 3.554000
! to proton shift 2.341000
! from heavyatom shift 57.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1115
! note degeneracy 34, 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 73 and resn leu and name ha) (resid 76 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1116
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74000.000000
! from proton shift 3.554000
! to proton shift 2.469000
! from heavyatom shift 57.458000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1116
! 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 0, 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 76 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1117
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 126000.000000
! from proton shift 4.353000
! to proton shift 0.893000
! from heavyatom shift 60.132000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1117
! 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 39 and resn ile and name ha) (resid 39 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC112
! bounds 6.000000 1.800000
! likelihood 0.940000
! intensity 27500.000000
! from proton shift 1.796000
! to proton shift 2.113000
! from heavyatom shift 33.515000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 112
! note degeneracy 52, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn MET and name hg*) (resid 44 and resn GLN and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1121
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 126000.000000
! from proton shift 4.278000
! to proton shift 3.005000
! from heavyatom shift 59.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1121
! 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 35 and resn his and name ha) (resid 35 and resn HIS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1123
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 35700.000000
! from proton shift 3.731000
! to proton shift 0.800000
! from heavyatom shift 63.502000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1123
! 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 37 and resn SER and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1124
! bounds 2.700000 1.800000
! likelihood 0.950000
! intensity 468000.000000
! from proton shift 3.690000
! to proton shift 1.888000
! from heavyatom shift 60.914000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1124
! note degeneracy 90, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 45, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 45, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn arg and name ha) (resid 74 and resn ARG and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1125
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 87600.000000
! from proton shift 3.940000
! to proton shift 3.120000
! from heavyatom shift 60.841000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1125
! 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 47 and resn met and name ha) (resid 47 and resn MET and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1126
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 80500.000000
! from proton shift 3.814000
! to proton shift 1.652000
! from heavyatom shift 61.011000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1126
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn arg and name ha) (resid 43 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1129
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 126000.000000
! from proton shift 3.943000
! to proton shift 1.776000
! from heavyatom shift 60.932000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1129
! note degeneracy 38, 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 47 and resn met and name ha) (resid 47 and resn MET and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC113
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 119000.000000
! from proton shift 1.795000
! to proton shift 2.471000
! from heavyatom shift 33.512000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 113
! 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 47 and resn MET and name hg*) (resid 47 and resn MET and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1130
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74100.000000
! from proton shift 3.891000
! to proton shift 1.740000
! from heavyatom shift 50.294000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1130
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 PRO and name hd*) (resid 6 and resn PRO and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1131
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66500.000000
! from proton shift 3.885000
! to proton shift 0.984000
! from heavyatom shift 50.269000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1131
! 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 6 and resn PRO and name hd*) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 6 and resn PRO and name hd*) (resid 5 and resn thr and name hg1) 
 
! 
! peak name 3dC1132
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56700.000000
! from proton shift 3.882000
! to proton shift 2.037000
! from heavyatom shift 50.256000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1132
! note degeneracy 29, with previousLikelihood range 0.900000  .. 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1135
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44700.000000
! from proton shift 1.463000
! to proton shift 3.696000
! from heavyatom shift 28.274000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1135
! 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 74 and resn ARG and name hg*) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000 
    or (resid 74 and resn ARG and name hg*) (resid 74 and resn arg and name ha) 
 
! 
! peak name 3dC1136
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 311000.000000
! from proton shift 1.477000
! to proton shift 1.899000
! from heavyatom shift 28.895000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1136
! note degeneracy 102, 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 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 61 and resn GLN and name hb*) (resid 61 and resn GLN and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1137
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 134000.000000
! from proton shift 2.267000
! to proton shift 2.682000
! from heavyatom shift 28.155000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1137
! 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 44 and resn GLN and name hb*) (resid 44 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1139
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41700.000000
! from proton shift 1.386000
! to proton shift 4.027000
! from heavyatom shift 29.964000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1139
! 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 12 and resn ARG and name hb*) (resid 12 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC114
! bounds 2.700000 1.800000
! likelihood 0.960000
! intensity 185000.000000
! from proton shift 2.421000
! to proton shift 4.035000
! from heavyatom shift 33.592000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 114
! note degeneracy 56, 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 32 and resn GLN and name hg*) (resid 32 and resn gln and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1140
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 1.649000
! to proton shift 2.885000
! from heavyatom shift 29.618000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1140
! 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 79 and resn LYS and name hd*) (resid 79 and resn LYS and name he*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1141
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29600.000000
! from proton shift 2.137000
! to proton shift 0.863000
! from heavyatom shift 37.443000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1141
! 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 78 and resn GLU and name hg*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1143
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54800.000000
! from proton shift 1.888000
! to proton shift 1.051000
! from heavyatom shift 41.708000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1143
! 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 67 and resn LEU and name hb*) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1144
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 88200.000000
! from proton shift 3.157000
! to proton shift 1.421000
! from heavyatom shift 42.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1144
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn LYS and name he*) (resid 18 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1146
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16400.000000
! from proton shift 1.579000
! to proton shift 4.196000
! from heavyatom shift 42.851000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1146
! 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 31 and resn LEU and name hb*) (resid 31 and resn leu and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1147
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41500.000000
! from proton shift 2.132000
! to proton shift 4.190000
! from heavyatom shift 42.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1147
! note degeneracy 38, 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 LEU and name hb*) (resid 31 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1150
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 72400.000000
! from proton shift 3.911000
! to proton shift 1.985000
! from heavyatom shift 57.742000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1150
! note degeneracy 78, 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 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 77 and resn leu and name ha) (resid 78 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 66 and resn arg and name ha) (resid 65 and resn GLU and name hb*) 
 
! 
! peak name 3dC1151
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 93900.000000
! from proton shift 3.920000
! to proton shift 2.170000
! from heavyatom shift 57.786000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1151
! note degeneracy 75, 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 77 and resn leu and name ha) (resid 77 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1159
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38600.000000
! from proton shift 4.030000
! to proton shift 1.245000
! from heavyatom shift 59.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1159
! note degeneracy 96, 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 72 and resn glu and name ha) (resid 75 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1160
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64400.000000
! from proton shift 3.829000
! to proton shift 2.340000
! from heavyatom shift 60.128000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1160
! note degeneracy 16, 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 7 and resn glu and name ha) (resid 6 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
    or (resid 7 and resn glu and name ha) (resid 7 and resn GLU and name hg*) 
 
! 
! peak name 3dC1161
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 3.829000
! to proton shift 2.226000
! from heavyatom shift 60.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1161
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 glu and name ha) (resid 7 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1166
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 151000.000000
! from proton shift 4.452000
! to proton shift 2.956000
! from heavyatom shift 57.002000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1166
! 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 68 and resn asn and name ha) (resid 68 and resn ASN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1167
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 167000.000000
! from proton shift 4.453000
! to proton shift 2.885000
! from heavyatom shift 56.989000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1167
! 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 68 and resn asn and name ha) (resid 68 and resn ASN and name hb*) 2.550000 0.750000 0.750000 

! 
! peak name 3dC1173
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54600.000000
! from proton shift 1.281000
! to proton shift 3.941000
! from heavyatom shift 18.203000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1173
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ala and name hb#) (resid 14 and resn SER and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1175
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38600.000000
! from proton shift 0.956000
! to proton shift 2.215000
! from heavyatom shift 17.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1175
! 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 54 and resn ile and name hg2#) (resid 51 and resn MET and name hb*) 3.650000 1.850000 1.850000 
    or (resid 54 and resn ile and name hg2#) (resid 74 and resn ARG and name hb*) 
 
! 
! peak name 3dC1176
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 75500.000000
! from proton shift 0.957000
! to proton shift 0.513000
! from heavyatom shift 17.637000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1176
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 hg12) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1177
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 69300.000000
! from proton shift 0.414000
! to proton shift 1.907000
! from heavyatom shift 25.204000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1177
! note degeneracy 68, 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 56 and resn leu and name hg) (resid 52 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1179
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 0.986000
! to proton shift 1.836000
! from heavyatom shift 21.636000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1179
! 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 3 and resn VAL and name hg*) (resid 3 and resn val and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1184
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 69900.000000
! from proton shift 0.993000
! to proton shift 1.905000
! from heavyatom shift 21.674000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1184
! note degeneracy 34, 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 3 and resn VAL and name hg*) (resid 76 and resn GLN and name hb*) 3.900000 2.100000 2.100000 
    or (resid 3 and resn VAL and name hg*) (resid 34 and resn ile and name hg12) 
    or (resid 3 and resn VAL and name hg*) (resid 39 and resn ile and name hg2#) 
 
! 
! peak name 3dC1186
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76600.000000
! from proton shift 0.981000
! to proton shift 4.272000
! from heavyatom shift 21.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1186
! 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 3 and resn VAL and name hg*) (resid 3 and resn val and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1188
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 163000.000000
! from proton shift 0.890000
! to proton shift 4.188000
! from heavyatom shift 21.459000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1188
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn VAL and name hg*) (resid 14 and resn ser and name ha) 2.800000 1.000000 1.000000 
    or (resid 15 and resn VAL and name hg*) (resid 15 and resn val and name ha) 
 
! 
! peak name 3dC1192
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 0.930000
! to proton shift 4.148000
! from heavyatom shift 22.440000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1192
! note degeneracy 56, 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 53 and resn LEU and name hd*) (resid 53 and resn leu and name ha) 2.500000 0.700000 0.700000 
    or (resid 46 and resn LEU and name hd*) (resid 46 and resn leu and name ha) 
 
! 
! peak name 3dC1193
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64600.000000
! from proton shift 0.938000
! to proton shift 1.448000
! from heavyatom shift 22.568000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1193
! note degeneracy 69, 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn LEU and name hd*) (resid 30 and resn LYS and name hg*) 3.650000 1.850000 1.850000 
    or (resid 46 and resn LEU and name hd*) (resid 50 and resn LEU and name hb*) 
    or (resid 46 and resn LEU and name hd*) (resid 53 and resn LEU and name hb*) 
    or (resid 53 and resn LEU and name hd*) (resid 30 and resn LYS and name hg*) 
    or (resid 53 and resn LEU and name hd*) (resid 50 and resn LEU and name hb*) 
    or (resid 53 and resn LEU and name hd*) (resid 53 and resn LEU and name hb*) 
 
! 
! peak name 3dC1195
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 1.256000
! to proton shift 4.280000
! from heavyatom shift 22.172000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1195
! 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 75 and resn thr and name hg2#) (resid 75 and resn thr and name hb) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1196
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 84500.000000
! from proton shift 1.459000
! to proton shift 4.088000
! from heavyatom shift 25.405000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1196
! note degeneracy 116, 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 79 and resn LYS and name hg*) (resid 79 and resn lys and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1197
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59200.000000
! from proton shift 0.847000
! to proton shift 4.391000
! from heavyatom shift 22.745000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1197
! 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 83 and resn LEU and name hd*) (resid 83 and resn leu and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1198
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 290000.000000
! from proton shift 0.883000
! to proton shift 0.408000
! from heavyatom shift 23.350000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1198
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn LEU and name hd*) (resid 56 and resn leu and name hg) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC12
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 7550.000000
! from proton shift 0.207000
! to proton shift 3.330000
! from heavyatom shift 13.307000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 12
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hd*) (resid 57 and resn TYR and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC120
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 187000.000000
! from proton shift 0.850000
! to proton shift 3.487000
! from heavyatom shift 23.146000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 120
! 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 8 and resn VAL and name hg*) (resid 8 and resn val and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1200
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69800.000000
! from proton shift 0.351000
! to proton shift 1.403000
! from heavyatom shift 24.771000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1200
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn LEU and name hd*) (resid 11 and resn ala and name hb#) 3.900000 2.100000 2.100000 
    or (resid 28 and resn LEU and name hd*) (resid 11 and resn ala and name hb#) 
    or (resid 28 and resn LEU and name hd*) (resid 28 and resn LEU and name hb*) 
 
! 
! peak name 3dC1201
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29100.000000
! from proton shift 0.885000
! to proton shift 4.120000
! from heavyatom shift 24.229000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1201
! 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 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 28 and resn LEU and name hd*) (resid 6 and resn pro and name ha) 4.150000 2.350000 2.350000 
    or (resid 28 and resn LEU and name hd*) (resid 26 and resn arg and name ha) 
    or (resid 28 and resn LEU and name hd*) (resid 29 and resn ala and name ha) 
 
! 
! peak name 3dC1203
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 80200.000000
! from proton shift 0.892000
! to proton shift 1.390000
! from heavyatom shift 24.315000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1203
! 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 28 and resn LEU and name hd*) (resid 28 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1204
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 0.887000
! to proton shift 1.486000
! from heavyatom shift 24.321000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1204
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn LEU and name hd*) (resid 28 and resn leu and name hg) 3.050000 1.250000 1.250000 
    or (resid 28 and resn LEU and name hd*) (resid 29 and resn ala and name hb#) 
 
! 
! peak name 3dC1209
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43100.000000
! from proton shift 1.252000
! to proton shift 2.023000
! from heavyatom shift 24.090000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1209
! 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 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn LEU and name hd*) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC121
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 50600.000000
! from proton shift 0.868000
! to proton shift 2.470000
! from heavyatom shift 23.462000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 121
! 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 2, 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 47 and resn MET and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1211
! bounds 3.300000 1.800000
! likelihood 0.960000
! intensity 177000.000000
! from proton shift 1.245000
! to proton shift 1.411000
! from heavyatom shift 23.951000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1211
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn LEU and name hd*) (resid 73 and resn LEU and name hd*) 3.050000 1.250000 1.250000 
 
! 
! peak name 3dC1212
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 343000.000000
! from proton shift 1.247000
! to proton shift 1.038000
! from heavyatom shift 23.958000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1212
! 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 9 and resn LEU and name hd*) (resid 9 and resn leu and name hg) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1215
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69500.000000
! from proton shift 1.283000
! to proton shift 0.742000
! from heavyatom shift 25.912000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1215
! 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 25 and resn LYS and name hg*) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 25 and resn LYS and name hg*) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dC1216
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39600.000000
! from proton shift 0.827000
! to proton shift 4.090000
! from heavyatom shift 25.738000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1216
! 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 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
! 
assign (resid 46 and resn LEU and name hd*) (resid 50 and resn leu and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1217
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29200.000000
! from proton shift 0.816000
! to proton shift 3.459000
! from heavyatom shift 25.818000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1217
! 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 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 46 and resn LEU and name hd*) (resid 27 and resn ile and name ha) 4.150000 2.350000 2.350000 
    or (resid 46 and resn LEU and name hd*) (resid 48 and resn HIS and name hb*) 
 
! 
! peak name 3dC1218
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 23200.000000
! from proton shift 0.820000
! to proton shift 2.711000
! from heavyatom shift 25.754000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1218
! 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 46 and resn LEU and name hd*) (resid 30 and resn LYS and name he*) 4.150000 2.350000 2.350000 
    or (resid 46 and resn LEU and name hd*) (resid 42 and resn GLU and name hg*) 
 
! 
! peak name 3dC1219
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 51700.000000
! from proton shift 3.139000
! to proton shift 0.815000
! from heavyatom shift 34.089000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1219
! 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
! 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 MET and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 47 and resn MET and name hb*) (resid 77 and resn LEU and name hd*) 
 
! 
! peak name 3dC1223
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 136000.000000
! from proton shift 3.118000
! to proton shift 4.059000
! from heavyatom shift 38.543000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1223
! note degeneracy 28, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1226
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37100.000000
! from proton shift 2.131000
! to proton shift 4.085000
! from heavyatom shift 37.184000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1226
! note degeneracy 87, 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 78 and resn GLU and name hg*) (resid 75 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1227
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 123000.000000
! from proton shift 2.230000
! to proton shift 3.827000
! from heavyatom shift 36.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1227
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn GLU and name hg*) (resid 7 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1229
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 355000.000000
! from proton shift 1.985000
! to proton shift 2.173000
! from heavyatom shift 36.012000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1229
! 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 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 GLU and name hg*) (resid 72 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
    or (resid 72 and resn GLU and name hg*) (resid 72 and resn GLU and name hb*) 
 
! 
! peak name 3dC1230
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61600.000000
! from proton shift 2.097000
! to proton shift 4.144000
! from heavyatom shift 42.411000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1230
! 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 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 LEU and name hb*) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 53 and resn LEU and name hb*) (resid 52 and resn glu and name ha) 
    or (resid 53 and resn LEU and name hb*) (resid 53 and resn leu and name ha) 
 
! 
! peak name 3dC1231
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 2.095000
! to proton shift 4.092000
! from heavyatom shift 42.419000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1231
! note degeneracy 60, 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 53 and resn LEU and name hb*) (resid 50 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1232
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 1.522000
! to proton shift 1.056000
! from heavyatom shift 41.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1232
! 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 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 LEU and name hb*) (resid 67 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1236
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70800.000000
! from proton shift 1.464000
! to proton shift 1.236000
! from heavyatom shift 41.092000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1236
! note degeneracy 70, 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 9 and resn LEU and name hb*) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1237
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61000.000000
! from proton shift 2.161000
! to proton shift 3.701000
! from heavyatom shift 41.690000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1237
! 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 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 73 and resn LEU and name hb*) (resid 74 and resn arg and name ha) 3.400000 1.600000 1.600000 
    or (resid 77 and resn LEU and name hb*) (resid 74 and resn arg and name ha) 
 
! 
! peak name 3dC1238
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 248000.000000
! from proton shift 2.146000
! to proton shift 1.516000
! from heavyatom shift 41.498000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1238
! note degeneracy 72, 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 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 77 and resn LEU and name hb*) (resid 77 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1239
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 1.736000
! to proton shift 3.957000
! from heavyatom shift 41.437000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1239
! 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 40 and resn LEU and name hb*) (resid 40 and resn leu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC124
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39700.000000
! from proton shift 1.218000
! to proton shift 4.147000
! from heavyatom shift 44.064000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 124
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn LEU and name hb*) (resid 45 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
    or (resid 46 and resn LEU and name hb*) (resid 46 and resn leu and name ha) 
 
! 
! peak name 3dC1240
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 301000.000000
! from proton shift 2.464000
! to proton shift 1.967000
! from heavyatom shift 36.942000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1240
! note degeneracy 128, 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 65 and resn GLU and name hg*) (resid 65 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1243
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67100.000000
! from proton shift 1.428000
! to proton shift 1.983000
! from heavyatom shift 25.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1243
! note degeneracy 104, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn LYS and name hg*) (resid 30 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 30 and resn LYS and name hg*) (resid 33 and resn ARG and name hg*) 
    or (resid 30 and resn LYS and name hg*) (resid 50 and resn LEU and name hb*) 
 
! 
! peak name 3dC1244
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35800.000000
! from proton shift 1.420000
! to proton shift 0.818000
! from heavyatom shift 25.193000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1244
! 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 0, with previousLikelihood range 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 LYS and name hg*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1247
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 49200.000000
! from proton shift 1.376000
! to proton shift 4.158000
! from heavyatom shift 26.165000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1247
! note degeneracy 58, 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 10 and resn LYS and name hg*) (resid 17 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1249
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 72800.000000
! from proton shift 1.964000
! to proton shift 4.109000
! from heavyatom shift 27.992000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1249
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 33 and resn ARG and name hg*) (resid 33 and resn arg and name ha) 2.550000 0.750000 0.750000 
    or (resid 26 and resn ARG and name hg*) (resid 26 and resn arg and name ha) 
 
! 
! peak name 3dC125
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13400.000000
! from proton shift 1.226000
! to proton shift 3.826000
! from heavyatom shift 43.975000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 125
! 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 46 and resn LEU and name hb*) (resid 37 and resn SER and name hb*) 3.900000 2.100000 2.100000 
    or (resid 46 and resn LEU and name hb*) (resid 43 and resn arg and name ha) 
 
! 
! peak name 3dC1251
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70800.000000
! from proton shift 1.876000
! to proton shift 3.854000
! from heavyatom shift 27.843000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1251
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 hb*) (resid 76 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1255
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79200.000000
! from proton shift 2.488000
! to proton shift 3.857000
! from heavyatom shift 27.854000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1255
! 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 76 and resn GLN and name hb*) (resid 76 and resn gln and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1256
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 78200.000000
! from proton shift 2.478000
! to proton shift 2.117000
! from heavyatom shift 27.927000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1256
! note degeneracy 25, 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 76 and resn GLN and name hb*) (resid 76 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1257
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 441000.000000
! from proton shift 2.043000
! to proton shift 2.322000
! from heavyatom shift 31.733000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1257
! 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 6 and resn PRO and name hb*) (resid 6 and resn PRO and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1258
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79000.000000
! from proton shift 2.043000
! to proton shift 1.750000
! from heavyatom shift 31.725000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1258
! 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 6 and resn PRO and name hb*) (resid 6 and resn PRO and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1259
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 60200.000000
! from proton shift 2.126000
! to proton shift 3.819000
! from heavyatom shift 42.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1259
! 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 31 and resn LEU and name hb*) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1260
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52500.000000
! from proton shift 2.087000
! to proton shift 4.202000
! from heavyatom shift 38.330000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1260
! note degeneracy 38, 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 34 and resn ile and name hb) (resid 31 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1261
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73100.000000
! from proton shift 1.966000
! to proton shift 4.233000
! from heavyatom shift 29.870000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1261
! note degeneracy 144, 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 65 and resn GLU and name hb*) (resid 65 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1262
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66000.000000
! from proton shift 1.983000
! to proton shift 3.925000
! from heavyatom shift 29.946000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1262
! note degeneracy 90, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 35, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 35, 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 71 and resn ARG and name hb*) (resid 71 and resn arg and name ha) 3.400000 1.600000 1.600000 
    or (resid 74 and resn ARG and name hb*) (resid 71 and resn arg and name ha) 
    or (resid 78 and resn GLU and name hb*) (resid 77 and resn leu and name ha) 
    or (resid 65 and resn GLU and name hb*) (resid 66 and resn arg and name ha) 
 
! 
! peak name 3dC1263
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 259000.000000
! from proton shift 1.976000
! to proton shift 2.455000
! from heavyatom shift 29.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1263
! note degeneracy 84, 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 65 and resn GLU and name hb*) (resid 65 and resn GLU and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1264
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 556000.000000
! from proton shift 1.972000
! to proton shift 2.348000
! from heavyatom shift 29.794000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1264
! note degeneracy 144, 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 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 71 and resn ARG and name hb*) (resid 71 and resn ARG and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1266
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 92800.000000
! from proton shift 1.987000
! to proton shift 3.172000
! from heavyatom shift 29.894000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1266
! note degeneracy 60, 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 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 74 and resn ARG and name hb*) (resid 74 and resn ARG and name hd*) 2.550000 0.750000 0.750000 
    or (resid 71 and resn ARG and name hb*) (resid 71 and resn ARG and name hd*) 
 
! 
! peak name 3dC1267
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 61300.000000
! from proton shift 1.970000
! to proton shift 2.653000
! from heavyatom shift 29.871000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1267
! note degeneracy 64, 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 0, with previousLikelihood range 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 GLU and name hb*) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1268
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 1.904000
! to proton shift 4.168000
! from heavyatom shift 30.504000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1268
! note degeneracy 208, 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 30 and resn LYS and name hb*) (resid 30 and resn lys and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1269
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 55900.000000
! from proton shift 2.088000
! to proton shift 3.268000
! from heavyatom shift 30.794000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1269
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn ARG and name hb*) (resid 33 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1272
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70100.000000
! from proton shift 3.034000
! to proton shift 4.260000
! from heavyatom shift 31.216000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1272
! 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 35 and resn HIS and name hb*) (resid 35 and resn his and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1273
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 95900.000000
! from proton shift 3.262000
! to proton shift 4.263000
! from heavyatom shift 31.110000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1273
! 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 35 and resn HIS and name hb*) (resid 35 and resn his and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1277
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 28900.000000
! from proton shift 3.745000
! to proton shift 1.907000
! from heavyatom shift 51.242000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1277
! note degeneracy 34, 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 19 and resn PRO and name hd*) (resid 18 and resn LYS and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1278
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 222000.000000
! from proton shift 4.025000
! to proton shift 2.268000
! from heavyatom shift 59.723000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1278
! note degeneracy 144, 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 32 and resn gln and name ha) (resid 32 and resn GLN and name hb*) 2.250000 0.450000 0.450000 
    or (resid 44 and resn gln and name ha) (resid 44 and resn GLN and name hb*) 
 
! 
! peak name 3dC128
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82200.000000
! from proton shift 1.204000
! to proton shift 0.931000
! from heavyatom shift 44.103000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 128
! 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 46 and resn LEU and name hb*) (resid 46 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1280
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 117000.000000
! from proton shift 4.128000
! to proton shift 2.657000
! from heavyatom shift 59.322000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1280
! 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 0, with previousLikelihood range 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 glu and name ha) (resid 55 and resn ASP and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1281
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 236000.000000
! from proton shift 4.250000
! to proton shift 2.236000
! from heavyatom shift 58.659000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1281
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 65 and resn glu and name ha) (resid 65 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1282
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 106000.000000
! from proton shift 4.381000
! to proton shift 2.269000
! from heavyatom shift 57.410000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1282
! note degeneracy 72, 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 41 and resn asp and name ha) (resid 44 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1283
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 30600.000000
! from proton shift 4.915000
! to proton shift 3.875000
! from heavyatom shift 55.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1283
! 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 4 and resn trp and name ha) (resid 6 and resn PRO and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1284
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 86900.000000
! from proton shift 3.780000
! to proton shift 2.012000
! from heavyatom shift 58.394000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1284
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn leu and name ha) (resid 9 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1286
! bounds 2.700000 1.800000
! likelihood 0.910000
! intensity 289000.000000
! from proton shift 4.956000
! to proton shift 4.000000
! from heavyatom shift 52.920000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1286
! note degeneracy 44, 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 18 and resn lys and name ha) (resid 19 and resn PRO and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1287
! bounds 2.700000 1.800000
! likelihood 0.910000
! intensity 246000.000000
! from proton shift 4.955000
! to proton shift 3.733000
! from heavyatom shift 52.908000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1287
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn lys and name ha) (resid 19 and resn PRO and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1288
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45600.000000
! from proton shift 4.959000
! to proton shift 1.425000
! from heavyatom shift 53.026000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1288
! note degeneracy 42, 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 18 and resn lys and name ha) (resid 18 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1289
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45600.000000
! from proton shift 4.959000
! to proton shift 1.425000
! from heavyatom shift 53.026000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1289
! note degeneracy 42, 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 18 and resn lys and name ha) (resid 18 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1291
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 361000.000000
! from proton shift 4.094000
! to proton shift 1.865000
! from heavyatom shift 59.053000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1291
! note degeneracy 252, 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 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 79 and resn lys and name ha) (resid 79 and resn LYS and name hb*) 2.250000 0.450000 0.450000 

! 
! peak name 3dC1294
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62800.000000
! from proton shift 4.095000
! to proton shift 1.452000
! from heavyatom shift 58.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1294
! note degeneracy 184, 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 10 and resn lys and name ha) (resid 9 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 79 and resn lys and name ha) (resid 79 and resn LYS and name hg*) 
 
! 
! peak name 3dC1298
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 315000.000000
! from proton shift 1.749000
! to proton shift 2.322000
! from heavyatom shift 28.109000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1298
! note degeneracy 85, 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 6 and resn PRO and name hg*) (resid 6 and resn PRO and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1299
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 1.990000
! to proton shift 3.827000
! from heavyatom shift 28.909000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1299
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn GLU and name hb*) (resid 7 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC13
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 48300.000000
! from proton shift 0.208000
! to proton shift 2.131000
! from heavyatom shift 13.395000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 13
! note degeneracy 27, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hd*) (resid 27 and resn ile and name hb) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1301
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 33400.000000
! from proton shift 1.386000
! to proton shift 2.758000
! from heavyatom shift 26.236000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1301
! 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 10 and resn LYS and name hg*) (resid 10 and resn LYS and name he*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1302
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25900.000000
! from proton shift 1.372000
! to proton shift 0.341000
! from heavyatom shift 26.125000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1302
! 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 10 and resn LYS and name hg*) (resid 28 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1303
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 407000.000000
! from proton shift 4.045000
! to proton shift 4.196000
! from heavyatom shift 63.471000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1303
! 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 14 and resn SER and name hb*) (resid 14 and resn ser and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1304
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45200.000000
! from proton shift 1.723000
! to proton shift 0.899000
! from heavyatom shift 29.207000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1304
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ARG and name hb*) (resid 34 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1306
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 23500.000000
! from proton shift 2.332000
! to proton shift 4.006000
! from heavyatom shift 32.368000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1306
! note degeneracy 88, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn PRO and name hb*) (resid 19 and resn PRO and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1307
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17700.000000
! from proton shift 2.321000
! to proton shift 3.731000
! from heavyatom shift 32.423000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1307
! 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 19 and resn PRO and name hb*) (resid 19 and resn PRO and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1311
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 47500.000000
! from proton shift 2.138000
! to proton shift 1.051000
! from heavyatom shift 29.866000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1311
! note degeneracy 56, with previousLikelihood range 0.900000  .. 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 59 and resn GLU and name hb*) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1314
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14400.000000
! from proton shift 4.628000
! to proton shift 1.996000
! from heavyatom shift 57.445000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1314
! note degeneracy 48, 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 63 and resn ser and name ha) (resid 62 and resn PRO and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1316
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 80400.000000
! from proton shift 0.873000
! to proton shift 1.426000
! from heavyatom shift 23.210000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1316
! note degeneracy 126, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn VAL and name hg*) (resid 11 and resn ala and name hb#) 3.050000 1.250000 1.250000 
    or (resid 81 and resn LEU and name hd*) (resid 80 and resn ala and name hb#) 
    or (resid 81 and resn LEU and name hd*) (resid 81 and resn LEU and name hb*) 
    or (resid 81 and resn LEU and name hd*) (resid 81 and resn leu and name hg) 
 
! 
! peak name 3dC1317
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 147000.000000
! from proton shift 0.886000
! to proton shift 4.223000
! from heavyatom shift 23.371000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1317
! note degeneracy 114, 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 hd*) (resid 81 and resn leu and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1321
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 424000.000000
! from proton shift 2.914000
! to proton shift 1.651000
! from heavyatom shift 41.892000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1321
! note degeneracy 84, 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 25 and resn LYS and name he*) (resid 25 and resn LYS and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1325
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44000.000000
! from proton shift 1.671000
! to proton shift 2.464000
! from heavyatom shift 28.730000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1325
! note degeneracy 44, 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 66 and resn ARG and name hg*) (resid 66 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1332
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 89000.000000
! from proton shift 2.114000
! to proton shift 3.864000
! from heavyatom shift 32.227000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1332
! 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 76 and resn GLN and name hg*) (resid 76 and resn gln and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1335
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 33600.000000
! from proton shift 2.226000
! to proton shift 1.460000
! from heavyatom shift 30.197000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1335
! note degeneracy 115, 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn ARG and name hb*) (resid 74 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1336
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 184000.000000
! from proton shift 2.200000
! to proton shift 4.019000
! from heavyatom shift 28.549000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1336
! note degeneracy 25, 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 72 and resn GLU and name hb*) (resid 72 and resn glu and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1338
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 700000.000000
! from proton shift 2.179000
! to proton shift 1.981000
! from heavyatom shift 28.645000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1338
! note degeneracy 81, 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 72 and resn GLU and name hb*) (resid 72 and resn GLU and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1339
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 3.934000
! to proton shift 2.216000
! from heavyatom shift 60.290000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1339
! 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 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 71 and resn arg and name ha) (resid 71 and resn ARG and name hb*) 2.550000 0.750000 0.750000 
    or (resid 71 and resn arg and name ha) (resid 74 and resn ARG and name hb*) 
 
! 
! peak name 3dC1342
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56400.000000
! from proton shift 1.906000
! to proton shift 3.276000
! from heavyatom shift 30.617000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1342
! 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 26 and resn ARG and name hb*) (resid 26 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1344
! bounds 3.300000 1.800000
! likelihood 0.950000
! intensity 112000.000000
! from proton shift 4.469000
! to proton shift 2.139000
! from heavyatom shift 58.241000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1344
! note degeneracy 54, 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 70 and resn phe and name ha) (resid 73 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1345
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 30800.000000
! from proton shift 4.486000
! to proton shift 1.055000
! from heavyatom shift 58.363000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1345
! 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 70 and resn phe and name ha) (resid 67 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1347
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 194000.000000
! from proton shift 1.171000
! to proton shift 1.860000
! from heavyatom shift 25.502000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1347
! note degeneracy 29, 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 67 and resn leu and name hg) (resid 67 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1348
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77000.000000
! from proton shift 1.168000
! to proton shift 1.517000
! from heavyatom shift 25.477000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1348
! note degeneracy 23, 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 67 and resn leu and name hg) (resid 67 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1349
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34700.000000
! from proton shift 0.892000
! to proton shift 3.936000
! from heavyatom shift 30.184000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1349
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1350
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25200.000000
! from proton shift 0.984000
! to proton shift 3.937000
! from heavyatom shift 30.248000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1350
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1351
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31400.000000
! from proton shift 0.979000
! to proton shift 1.199000
! from heavyatom shift 30.103000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1351
! 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 66 and resn ARG and name hb*) (resid 66 and resn ARG and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1354
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 303000.000000
! from proton shift 4.249000
! to proton shift 2.456000
! from heavyatom shift 58.680000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1354
! 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 65 and resn glu and name ha) (resid 65 and resn GLU and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1355
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 4.249000
! to proton shift 1.967000
! from heavyatom shift 58.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1355
! note degeneracy 32, 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 65 and resn glu and name ha) (resid 65 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1357
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 60300.000000
! from proton shift 1.976000
! to proton shift 0.898000
! from heavyatom shift 29.910000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1357
! note degeneracy 147, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 45, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 45, with previousLikelihood range 0.900000  .. 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 65 and resn GLU and name hb*) (resid 66 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1361
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 110000.000000
! from proton shift 4.320000
! to proton shift 2.959000
! from heavyatom shift 57.985000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1361
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 asp and name ha) (resid 55 and resn ASP and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1362
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 64400.000000
! from proton shift 4.320000
! to proton shift 2.131000
! from heavyatom shift 57.835000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1362
! 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 0, with previousLikelihood range 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 asp and name ha) (resid 59 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1363
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55200.000000
! from proton shift 4.313000
! to proton shift 1.881000
! from heavyatom shift 57.954000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1363
! note degeneracy 60, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asp and name ha) (resid 54 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1364
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 139000.000000
! from proton shift 0.904000
! to proton shift 1.561000
! from heavyatom shift 24.714000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1364
! note degeneracy 38, 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 40 and resn LEU and name hd*) (resid 40 and resn leu and name hg) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1365
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61100.000000
! from proton shift 2.110000
! to proton shift 4.135000
! from heavyatom shift 36.710000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1365
! note degeneracy 174, 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 52 and resn GLU and name hg*) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 52 and resn GLU and name hg*) (resid 52 and resn glu and name ha) 
 
! 
! peak name 3dC1367
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 651000.000000
! from proton shift 2.108000
! to proton shift 2.192000
! from heavyatom shift 36.221000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1367
! note degeneracy 105, 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn GLU and name hg*) (resid 72 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
    or (resid 72 and resn GLU and name hg*) (resid 72 and resn GLU and name hb*) 
 
! 
! peak name 3dC1369
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 110000.000000
! from proton shift 4.156000
! to proton shift 1.198000
! from heavyatom shift 57.740000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1369
! note degeneracy 104, 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 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 46 and resn leu and name ha) (resid 46 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1370
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 162000.000000
! from proton shift 2.081000
! to proton shift 4.126000
! from heavyatom shift 30.441000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1370
! note degeneracy 168, 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 26 and resn ARG and name hb*) (resid 26 and resn arg and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1371
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 102000.000000
! from proton shift 2.358000
! to proton shift 2.661000
! from heavyatom shift 29.905000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1371
! note degeneracy 27, 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 59 and resn GLU and name hb*) (resid 59 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1376
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 121000.000000
! from proton shift 1.513000
! to proton shift 1.268000
! from heavyatom shift 18.295000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1376
! 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 29 and resn ala and name hb#) (resid 25 and resn LYS and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1377
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 306000.000000
! from proton shift 4.192000
! to proton shift 2.127000
! from heavyatom shift 57.648000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1377
! note degeneracy 130, 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 31 and resn leu and name ha) (resid 31 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1378
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 357000.000000
! from proton shift 4.160000
! to proton shift 1.876000
! from heavyatom shift 57.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1378
! note degeneracy 240, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn lys and name ha) (resid 30 and resn LYS and name hb*) 2.250000 0.450000 0.450000 
    or (resid 53 and resn leu and name ha) (resid 56 and resn LEU and name hb*) 
    or (resid 56 and resn leu and name ha) (resid 56 and resn LEU and name hb*) 
 
! 
! peak name 3dC1380
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 4.203000
! to proton shift 1.563000
! from heavyatom shift 57.514000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1380
! note degeneracy 76, 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 31 and resn leu and name ha) (resid 31 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1382
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42500.000000
! from proton shift 0.969000
! to proton shift 2.129000
! from heavyatom shift 26.888000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1382
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 leu and name hg) (resid 31 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1383
! bounds 6.000000 1.800000
! likelihood 0.930000
! intensity 17900.000000
! from proton shift 0.958000
! to proton shift 1.739000
! from heavyatom shift 26.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1383
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn leu and name hg) (resid 6 and resn PRO and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1384
! bounds 6.000000 1.800000
! likelihood 0.950000
! intensity 27900.000000
! from proton shift 0.950000
! to proton shift 1.438000
! from heavyatom shift 26.789000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1384
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn leu and name hg) (resid 73 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1387
! bounds 6.000000 1.800000
! likelihood 0.910000
! intensity 16100.000000
! from proton shift 0.811000
! to proton shift 0.503000
! from heavyatom shift 26.894000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1387
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn leu and name hg) (resid 54 and resn ile and name hg12) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1388
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34900.000000
! from proton shift 0.811000
! to proton shift 1.071000
! from heavyatom shift 27.084000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1388
! 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 77 and resn leu and name hg) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1390
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 314000.000000
! from proton shift 1.572000
! to proton shift 0.899000
! from heavyatom shift 26.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1390
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 40 and resn leu and name hg) (resid 40 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1391
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 292000.000000
! from proton shift 1.831000
! to proton shift 2.011000
! from heavyatom shift 32.468000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1391
! 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 19 and resn PRO and name hb*) (resid 19 and resn PRO and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1392
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 39400.000000
! from proton shift 0.995000
! to proton shift 1.786000
! from heavyatom shift 21.809000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1392
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 3 and resn VAL and name hg*) (resid 47 and resn MET and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1393
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44400.000000
! from proton shift 4.104000
! to proton shift 2.119000
! from heavyatom shift 66.282000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1393
! note degeneracy 50, 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 6 and resn pro and name ha) (resid 31 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 75 and resn thr and name ha) (resid 78 and resn GLU and name hg*) 
 
! 
! peak name 3dC1395
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 396000.000000
! from proton shift 4.197000
! to proton shift 0.897000
! from heavyatom shift 61.695000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1395
! 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 15 and resn val and name ha) (resid 15 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1397
! bounds 6.000000 1.800000
! likelihood 0.910000
! intensity 25800.000000
! from proton shift 0.905000
! to proton shift 2.117000
! from heavyatom shift 28.935000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1397
! note degeneracy 25, 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 50 and resn leu and name hg) (resid 47 and resn MET and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1398
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 27400.000000
! from proton shift 0.916000
! to proton shift 1.634000
! from heavyatom shift 28.942000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1398
! note degeneracy 23, 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 0, 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 30 and resn LYS and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC14
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69200.000000
! from proton shift 0.207000
! to proton shift 1.792000
! from heavyatom shift 13.415000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 14
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hd*) (resid 27 and resn ile and name hg12) 3.650000 1.850000 1.850000 
    or (resid 27 and resn ile and name hd*) (resid 28 and resn LEU and name hb*) 
 
! 
! peak name 3dC140
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 53600.000000
! from proton shift 1.394000
! to proton shift 0.619000
! from heavyatom shift 29.947000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 140
! 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
! 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 ARG and name hb*) (resid 12 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1402
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77500.000000
! from proton shift 1.446000
! to proton shift 0.897000
! from heavyatom shift 40.963000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1402
! note degeneracy 63, 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 50 and resn LEU and name hb*) (resid 50 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1403
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54900.000000
! from proton shift 1.448000
! to proton shift 0.784000
! from heavyatom shift 41.032000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1403
! 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 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 hb*) (resid 77 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1406
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83800.000000
! from proton shift 1.400000
! to proton shift 0.879000
! from heavyatom shift 41.926000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1406
! 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 28 and resn LEU and name hb*) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1407
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 1.890000
! to proton shift 1.474000
! from heavyatom shift 33.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1407
! note degeneracy 72, 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 61 and resn GLN and name hg*) (resid 61 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1408
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 72500.000000
! from proton shift 2.023000
! to proton shift 1.469000
! from heavyatom shift 33.374000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1408
! 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 61 and resn GLN and name hg*) (resid 61 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1410
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46600.000000
! from proton shift 1.891000
! to proton shift 0.945000
! from heavyatom shift 30.367000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1410
! note degeneracy 114, 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 LYS and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 30 and resn LYS and name hb*) (resid 53 and resn LEU and name hd*) 
 
! 
! peak name 3dC1414
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19100.000000
! from proton shift 0.985000
! to proton shift 2.479000
! from heavyatom shift 30.188000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1414
! 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 66 and resn ARG and name hb*) (resid 66 and resn ARG and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1415
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19400.000000
! from proton shift 0.882000
! to proton shift 2.478000
! from heavyatom shift 30.112000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1415
! 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 66 and resn ARG and name hb*) (resid 66 and resn ARG and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1416
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 94600.000000
! from proton shift 3.414000
! to proton shift 2.321000
! from heavyatom shift 50.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1416
! 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 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hb*) 2.550000 0.750000 0.750000 
    or (resid 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hg*) 
 
! 
! peak name 3dC1417
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 48200.000000
! from proton shift 3.399000
! to proton shift 2.392000
! from heavyatom shift 50.207000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1417
! 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 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 3dC1418
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 174000.000000
! from proton shift 3.396000
! to proton shift 2.008000
! from heavyatom shift 50.240000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1418
! 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 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
! 
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 3dC1419
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65100.000000
! from proton shift 3.391000
! to proton shift 1.902000
! from heavyatom shift 50.234000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1419
! note degeneracy 66, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn PRO and name hd*) (resid 61 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 62 and resn PRO and name hd*) (resid 61 and resn GLN and name hg*) 
    or (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hb*) 
 
! 
! peak name 3dC142
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35400.000000
! from proton shift 1.551000
! to proton shift 3.668000
! from heavyatom shift 26.019000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 142
! 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 25 and resn LYS and name hg*) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1420
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69900.000000
! from proton shift 3.412000
! to proton shift 1.739000
! from heavyatom shift 50.220000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1420
! note degeneracy 34, 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 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1421
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 46700.000000
! from proton shift 3.412000
! to proton shift 1.640000
! from heavyatom shift 50.272000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1421
! note degeneracy 46, 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 6 and resn PRO and name hd*) (resid 31 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1422
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 3.533000
! to proton shift 1.909000
! from heavyatom shift 50.187000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1422
! note degeneracy 36, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, 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 
    or (resid 62 and resn PRO and name hd*) (resid 61 and resn GLN and name hb*) 
 
! 
! peak name 3dC1423
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 153000.000000
! from proton shift 3.527000
! to proton shift 2.005000
! from heavyatom shift 50.211000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1423
! note degeneracy 24, 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 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 3dC1424
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35700.000000
! from proton shift 3.525000
! to proton shift 2.385000
! from heavyatom shift 50.245000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1424
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 3dC1425
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 33500.000000
! from proton shift 3.889000
! to proton shift 1.650000
! from heavyatom shift 50.231000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1425
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn PRO and name hd*) (resid 31 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC143
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 129000.000000
! from proton shift 1.800000
! to proton shift 0.200000
! from heavyatom shift 31.513000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hg12) (resid 27 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1431
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 32200.000000
! from proton shift 4.012000
! to proton shift 1.896000
! from heavyatom shift 51.211000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1431
! note degeneracy 32, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 PRO and name hd*) (resid 18 and resn LYS and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1432
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35300.000000
! from proton shift 4.010000
! to proton shift 1.826000
! from heavyatom shift 51.182000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1432
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn PRO and name hd*) (resid 19 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1433
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24300.000000
! from proton shift 4.011000
! to proton shift 1.591000
! from heavyatom shift 51.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1433
! 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 19 and resn PRO and name hd*) (resid 18 and resn LYS and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1434
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18900.000000
! from proton shift 3.748000
! to proton shift 1.436000
! from heavyatom shift 51.235000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1434
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn PRO and name hd*) (resid 18 and resn LYS and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1435
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29700.000000
! from proton shift 3.738000
! to proton shift 2.314000
! from heavyatom shift 51.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1435
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 PRO and name hd*) (resid 19 and resn PRO and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1439
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74400.000000
! from proton shift 4.666000
! to proton shift 3.519000
! from heavyatom shift 57.340000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1439
! 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 24 and resn tyr and name ha) (resid 24 and resn TYR and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC144
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 188000.000000
! from proton shift 1.799000
! to proton shift 0.654000
! from heavyatom shift 31.550000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 144
! 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 27 and resn ile and name hg12) (resid 27 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1440
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37500.000000
! from proton shift 4.652000
! to proton shift 3.399000
! from heavyatom shift 57.401000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1440
! 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 24 and resn tyr and name ha) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000 

! 
! peak name 3dC1444
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 19900.000000
! from proton shift 4.288000
! to proton shift 1.056000
! from heavyatom shift 63.903000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1444
! 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 64 and resn SER and name hb*) (resid 67 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1449
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 402000.000000
! from proton shift 3.833000
! to proton shift 0.880000
! from heavyatom shift 58.398000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1449
! note degeneracy 80, 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 28 and resn leu and name ha) (resid 28 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1450
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 3.850000
! to proton shift 1.161000
! from heavyatom shift 58.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1450
! 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 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 67 and resn leu and name ha) (resid 67 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 67 and resn leu and name ha) (resid 67 and resn leu and name hg) 
    or (resid 28 and resn leu and name ha) (resid 31 and resn LEU and name hd*) 
 
! 
! peak name 3dC1451
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 270000.000000
! from proton shift 3.868000
! to proton shift 1.876000
! from heavyatom shift 58.658000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1451
! note degeneracy 120, 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 76 and resn gln and name ha) (resid 76 and resn GLN and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1452
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 3.836000
! to proton shift 1.780000
! from heavyatom shift 58.411000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1452
! note degeneracy 76, 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 28 and resn leu and name ha) (resid 28 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1453
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 224000.000000
! from proton shift 3.818000
! to proton shift 1.405000
! from heavyatom shift 58.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1453
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 leu and name ha) (resid 28 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1455
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 132000.000000
! from proton shift 4.725000
! to proton shift 1.903000
! from heavyatom shift 53.715000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1455
! note degeneracy 34, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn gln and name ha) (resid 61 and resn GLN and name hb*) 2.550000 0.750000 0.750000 
    or (resid 61 and resn gln and name ha) (resid 61 and resn GLN and name hg*) 
 
! 
! peak name 3dC1456
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 96200.000000
! from proton shift 4.727000
! to proton shift 2.015000
! from heavyatom shift 53.721000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1456
! note degeneracy 27, 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 61 and resn gln and name ha) (resid 61 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1457
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 50000.000000
! from proton shift 4.727000
! to proton shift 1.469000
! from heavyatom shift 53.750000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1457
! 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 61 and resn gln and name ha) (resid 61 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1458
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 4.729000
! to proton shift 3.386000
! from heavyatom shift 53.736000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1458
! 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 61 and resn gln and name ha) (resid 62 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC146
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24300.000000
! from proton shift 1.805000
! to proton shift 1.082000
! from heavyatom shift 31.600000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 146
! 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 27 and resn ile and name hg12) (resid 73 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1460
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19800.000000
! from proton shift 4.358000
! to proton shift 1.630000
! from heavyatom shift 51.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1460
! note degeneracy 24, 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 13 and resn ala and name ha) (resid 12 and resn ARG and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1464
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 103000.000000
! from proton shift 2.877000
! to proton shift 0.623000
! from heavyatom shift 41.555000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1464
! 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 12 and resn ARG and name hd*) (resid 12 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1465
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 223000.000000
! from proton shift 4.096000
! to proton shift 1.443000
! from heavyatom shift 57.666000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1465
! note degeneracy 138, 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 50 and resn leu and name ha) (resid 50 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
    or (resid 50 and resn leu and name ha) (resid 53 and resn LEU and name hb*) 
 
! 
! peak name 3dC1466
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 87500.000000
! from proton shift 4.094000
! to proton shift 1.546000
! from heavyatom shift 57.587000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1466
! note degeneracy 72, 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 50 and resn leu and name ha) (resid 50 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1468
! bounds 2.700000 1.800000
! likelihood 0.900000
! intensity 220000.000000
! from proton shift 4.101000
! to proton shift 0.817000
! from heavyatom shift 57.627000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1468
! 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 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 50 and resn leu and name ha) (resid 46 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1470
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 4.501000
! to proton shift 3.736000
! from heavyatom shift 58.420000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1470
! 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 ser and name ha) (resid 37 and resn SER and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1472
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 23900.000000
! from proton shift 4.122000
! to proton shift 1.640000
! from heavyatom shift 66.180000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1472
! note degeneracy 46, 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 6 and resn pro and name ha) (resid 31 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1473
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 18300.000000
! from proton shift 4.117000
! to proton shift 1.567000
! from heavyatom shift 66.210000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1473
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn pro and name ha) (resid 31 and resn LEU and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1475
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27400.000000
! from proton shift 4.524000
! to proton shift 3.535000
! from heavyatom shift 64.684000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1475
! 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 62 and resn pro and name ha) (resid 62 and resn PRO and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1476
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54900.000000
! from proton shift 4.512000
! to proton shift 1.911000
! from heavyatom shift 64.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1476
! note degeneracy 36, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 62 and resn pro and name ha) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
    or (resid 62 and resn pro and name ha) (resid 61 and resn GLN and name hb*) 
 
! 
! peak name 3dC1477
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 142000.000000
! from proton shift 3.944000
! to proton shift 2.110000
! from heavyatom shift 60.885000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1477
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn met and name ha) (resid 47 and resn MET and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC148
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 40600.000000
! from proton shift 1.795000
! to proton shift 2.116000
! from heavyatom shift 31.570000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 148
! note degeneracy 50, 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 27 and resn ile and name hg12) (resid 27 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1481
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 226000.000000
! from proton shift 4.117000
! to proton shift 1.907000
! from heavyatom shift 59.572000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1481
! note degeneracy 170, 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 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
! 
assign (resid 26 and resn arg and name ha) (resid 26 and resn ARG and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1483
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 4.103000
! to proton shift 2.093000
! from heavyatom shift 59.643000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1483
! note degeneracy 144, 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 26 and resn arg and name ha) (resid 26 and resn ARG and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1485
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 198000.000000
! from proton shift 4.120000
! to proton shift 2.276000
! from heavyatom shift 59.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1485
! note degeneracy 114, 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 49 and resn glu and name ha) (resid 49 and resn GLU and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1486
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 322000.000000
! from proton shift 4.026000
! to proton shift 2.155000
! from heavyatom shift 59.690000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1486
! note degeneracy 200, 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 72 and resn glu and name ha) (resid 72 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1488
! bounds 2.700000 1.800000
! likelihood 0.980000
! intensity 342000.000000
! from proton shift 4.024000
! to proton shift 1.977000
! from heavyatom shift 59.652000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1488
! note degeneracy 232, 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn glu and name ha) (resid 72 and resn GLU and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1489
! bounds 2.700000 1.800000
! likelihood 0.980000
! intensity 371000.000000
! from proton shift 4.026000
! to proton shift 2.102000
! from heavyatom shift 59.703000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1489
! note degeneracy 200, 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn glu and name ha) (resid 72 and resn GLU and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC149
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66300.000000
! from proton shift 1.803000
! to proton shift 3.460000
! from heavyatom shift 31.536000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 149
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hg12) (resid 27 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1490
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 75300.000000
! from proton shift 3.971000
! to proton shift 1.563000
! from heavyatom shift 59.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1490
! note degeneracy 133, 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 40 and resn leu and name ha) (resid 40 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1495
! bounds 6.000000 1.800000
! likelihood 0.960000
! intensity 32400.000000
! from proton shift 1.919000
! to proton shift 2.465000
! from heavyatom shift 18.203000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1495
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn ile and name hg2#) (resid 47 and resn MET and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1496
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25300.000000
! from proton shift 1.915000
! to proton shift 2.260000
! from heavyatom shift 18.204000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1496
! 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 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 39 and resn ile and name hg2#) (resid 44 and resn GLN and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1498
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 39400.000000
! from proton shift 1.918000
! to proton shift 1.771000
! from heavyatom shift 18.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1498
! 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 39 and resn ile and name hg2#) (resid 47 and resn MET and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC15
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 123000.000000
! from proton shift 0.208000
! to proton shift 0.530000
! from heavyatom shift 13.413000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 15
! 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 27 and resn ile and name hd*) (resid 27 and resn ile and name hg11) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC150
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 1.732000
! to proton shift -0.071000
! from heavyatom shift 31.869000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 150
! 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 8 and resn val and name hb) (resid 8 and resn VAL and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1500
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 1.916000
! to proton shift 0.880000
! from heavyatom shift 18.047000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1500
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ile and name hg2#) (resid 39 and resn ile and name hd*) 3.050000 1.250000 1.250000 
 
! 
! peak name 3dC1509
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 408000.000000
! from proton shift 1.580000
! to proton shift 1.250000
! from heavyatom shift 28.063000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1509
! 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 16 and resn ile and name hg12) (resid 16 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC151
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 255000.000000
! from proton shift 1.729000
! to proton shift 0.844000
! from heavyatom shift 31.906000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 151
! 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 8 and resn val and name hb) (resid 8 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1512
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 80100.000000
! from proton shift 1.886000
! to proton shift 2.340000
! from heavyatom shift 28.849000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1512
! note degeneracy 64, 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 7 and resn GLU and name hb*) (resid 7 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1513
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 146000.000000
! from proton shift 1.887000
! to proton shift 2.226000
! from heavyatom shift 28.814000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1513
! 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 7 and resn GLU and name hb*) (resid 7 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1514
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 1.987000
! to proton shift 2.336000
! from heavyatom shift 28.967000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1514
! note degeneracy 64, 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 7 and resn GLU and name hb*) (resid 7 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1515
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 161000.000000
! from proton shift 2.484000
! to proton shift 1.774000
! from heavyatom shift 33.470000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1515
! note degeneracy 38, 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 47 and resn MET and name hb*) (resid 47 and resn MET and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1517
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 37100.000000
! from proton shift 1.887000
! to proton shift 3.187000
! from heavyatom shift 30.955000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1517
! note degeneracy 65, 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 43 and resn ARG and name hb*) (resid 33 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1519
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 224000.000000
! from proton shift 1.889000
! to proton shift 1.665000
! from heavyatom shift 30.736000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1519
! note degeneracy 114, 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 26 and resn ARG and name hb*) (resid 26 and resn ARG and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC152
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 19700.000000
! from proton shift 1.736000
! to proton shift 3.117000
! from heavyatom shift 31.853000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 152
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn val and name hb) (resid 4 and resn TRP and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1522
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 167000.000000
! from proton shift 2.878000
! to proton shift 1.302000
! from heavyatom shift 41.606000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1522
! note degeneracy 32, with previousLikelihood range 0.900000  .. 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 12 and resn ARG and name hd*) (resid 12 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1523
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 2.871000
! to proton shift 1.401000
! from heavyatom shift 41.590000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1523
! note degeneracy 63, 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 79 and resn LYS and name he*) (resid 79 and resn LYS and name hd*) 2.550000 0.750000 0.750000 
    or (resid 12 and resn ARG and name hd*) (resid 12 and resn ARG and name hb*) 
 
! 
! peak name 3dC1525
! bounds 2.700000 1.800000
! likelihood 0.980000
! intensity 283000.000000
! from proton shift 2.875000
! to proton shift 4.028000
! from heavyatom shift 41.552000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1525
! note degeneracy 78, 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn ARG and name hd*) (resid 12 and resn arg and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1530
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39700.000000
! from proton shift 2.768000
! to proton shift 1.359000
! from heavyatom shift 41.744000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1530
! 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 10 and resn LYS and name he*) (resid 10 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1532
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77100.000000
! from proton shift 1.924000
! to proton shift 1.422000
! from heavyatom shift 34.106000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1532
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn LYS and name hb*) (resid 18 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1534
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 349000.000000
! from proton shift 1.173000
! to proton shift 1.600000
! from heavyatom shift 26.997000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1534
! note degeneracy 44, 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 39 and resn ile and name hg11) (resid 39 and resn ile and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1535
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 314000.000000
! from proton shift 1.173000
! to proton shift 1.704000
! from heavyatom shift 27.442000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1535
! 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 20 and resn ile and name hg12) (resid 20 and resn ile and name hg11) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1536
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46600.000000
! from proton shift 1.173000
! to proton shift 1.882000
! from heavyatom shift 27.091000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1536
! note degeneracy 60, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn ile and name hg11) (resid 39 and resn ile and name hb) 3.650000 1.850000 1.850000 
    or (resid 39 and resn ile and name hg11) (resid 39 and resn ile and name hg2#) 
 
! 
! peak name 3dC1537
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 288000.000000
! from proton shift 1.161000
! to proton shift 0.892000
! from heavyatom shift 26.987000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1537
! 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 39 and resn ile and name hg11) (resid 39 and resn ile and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1538
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 198000.000000
! from proton shift 1.167000
! to proton shift 0.739000
! from heavyatom shift 27.448000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1538
! 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 20 and resn ile and name hg12) (resid 20 and resn ile and name hd*) 2.500000 0.700000 0.700000 
    or (resid 20 and resn ile and name hg12) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dC154
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70500.000000
! from proton shift 1.718000
! to proton shift 3.486000
! from heavyatom shift 31.964000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 154
! 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 8 and resn val and name hb) (resid 8 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1540
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77300.000000
! from proton shift 0.828000
! to proton shift 1.446000
! from heavyatom shift 25.805000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1540
! note degeneracy 23, 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 46 and resn LEU and name hd*) (resid 30 and resn LYS and name hg*) 2.800000 1.000000 1.000000 
    or (resid 46 and resn LEU and name hd*) (resid 50 and resn LEU and name hb*) 
 
! 
! peak name 3dC1541
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 71100.000000
! from proton shift 0.814000
! to proton shift 1.086000
! from heavyatom shift 25.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1541
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn LEU and name hd*) (resid 73 and resn LEU and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1545
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 40700.000000
! from proton shift 0.884000
! to proton shift 2.012000
! from heavyatom shift 24.273000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1545
! 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 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 28 and resn LEU and name hd*) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1546
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44400.000000
! from proton shift 0.879000
! to proton shift 1.627000
! from heavyatom shift 24.246000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1546
! note degeneracy 69, 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 LEU and name hd*) (resid 31 and resn LEU and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1549
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 111000.000000
! from proton shift 1.934000
! to proton shift 3.669000
! from heavyatom shift 32.252000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1549
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn MET and name hg*) (resid 51 and resn met and name ha) 2.550000 0.750000 0.750000 
    or (resid 51 and resn MET and name hg*) (resid 51 and resn met and name ha) 
 
! 
! peak name 3dC1551
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25100.000000
! from proton shift 2.384000
! to proton shift 3.521000
! from heavyatom shift 32.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1551
! note degeneracy 32, with previousLikelihood range 0.900000  .. 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 hb*) (resid 62 and resn PRO and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1558
! bounds 6.000000 1.800000
! likelihood 0.940000
! intensity 17400.000000
! from proton shift 4.447000
! to proton shift 3.389000
! from heavyatom shift 44.502000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1558
! 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 21 and resn GLY and name ha*) (resid 24 and resn TYR and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC156
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 2.339000
! to proton shift 0.954000
! from heavyatom shift 31.734000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 156
! note degeneracy 72, 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 6 and resn PRO and name hb*) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1561
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31500.000000
! from proton shift 2.489000
! to proton shift 1.903000
! from heavyatom shift 33.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1561
! note degeneracy 68, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000  .. 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 47 and resn MET and name hb*) (resid 39 and resn ile and name hg2#) 4.150000 2.350000 2.350000 
    or (resid 47 and resn MET and name hb*) (resid 43 and resn ARG and name hb*) 
    or (resid 47 and resn MET and name hb*) (resid 51 and resn MET and name hg*) 
    or (resid 47 and resn MET and name hb*) (resid 51 and resn MET and name hg*) 
 
! 
! peak name 3dC1564
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 48800.000000
! from proton shift 2.516000
! to proton shift 4.023000
! from heavyatom shift 33.413000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1564
! 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 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 47 and resn MET and name hb*) (resid 44 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 47 and resn MET and name hb*) (resid 45 and resn GLY and name ha*) 
 
! 
! peak name 3dC1565
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82300.000000
! from proton shift 1.505000
! to proton shift 3.841000
! from heavyatom shift 41.659000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1565
! 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 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 LEU and name hb*) (resid 67 and resn leu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1568
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13600.000000
! from proton shift 2.421000
! to proton shift 3.261000
! from heavyatom shift 33.455000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1568
! 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 32 and resn GLN and name hg*) (resid 35 and resn HIS and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC157
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 87700.000000
! from proton shift 2.329000
! to proton shift 1.738000
! from heavyatom shift 31.766000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 157
! note degeneracy 72, 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 PRO and name hb*) (resid 6 and resn PRO and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1570
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24900.000000
! from proton shift 1.794000
! to proton shift 3.125000
! from heavyatom shift 33.431000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1570
! 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 47 and resn MET and name hg*) (resid 47 and resn MET and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1571
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24200.000000
! from proton shift 1.781000
! to proton shift 0.407000
! from heavyatom shift 33.497000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1571
! 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 47 and resn MET and name hg*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1572
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34300.000000
! from proton shift 1.785000
! to proton shift 0.814000
! from heavyatom shift 33.487000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1572
! 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 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn MET and name hg*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 47 and resn MET and name hg*) (resid 77 and resn LEU and name hd*) 
    or (resid 47 and resn MET and name hg*) (resid 77 and resn leu and name hg) 
 
! 
! peak name 3dC1576
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25400.000000
! from proton shift 3.743000
! to proton shift 3.410000
! from heavyatom shift 63.382000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1576
! 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 0, with previousLikelihood range 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 SER and name hb*) (resid 34 and resn ile and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1578
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 288000.000000
! from proton shift 2.235000
! to proton shift 1.978000
! from heavyatom shift 36.910000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1578
! note degeneracy 87, 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 7 and resn GLU and name hg*) (resid 7 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC1579
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 179000.000000
! from proton shift 0.961000
! to proton shift 1.154000
! from heavyatom shift 26.803000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1579
! note degeneracy 10, 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 31 and resn leu and name hg) (resid 31 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1580
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 3.865000
! to proton shift 2.335000
! from heavyatom shift 58.812000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1580
! note degeneracy 64, 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 76 and resn gln and name ha) (resid 76 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1581
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 96500.000000
! from proton shift 3.863000
! to proton shift 2.475000
! from heavyatom shift 58.854000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1581
! 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 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 hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1582
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 364000.000000
! from proton shift 4.143000
! to proton shift 1.882000
! from heavyatom shift 57.865000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1582
! note degeneracy 240, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn lys and name ha) (resid 30 and resn LYS and name hb*) 2.250000 0.450000 0.450000 
    or (resid 53 and resn leu and name ha) (resid 56 and resn LEU and name hb*) 
    or (resid 56 and resn leu and name ha) (resid 56 and resn LEU and name hb*) 
 
! 
! peak name 3dC159
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 53400.000000
! from proton shift 1.589000
! to proton shift 0.339000
! from heavyatom shift 29.600000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 159
! 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 10 and resn LYS and name hd*) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1591
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41200.000000
! from proton shift 1.588000
! to proton shift 3.894000
! from heavyatom shift 28.016000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1591
! note degeneracy 57, 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 ile and name hg12) (resid 16 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1592
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 170000.000000
! from proton shift 1.981000
! to proton shift 0.925000
! from heavyatom shift 26.814000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1592
! note degeneracy 69, with previousLikelihood range 0.900000  .. 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 46 and resn leu and name hg) (resid 46 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC1595
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18400.000000
! from proton shift 1.545000
! to proton shift 1.909000
! from heavyatom shift 43.095000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1595
! note degeneracy 72, 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 83 and resn LEU and name hb*) (resid 84 and resn GLU and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1597
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 51300.000000
! from proton shift 1.922000
! to proton shift 0.979000
! from heavyatom shift 18.089000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1597
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn ile and name hg2#) (resid 3 and resn VAL and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC16
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55500.000000
! from proton shift 0.205000
! to proton shift 0.660000
! from heavyatom shift 13.376000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 16
! 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
! 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 ile and name hd*) (resid 27 and resn ile and name hg2#) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC160
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 91200.000000
! from proton shift 1.635000
! to proton shift 4.019000
! from heavyatom shift 29.690000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 160
! note degeneracy 125, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ARG and name hb*) (resid 12 and resn arg and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1600
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 239000.000000
! from proton shift 0.857000
! to proton shift 1.726000
! from heavyatom shift 23.114000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1600
! note degeneracy 108, 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 VAL and name hg*) (resid 8 and resn val and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1601
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 88300.000000
! from proton shift 4.086000
! to proton shift 2.413000
! from heavyatom shift 58.388000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1601
! note degeneracy 120, 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 42 and resn glu and name ha) (resid 42 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC161
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45100.000000
! from proton shift 1.918000
! to proton shift 4.186000
! from heavyatom shift 34.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 161
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn val and name hb) (resid 15 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1612
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49200.000000
! from proton shift 0.901000
! to proton shift 0.695000
! from heavyatom shift 28.933000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1612
! 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 0, 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 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC1613
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 78900.000000
! from proton shift 2.016000
! to proton shift 3.525000
! from heavyatom shift 27.382000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1613
! 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 62 and resn PRO and name hg*) (resid 62 and resn PRO and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1615
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 50500.000000
! from proton shift 3.408000
! to proton shift 0.982000
! from heavyatom shift 50.187000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1615
! 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 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 PRO and name hd*) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 6 and resn PRO and name hd*) (resid 5 and resn thr and name hg1) 
 
! 
! peak name 3dC1616
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37800.000000
! from proton shift 2.160000
! to proton shift 3.891000
! from heavyatom shift 41.690000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1616
! note degeneracy 57, 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 77 and resn LEU and name hb*) (resid 77 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC162
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 234000.000000
! from proton shift 1.915000
! to proton shift 0.844000
! from heavyatom shift 34.921000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 162
! 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 15 and resn val and name hb) (resid 15 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC1622
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33900.000000
! from proton shift 1.997000
! to proton shift 2.713000
! from heavyatom shift 30.222000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1622
! note degeneracy 55, 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 LYS and name hb*) (resid 30 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1625
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14900.000000
! from proton shift 4.295000
! to proton shift 1.977000
! from heavyatom shift 68.842000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1625
! 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 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 75 and resn thr and name hb) (resid 74 and resn ARG and name hb*) 3.900000 2.100000 2.100000 
    or (resid 75 and resn thr and name hb) (resid 78 and resn GLU and name hb*) 
    or (resid 75 and resn thr and name hb) (resid 72 and resn GLU and name hg*) 
 
! 
! peak name 3dC1627
! bounds 6.000000 1.800000
! likelihood 0.940000
! intensity 8980.000000
! from proton shift 0.210000
! to proton shift 4.077000
! from heavyatom shift 13.447000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1627
! 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 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 27 and resn ile and name hd*) (resid 57 and resn tyr and name ha) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1630
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 178000.000000
! from proton shift 4.019000
! to proton shift 4.944000
! from heavyatom shift 51.297000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1630
! 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 19 and resn PRO and name hd*) (resid 18 and resn lys and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1631
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45800.000000
! from proton shift 3.878000
! to proton shift 4.539000
! from heavyatom shift 50.309000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1631
! 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 6 and resn PRO and name hd*) (resid 5 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1636
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14800.000000
! from proton shift 1.296000
! to proton shift 4.114000
! from heavyatom shift 25.947000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1636
! note degeneracy 52, 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 25 and resn LYS and name hg*) (resid 26 and resn arg and name ha) 3.900000 2.100000 2.100000 
    or (resid 25 and resn LYS and name hg*) (resid 29 and resn ala and name ha) 
 
! 
! peak name 3dC1637
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 2.818000
! to proton shift 4.979000
! from heavyatom shift 39.599000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1637
! 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 38 and resn ASN and name hb*) (resid 38 and resn asn and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1638
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 2.928000
! to proton shift 4.983000
! from heavyatom shift 39.638000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1638
! 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
! 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 ASN and name hb*) (resid 38 and resn asn and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1639
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 91700.000000
! from proton shift 2.896000
! to proton shift 4.439000
! from heavyatom shift 37.357000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1639
! 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 68 and resn ASN and name hb*) (resid 68 and resn asn and name ha) 2.550000 0.750000 0.750000 

! 
! peak name 3dC1640
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 88800.000000
! from proton shift 2.975000
! to proton shift 4.441000
! from heavyatom shift 37.335000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1640
! 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 68 and resn ASN and name hb*) (resid 68 and resn asn and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1641
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19600.000000
! from proton shift 2.145000
! to proton shift 4.475000
! from heavyatom shift 41.584000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1641
! 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 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 70 and resn phe and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1642
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 30200.000000
! from proton shift 1.584000
! to proton shift 4.952000
! from heavyatom shift 25.107000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1642
! 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 18 and resn LYS and name hg*) (resid 18 and resn lys and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1643
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19500.000000
! from proton shift 1.438000
! to proton shift 4.941000
! from heavyatom shift 24.915000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1643
! 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 18 and resn LYS and name hg*) (resid 18 and resn lys and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1644
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37200.000000
! from proton shift 2.279000
! to proton shift 4.374000
! from heavyatom shift 28.165000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1644
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn GLN and name hb*) (resid 41 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1645
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31900.000000
! from proton shift 3.349000
! to proton shift 4.926000
! from heavyatom shift 30.500000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1645
! 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
! 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 TRP and name hb*) (resid 4 and resn trp and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1646
! bounds 6.000000 1.800000
! likelihood 0.900000
! intensity 13000.000000
! from proton shift 3.258000
! to proton shift 4.137000
! from heavyatom shift 31.164000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1646
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn HIS and name hb*) (resid 6 and resn pro and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1647
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14800.000000
! from proton shift 1.711000
! to proton shift 4.957000
! from heavyatom shift 29.253000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1647
! 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 18 and resn LYS and name hd*) (resid 18 and resn lys and name ha) 3.900000 2.100000 2.100000 

! 
! peak name 3dC1649
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27300.000000
! from proton shift 2.030000
! to proton shift 4.940000
! from heavyatom shift 27.191000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1649
! 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 19 and resn PRO and name hg*) (resid 18 and resn lys and name ha) 3.900000 2.100000 2.100000 

! 
! peak name 3dC1651
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45600.000000
! from proton shift 2.333000
! to proton shift 4.518000
! from heavyatom shift 32.542000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1651
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 PRO and name hb*) (resid 19 and resn pro and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1655
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43200.000000
! from proton shift 1.181000
! to proton shift 3.843000
! from heavyatom shift 25.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1655
! 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 leu and name hg) (resid 67 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1656
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15500.000000
! from proton shift 1.222000
! to proton shift 3.940000
! from heavyatom shift 28.656000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1656
! 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 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 hg*) (resid 66 and resn arg and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC1658
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 3.750000
! to proton shift 4.943000
! from heavyatom shift 51.286000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1658
! 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 19 and resn PRO and name hd*) (resid 18 and resn lys and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC1661
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63900.000000
! from proton shift 3.516000
! to proton shift 4.683000
! from heavyatom shift 37.853000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1661
! 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
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 24 and resn TYR and name hb*) (resid 24 and resn tyr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1663
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14500.000000
! from proton shift 0.908000
! to proton shift 3.678000
! from heavyatom shift 24.369000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1663
! 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 28 and resn LEU and name hd*) (resid 25 and resn lys and name ha) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC1664
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24000.000000
! from proton shift 0.820000
! to proton shift 4.147000
! from heavyatom shift 25.992000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1664
! 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn LEU and name hd*) (resid 30 and resn lys and name ha) 4.150000 2.350000 2.350000 
    or (resid 46 and resn LEU and name hd*) (resid 45 and resn GLY and name ha*) 
    or (resid 46 and resn LEU and name hd*) (resid 46 and resn leu and name ha) 
    or (resid 46 and resn LEU and name hd*) (resid 49 and resn glu and name ha) 
 
! 
! peak name 3dC1665
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 36100.000000
! from proton shift 1.888000
! to proton shift 4.283000
! from heavyatom shift 27.889000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1665
! 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 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 76 and resn GLN and name hb*) (resid 75 and resn thr and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC1666
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 51300.000000
! from proton shift 3.253000
! to proton shift 3.881000
! from heavyatom shift 31.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1666
! 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 35 and resn HIS and name hb*) (resid 6 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC168
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 55700.000000
! from proton shift 2.698000
! to proton shift 0.879000
! from heavyatom shift 34.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 168
! 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 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 44 and resn GLN and name hg*) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC17
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13300.000000
! from proton shift 0.212000
! to proton shift 1.078000
! from heavyatom shift 13.339000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 17
! 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 27 and resn ile and name hd*) (resid 73 and resn LEU and name hd*) 4.400000 2.600000 2.600000 
 
! 
! peak name 3dC173
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 62600.000000
! from proton shift 2.133000
! to proton shift 0.772000
! from heavyatom shift 34.015000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 173
! 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 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 MET and name hg*) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC174
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 154000.000000
! from proton shift 1.624000
! to proton shift 1.425000
! from heavyatom shift 34.019000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 174
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn LYS and name hb*) (resid 18 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC176
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24000.000000
! from proton shift 2.344000
! to proton shift 0.842000
! from heavyatom shift 36.995000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 176
! 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 0, with previousLikelihood range 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 GLU and name hg*) (resid 8 and resn VAL and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC179
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 593000.000000
! from proton shift 2.694000
! to proton shift 2.278000
! from heavyatom shift 34.621000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 179
! 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 44 and resn GLN and name hg*) (resid 44 and resn GLN and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC18
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 8660.000000
! from proton shift 0.198000
! to proton shift 1.439000
! from heavyatom shift 13.403000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 18
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hd*) (resid 53 and resn LEU and name hb*) 4.400000 2.600000 2.600000 
    or (resid 27 and resn ile and name hd*) (resid 73 and resn LEU and name hd*) 
 
! 
! peak name 3dC180
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 20900.000000
! from proton shift 2.693000
! to proton shift 1.904000
! from heavyatom shift 34.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 180
! note degeneracy 34, 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 44 and resn GLN and name hg*) (resid 39 and resn ile and name hb) 4.150000 2.350000 2.350000 
    or (resid 44 and resn GLN and name hg*) (resid 39 and resn ile and name hg2#) 
    or (resid 44 and resn GLN and name hg*) (resid 43 and resn ARG and name hb*) 
 
! 
! peak name 3dC186
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 1.936000
! to proton shift 1.556000
! from heavyatom shift 32.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 186
! note degeneracy 120, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn MET and name hg*) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 25 and resn LYS and name hb*) (resid 25 and resn LYS and name hg*) 
    or (resid 51 and resn MET and name hg*) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dC187
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 192000.000000
! from proton shift 1.881000
! to proton shift 1.641000
! from heavyatom shift 32.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 187
! note degeneracy 115, 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 79 and resn LYS and name hb*) (resid 79 and resn LYS and name hd*) 2.250000 0.450000 0.450000 
    or (resid 79 and resn LYS and name hb*) (resid 79 and resn LYS and name hg*) 
 
! 
! peak name 3dC189
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 93900.000000
! from proton shift 1.748000
! to proton shift 3.828000
! from heavyatom shift 32.620000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 189
! 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 10 and resn LYS and name hb*) (resid 7 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC190
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 1.741000
! to proton shift 1.368000
! from heavyatom shift 32.639000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 190
! 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
! 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 LYS and name hb*) (resid 10 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC192
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 20400.000000
! from proton shift 2.239000
! to proton shift 0.408000
! from heavyatom shift 32.953000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 192
! 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 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 MET and name hb*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC193
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18800.000000
! from proton shift 2.245000
! to proton shift 0.695000
! from heavyatom shift 32.875000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 193
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn MET and name hb*) (resid 54 and resn ile and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC195
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62600.000000
! from proton shift 2.285000
! to proton shift 0.932000
! from heavyatom shift 36.365000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 195
! note degeneracy 80, 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 49 and resn GLU and name hg*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 59 and resn GLU and name hg*) (resid 56 and resn LEU and name hd*) 
 
! 
! peak name 3dC196
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 2.139000
! to proton shift 0.199000
! from heavyatom shift 38.497000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 196
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hb) (resid 27 and resn ile and name hd*) 2.800000 1.000000 1.000000 
    or (resid 27 and resn ile and name hb) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC197
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 158000.000000
! from proton shift 2.096000
! to proton shift 0.771000
! from heavyatom shift 38.188000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 197
! 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 34 and resn ile and name hb) (resid 34 and resn ile and name hg11) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC199
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52700.000000
! from proton shift 2.105000
! to proton shift 1.158000
! from heavyatom shift 38.209000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 199
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn ile and name hb) (resid 31 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 34 and resn ile and name hb) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dC2
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 92700.000000
! from proton shift 0.902000
! to proton shift 1.889000
! from heavyatom shift 12.589000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 2
! note degeneracy 30, 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 39 and resn ile and name hd*) (resid 39 and resn ile and name hb) 3.050000 1.250000 1.250000 
    or (resid 39 and resn ile and name hd*) (resid 39 and resn ile and name hg2#) 
 
! 
! peak name 3dC200
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52800.000000
! from proton shift 3.522000
! to proton shift 0.744000
! from heavyatom shift 37.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 200
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 24 and resn TYR and name hb*) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 24 and resn TYR and name hb*) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dC201
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69700.000000
! from proton shift 3.421000
! to proton shift 0.744000
! from heavyatom shift 37.867000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 201
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 24 and resn TYR and name hb*) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 24 and resn TYR and name hb*) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dC202
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 44000.000000
! from proton shift 3.324000
! to proton shift 0.195000
! from heavyatom shift 38.503000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 202
! 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
! note degeneracy 1, 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 hb*) (resid 27 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 57 and resn TYR and name hb*) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC203
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 90400.000000
! from proton shift 3.323000
! to proton shift 3.480000
! from heavyatom shift 38.568000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 203
! 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 57 and resn TYR and name hb*) (resid 54 and resn ile and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC204
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82100.000000
! from proton shift 3.327000
! to proton shift 4.056000
! from heavyatom shift 38.536000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 204
! 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 57 and resn TYR and name hb*) (resid 57 and resn tyr and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC206
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31800.000000
! from proton shift 3.229000
! to proton shift 1.165000
! from heavyatom shift 36.785000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 206
! note degeneracy 10, 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 70 and resn PHE and name hb*) (resid 9 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
    or (resid 70 and resn PHE and name hb*) (resid 67 and resn LEU and name hd*) 
    or (resid 70 and resn PHE and name hb*) (resid 67 and resn leu and name hg) 
 
! 
! peak name 3dC212
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61700.000000
! from proton shift 1.461000
! to proton shift 3.767000
! from heavyatom shift 41.051000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 212
! note degeneracy 32, with previousLikelihood range 0.900000  .. 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 9 and resn LEU and name hb*) (resid 9 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC213
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59900.000000
! from proton shift 1.524000
! to proton shift 3.542000
! from heavyatom shift 41.503000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 213
! 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 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 73 and resn LEU and name hb*) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC214
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 258000.000000
! from proton shift 1.895000
! to proton shift 1.055000
! from heavyatom shift 39.161000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 214
! 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 39 and resn ile and name hb) (resid 39 and resn ile and name hg12) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC215
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49500.000000
! from proton shift 1.892000
! to proton shift 1.163000
! from heavyatom shift 39.229000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 215
! note degeneracy 10, 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 39 and resn ile and name hb) (resid 39 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC216
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 2.004000
! to proton shift 0.897000
! from heavyatom shift 41.003000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 216
! 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 50 and resn LEU and name hb*) (resid 50 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC217
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61200.000000
! from proton shift 2.024000
! to proton shift 0.950000
! from heavyatom shift 41.167000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 217
! note degeneracy 38, 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 9 and resn LEU and name hb*) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC218
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 110000.000000
! from proton shift 2.017000
! to proton shift 1.031000
! from heavyatom shift 41.071000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 218
! 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 9 and resn LEU and name hb*) (resid 9 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC219
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61200.000000
! from proton shift 1.998000
! to proton shift 1.082000
! from heavyatom shift 40.987000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 219
! 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
! note degeneracy 1, 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 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 9 and resn LEU and name hb*) (resid 73 and resn LEU and name hd*) 
 
! 
! peak name 3dC220
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55200.000000
! from proton shift 2.015000
! to proton shift 1.235000
! from heavyatom shift 41.075000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 220
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 LEU and name hb*) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC221
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59100.000000
! from proton shift 2.002000
! to proton shift 4.098000
! from heavyatom shift 41.038000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 221
! note degeneracy 54, 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 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 9 and resn LEU and name hb*) (resid 10 and resn lys and name ha) 3.400000 1.600000 1.600000 
    or (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name ha) 
 
! 
! peak name 3dC222
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65000.000000
! from proton shift 1.473000
! to proton shift 0.952000
! from heavyatom shift 41.114000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 222
! note degeneracy 95, 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 50 and resn LEU and name hb*) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 9 and resn LEU and name hb*) (resid 8 and resn VAL and name hg*) 
 
! 
! peak name 3dC224
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 40200.000000
! from proton shift 1.591000
! to proton shift 3.828000
! from heavyatom shift 29.527000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 224
! note degeneracy 50, 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 10 and resn LYS and name hd*) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC225
! bounds 6.000000 1.800000
! likelihood 0.940000
! intensity 28700.000000
! from proton shift 1.599000
! to proton shift 4.159000
! from heavyatom shift 29.445000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 225
! note degeneracy 174, 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 10 and resn LYS and name hd*) (resid 17 and resn GLY and name ha*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC226
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 45600.000000
! from proton shift 1.643000
! to proton shift 0.742000
! from heavyatom shift 29.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 226
! note degeneracy 35, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 25 and resn LYS and name hd*) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 25 and resn LYS and name hd*) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dC227
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52600.000000
! from proton shift 1.619000
! to proton shift 0.625000
! from heavyatom shift 29.886000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 227
! 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 12 and resn ARG and name hb*) (resid 12 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC230
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 132000.000000
! from proton shift 3.354000
! to proton shift 4.196000
! from heavyatom shift 28.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 230
! 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 48 and resn HIS and name hb*) (resid 48 and resn his and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC231
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 34900.000000
! from proton shift 0.903000
! to proton shift 0.527000
! from heavyatom shift 28.931000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 231
! 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 0, 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 34 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC234
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 81300.000000
! from proton shift 0.904000
! to proton shift 1.440000
! from heavyatom shift 28.936000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 234
! 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 50 and resn leu and name hg) (resid 50 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC235
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 0.907000
! to proton shift 1.541000
! from heavyatom shift 28.920000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 235
! 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 50 and resn leu and name hg) (resid 50 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC236
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 98800.000000
! from proton shift 0.904000
! to proton shift 1.987000
! from heavyatom shift 28.919000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 236
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 3dC237
! bounds 6.000000 1.800000
! likelihood 0.910000
! intensity 19400.000000
! from proton shift 0.910000
! to proton shift 1.697000
! from heavyatom shift 28.903000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 237
! 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 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 50 and resn leu and name hg) (resid 30 and resn LYS and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC240
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 82500.000000
! from proton shift 0.955000
! to proton shift 0.696000
! from heavyatom shift 27.890000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 240
! 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 73 and resn leu and name hg) (resid 54 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC241
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64500.000000
! from proton shift 0.960000
! to proton shift 1.520000
! from heavyatom shift 27.867000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 241
! note degeneracy 23, 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 73 and resn leu and name hg) (resid 73 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 73 and resn leu and name hg) (resid 77 and resn LEU and name hd*) 
 
! 
! peak name 3dC243
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12100.000000
! from proton shift 0.963000
! to proton shift 3.544000
! from heavyatom shift 27.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 243
! 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 73 and resn leu and name hg) (resid 73 and resn leu and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC244
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 141000.000000
! from proton shift 1.497000
! to proton shift 0.343000
! from heavyatom shift 27.403000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 244
! 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 28 and resn leu and name hg) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC246
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52600.000000
! from proton shift 1.509000
! to proton shift 3.821000
! from heavyatom shift 27.366000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 246
! 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 28 and resn leu and name hg) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC249
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61700.000000
! from proton shift 3.827000
! to proton shift 0.341000
! from heavyatom shift 58.400000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 249
! 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 28 and resn leu and name ha) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC250
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 171000.000000
! from proton shift 3.855000
! to proton shift 2.124000
! from heavyatom shift 58.663000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 250
! note degeneracy 125, 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 76 and resn gln and name ha) (resid 76 and resn GLN and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC251
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24600.000000
! from proton shift 3.784000
! to proton shift -0.069000
! from heavyatom shift 58.214000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 251
! 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 9 and resn leu and name ha) (resid 8 and resn VAL and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC252
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 79000.000000
! from proton shift 3.679000
! to proton shift 0.410000
! from heavyatom shift 60.029000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 252
! 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 0, with previousLikelihood range 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 78 and resn glu and name ha) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC253
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 122000.000000
! from proton shift 3.679000
! to proton shift 2.120000
! from heavyatom shift 60.001000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 253
! note degeneracy 25, 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 78 and resn glu and name ha) (resid 78 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC255
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43900.000000
! from proton shift 3.678000
! to proton shift 1.427000
! from heavyatom shift 59.997000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 255
! 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 78 and resn glu and name ha) (resid 80 and resn ala and name hb#) 3.650000 1.850000 1.850000 
    or (resid 78 and resn glu and name ha) (resid 81 and resn LEU and name hb*) 
 
! 
! peak name 3dC258
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39400.000000
! from proton shift 4.162000
! to proton shift 0.898000
! from heavyatom shift 45.243000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 258
! 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 17 and resn GLY and name ha*) (resid 16 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC259
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 66500.000000
! from proton shift 4.528000
! to proton shift 1.986000
! from heavyatom shift 54.953000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 259
! note degeneracy 26, 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 69 and resn ala and name ha) (resid 72 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC260
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61400.000000
! from proton shift 4.231000
! to proton shift 0.408000
! from heavyatom shift 55.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 260
! 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 81 and resn leu and name ha) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC261
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 486000.000000
! from proton shift 4.231000
! to proton shift 0.875000
! from heavyatom shift 55.111000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 261
! 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 81 and resn leu and name ha) (resid 81 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC262
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 208000.000000
! from proton shift 4.225000
! to proton shift 1.429000
! from heavyatom shift 55.056000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 262
! 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 81 and resn leu and name ha) (resid 81 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC269
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 30600.000000
! from proton shift 1.791000
! to proton shift 3.672000
! from heavyatom shift 43.630000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 269
! 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 81 and resn LEU and name hb*) (resid 78 and resn glu and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC270
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 98500.000000
! from proton shift 1.803000
! to proton shift 0.865000
! from heavyatom shift 43.669000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 270
! 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 81 and resn LEU and name hb*) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC271
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 122000.000000
! from proton shift 1.804000
! to proton shift 0.408000
! from heavyatom shift 43.661000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 271
! 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 81 and resn LEU and name hb*) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC274
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65800.000000
! from proton shift 2.075000
! to proton shift 0.926000
! from heavyatom shift 44.034000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 274
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 LEU and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC276
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27800.000000
! from proton shift 2.078000
! to proton shift 3.406000
! from heavyatom shift 44.134000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 276
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn LEU and name hb*) (resid 34 and resn ile and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC277
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43000.000000
! from proton shift 2.083000
! to proton shift 4.149000
! from heavyatom shift 44.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 277
! note degeneracy 28, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn LEU and name hb*) (resid 45 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
    or (resid 46 and resn LEU and name hb*) (resid 46 and resn leu and name ha) 
 
! 
! peak name 3dC280
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52700.000000
! from proton shift 3.170000
! to proton shift 0.948000
! from heavyatom shift 43.812000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 280
! note degeneracy 57, 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 74 and resn ARG and name hd*) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC281
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 43900.000000
! from proton shift 3.277000
! to proton shift 0.815000
! from heavyatom shift 43.570000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 281
! 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 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 26 and resn ARG and name hd*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC283
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 81900.000000
! from proton shift 3.160000
! to proton shift 1.457000
! from heavyatom shift 43.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 283
! 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 74 and resn ARG and name hd*) (resid 74 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC284
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 240000.000000
! from proton shift 3.273000
! to proton shift 1.671000
! from heavyatom shift 43.709000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 284
! note degeneracy 57, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn ARG and name hd*) (resid 26 and resn ARG and name hg*) 2.250000 0.450000 0.450000 
    or (resid 33 and resn ARG and name hd*) (resid 33 and resn ARG and name hg*) 
 
! 
! peak name 3dC285
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 432000.000000
! from proton shift 3.284000
! to proton shift 1.884000
! from heavyatom shift 43.822000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 285
! note degeneracy 90, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn ARG and name hd*) (resid 26 and resn ARG and name hb*) 2.250000 0.450000 0.450000 
    or (resid 74 and resn ARG and name hd*) (resid 74 and resn ARG and name hg*) 
 
! 
! peak name 3dC286
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56000.000000
! from proton shift 3.287000
! to proton shift 2.214000
! from heavyatom shift 43.820000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 286
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn ARG and name hd*) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000 
    or (resid 74 and resn ARG and name hd*) (resid 74 and resn ARG and name hb*) 
 
! 
! peak name 3dC287
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42200.000000
! from proton shift 3.155000
! to proton shift 2.217000
! from heavyatom shift 43.900000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 287
! note degeneracy 45, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn ARG and name hd*) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000 
    or (resid 74 and resn ARG and name hd*) (resid 74 and resn ARG and name hb*) 
 
! 
! peak name 3dC289
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56700.000000
! from proton shift 1.893000
! to proton shift 3.682000
! from heavyatom shift 38.059000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 289
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hb) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000 
    or (resid 54 and resn ile and name hb) (resid 74 and resn arg and name ha) 
 
! 
! peak name 3dC290
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45000.000000
! from proton shift 1.894000
! to proton shift 3.480000
! from heavyatom shift 38.078000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 290
! 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 54 and resn ile and name hb) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC291
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 9740.000000
! from proton shift 1.898000
! to proton shift 3.282000
! from heavyatom shift 37.996000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 291
! 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 54 and resn ile and name hb) (resid 74 and resn ARG and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC292
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16400.000000
! from proton shift 1.908000
! to proton shift 3.159000
! from heavyatom shift 37.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 292
! 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 54 and resn ile and name hb) (resid 74 and resn ARG and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC293
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 198000.000000
! from proton shift 2.122000
! to proton shift 3.126000
! from heavyatom shift 34.051000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 293
! 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 47 and resn MET and name hg*) (resid 47 and resn MET and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC294
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76900.000000
! from proton shift 2.131000
! to proton shift 3.930000
! from heavyatom shift 33.968000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 294
! 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 47 and resn MET and name hg*) (resid 47 and resn met and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC295
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 2.137000
! to proton shift 2.473000
! from heavyatom shift 34.024000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 295
! 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 47 and resn MET and name hg*) (resid 47 and resn MET and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC296
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13500.000000
! from proton shift 2.137000
! to proton shift 1.086000
! from heavyatom shift 33.900000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 296
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn MET and name hg*) (resid 73 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC297
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 25800.000000
! from proton shift 2.131000
! to proton shift 0.985000
! from heavyatom shift 33.836000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 297
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn MET and name hg*) (resid 3 and resn VAL and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC298
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41500.000000
! from proton shift 2.488000
! to proton shift 0.875000
! from heavyatom shift 33.497000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 298
! 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 47 and resn MET and name hb*) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC299
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 32800.000000
! from proton shift 2.490000
! to proton shift 0.406000
! from heavyatom shift 33.493000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 299
! 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 47 and resn MET and name hb*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC3
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 209000.000000
! from proton shift 0.900000
! to proton shift 1.589000
! from heavyatom shift 12.542000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 3
! 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 39 and resn ile and name hd*) (resid 39 and resn ile and name hg2#) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC300
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39800.000000
! from proton shift 2.517000
! to proton shift 3.927000
! from heavyatom shift 33.482000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 300
! 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 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 47 and resn MET and name hb*) (resid 47 and resn met and name ha) 3.400000 1.600000 1.600000 
    or (resid 47 and resn MET and name hb*) (resid 77 and resn leu and name ha) 
 
! 
! peak name 3dC302
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24900.000000
! from proton shift 2.670000
! to proton shift 1.205000
! from heavyatom shift 33.005000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 302
! 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 51 and resn MET and name hb*) (resid 77 and resn LEU and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC303
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 21500.000000
! from proton shift 2.684000
! to proton shift 0.408000
! from heavyatom shift 32.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 303
! 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 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 MET and name hb*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC304
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 21800.000000
! from proton shift 2.230000
! to proton shift 1.466000
! from heavyatom shift 32.970000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 304
! 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 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 51 and resn MET and name hb*) (resid 53 and resn LEU and name hb*) 3.900000 2.100000 2.100000 
    or (resid 51 and resn MET and name hb*) (resid 74 and resn ARG and name hg*) 
 
! 
! peak name 3dC306
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67800.000000
! from proton shift 2.237000
! to proton shift 4.198000
! from heavyatom shift 33.005000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 306
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn MET and name hb*) (resid 48 and resn his and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC307
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 247000.000000
! from proton shift 2.231000
! to proton shift 3.677000
! from heavyatom shift 32.961000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 307
! 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 51 and resn MET and name hb*) (resid 51 and resn met and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC309
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49200.000000
! from proton shift 2.219000
! to proton shift 3.155000
! from heavyatom shift 30.137000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 309
! note degeneracy 65, 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 71 and resn ARG and name hb*) (resid 71 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC310
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 2.020000
! to proton shift 2.394000
! from heavyatom shift 27.312000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 310
! note degeneracy 68, 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 hg*) (resid 62 and resn PRO and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC311
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 406000.000000
! from proton shift 1.710000
! to proton shift 1.163000
! from heavyatom shift 27.409000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 311
! note degeneracy 50, 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 20 and resn ile and name hg11) (resid 20 and resn ile and name hg12) 2.500000 0.700000 0.700000 
    or (resid 20 and resn ile and name hg11) (resid 20 and resn ile and name hg2#) 
 
! 
! peak name 3dC315
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 471000.000000
! from proton shift 4.289000
! to proton shift 1.244000
! from heavyatom shift 68.679000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 315
! 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 75 and resn thr and name hb) (resid 75 and resn thr and name hg2#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC316
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17400.000000
! from proton shift 4.301000
! to proton shift 2.116000
! from heavyatom shift 68.774000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 316
! note degeneracy 25, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn thr and name hb) (resid 73 and resn LEU and name hb*) 3.900000 2.100000 2.100000 
    or (resid 75 and resn thr and name hb) (resid 76 and resn GLN and name hg*) 
 
! 
! peak name 3dC317
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14900.000000
! from proton shift 4.304000
! to proton shift 2.189000
! from heavyatom shift 68.681000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 317
! 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 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 75 and resn thr and name hb) (resid 72 and resn GLU and name hb*) 3.900000 2.100000 2.100000 
    or (resid 75 and resn thr and name hb) (resid 72 and resn GLU and name hb*) 
 
! 
! peak name 3dC319
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 287000.000000
! from proton shift 4.290000
! to proton shift 4.082000
! from heavyatom shift 68.739000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 319
! note degeneracy 29, 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 75 and resn thr and name hb) (resid 75 and resn thr and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC323
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 488000.000000
! from proton shift 3.497000
! to proton shift 0.843000
! from heavyatom shift 66.202000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 323
! note degeneracy 51, 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 8 and resn val and name ha) (resid 8 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC324
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 248000.000000
! from proton shift 3.493000
! to proton shift -0.069000
! from heavyatom shift 66.237000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 324
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 val and name ha) (resid 8 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC325
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 134000.000000
! from proton shift 3.488000
! to proton shift 0.197000
! from heavyatom shift 66.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 325
! note degeneracy 6, 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 27 and resn ile and name ha) (resid 27 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 hd*) 
 
! 
! peak name 3dC329
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 115000.000000
! from proton shift 3.418000
! to proton shift 0.901000
! from heavyatom shift 66.443000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 329
! note degeneracy 63, 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 34 and resn ile and name ha) (resid 34 and resn ile and name hg2#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC330
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31300.000000
! from proton shift 3.414000
! to proton shift 1.181000
! from heavyatom shift 66.435000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 330
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn ile and name ha) (resid 46 and resn LEU and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC331
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 221000.000000
! from proton shift 3.496000
! to proton shift 1.405000
! from heavyatom shift 66.203000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 331
! note degeneracy 63, 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 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 8 and resn val and name ha) (resid 11 and resn ala and name hb#) 2.500000 0.700000 0.700000 
    or (resid 8 and resn val and name ha) (resid 11 and resn ala and name hb#) 
 
! 
! peak name 3dC333
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 173000.000000
! from proton shift 3.497000
! to proton shift 1.741000
! from heavyatom shift 66.192000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 333
! note degeneracy 51, 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 54 and resn ile and name ha) (resid 54 and resn ile and name hg11) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC334
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 3.497000
! to proton shift 1.887000
! from heavyatom shift 66.126000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 334
! note degeneracy 90, 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 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 27 and resn ile and name ha) (resid 30 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
    or (resid 54 and resn ile and name ha) (resid 54 and resn ile and name hb) 
 
! 
! peak name 3dC337
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65500.000000
! from proton shift 4.124000
! to proton shift 1.741000
! from heavyatom shift 66.104000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 337
! 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 6 and resn pro and name ha) (resid 6 and resn PRO and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC339
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 45600.000000
! from proton shift 4.514000
! to proton shift 1.051000
! from heavyatom shift 64.613000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 339
! 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 0, 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 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC340
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 214000.000000
! from proton shift 4.516000
! to proton shift 2.392000
! from heavyatom shift 64.605000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 340
! 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 62 and resn pro and name ha) (resid 62 and resn PRO and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC341
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42900.000000
! from proton shift 4.511000
! to proton shift 3.379000
! from heavyatom shift 64.731000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 341
! 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 62 and resn pro and name ha) (resid 62 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC343
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 323000.000000
! from proton shift 3.969000
! to proton shift 4.378000
! from heavyatom shift 64.295000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 343
! 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 60 and resn SER and name hb*) (resid 60 and resn ser and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC351
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 226000.000000
! from proton shift 4.528000
! to proton shift 2.314000
! from heavyatom shift 62.618000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 351
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 pro and name ha) (resid 19 and resn PRO and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC352
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 81600.000000
! from proton shift 4.529000
! to proton shift 2.009000
! from heavyatom shift 62.548000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 352
! 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 19 and resn pro and name ha) (resid 19 and resn PRO and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC354
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 71400.000000
! from proton shift 4.514000
! to proton shift 4.090000
! from heavyatom shift 62.426000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 354
! 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 0, with previousLikelihood range 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 pro and name ha) (resid 20 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC355
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 4.527000
! to proton shift 1.828000
! from heavyatom shift 62.580000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 355
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 19 and resn pro and name ha) (resid 19 and resn PRO and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC356
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55400.000000
! from proton shift 3.914000
! to proton shift 1.571000
! from heavyatom shift 62.750000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 356
! 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 16 and resn ile and name ha) (resid 16 and resn ile and name hg12) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC357
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 3.916000
! to proton shift 1.822000
! from heavyatom shift 62.702000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 357
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ile and name ha) (resid 16 and resn ile and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC358
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 95200.000000
! from proton shift 3.909000
! to proton shift 1.254000
! from heavyatom shift 62.751000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 358
! 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 16 and resn ile and name ha) (resid 16 and resn ile and name hg2#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC360
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 4.097000
! to proton shift 1.164000
! from heavyatom shift 62.717000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 360
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn ile and name ha) (resid 20 and resn ile and name hg2#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC361
! bounds 3.300000 1.800000
! likelihood 0.900000
! intensity 77400.000000
! from proton shift 4.097000
! to proton shift 1.706000
! from heavyatom shift 62.682000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 361
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn ile and name ha) (resid 20 and resn ile and name hg11) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC362
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 92100.000000
! from proton shift 4.091000
! to proton shift 1.850000
! from heavyatom shift 62.710000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 362
! note degeneracy 62, 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 ile and name ha) (resid 20 and resn ile and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC366
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 155000.000000
! from proton shift 4.069000
! to proton shift 3.111000
! from heavyatom shift 61.884000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 366
! 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 57 and resn tyr and name ha) (resid 57 and resn TYR and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC370
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38100.000000
! from proton shift 4.014000
! to proton shift 2.317000
! from heavyatom shift 51.282000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 370
! 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 19 and resn PRO and name hd*) (resid 19 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC372
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 1040000.000000
! from proton shift 4.117000
! to proton shift 1.415000
! from heavyatom shift 54.660000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 372
! note degeneracy 66, 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 11 and resn ala and name ha) (resid 11 and resn ala and name hb#) 2.500000 0.700000 0.700000 
    or (resid 11 and resn ala and name ha) (resid 11 and resn ala and name hb#) 
 
! 
! peak name 3dC377
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 4.039000
! to proton shift 0.626000
! from heavyatom shift 56.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 377
! 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 12 and resn arg and name ha) (resid 12 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC378
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83400.000000
! from proton shift 4.047000
! to proton shift 1.318000
! from heavyatom shift 56.667000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 378
! 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 12 and resn arg and name ha) (resid 12 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC379
! bounds 2.700000 1.800000
! likelihood 0.980000
! intensity 213000.000000
! from proton shift 4.040000
! to proton shift 2.869000
! from heavyatom shift 56.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_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 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 12 and resn arg and name ha) (resid 12 and resn ARG and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC381
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43100.000000
! from proton shift 4.177000
! to proton shift 2.196000
! from heavyatom shift 56.354000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 381
! 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 84 and resn glu and name ha) (resid 84 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC383
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 136000.000000
! from proton shift 3.553000
! to proton shift 1.513000
! from heavyatom shift 57.443000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 383
! 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 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 73 and resn leu and name ha) (resid 73 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
    or (resid 73 and resn leu and name ha) (resid 77 and resn LEU and name hd*) 
 
! 
! peak name 3dC385
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19500.000000
! from proton shift 3.547000
! to proton shift 1.978000
! from heavyatom shift 57.446000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 385
! 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 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 ha) (resid 74 and resn ARG and name hb*) 3.900000 2.100000 2.100000 
    or (resid 73 and resn leu and name ha) (resid 72 and resn GLU and name hg*) 
 
! 
! peak name 3dC388
! bounds 3.300000 1.800000
! likelihood 0.950000
! intensity 104000.000000
! from proton shift 4.353000
! to proton shift 1.161000
! from heavyatom shift 60.169000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 388
! 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 39 and resn ile and name ha) (resid 39 and resn ile and name hg11) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC389
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77000.000000
! from proton shift 4.349000
! to proton shift 1.600000
! from heavyatom shift 60.131000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 389
! 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 39 and resn ile and name ha) (resid 39 and resn ile and name hg2#) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC390
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 72900.000000
! from proton shift 4.354000
! to proton shift 1.890000
! from heavyatom shift 60.114000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 390
! note degeneracy 90, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000  .. 2.000000
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn ile and name ha) (resid 39 and resn ile and name hb) 2.800000 1.000000 1.000000 
    or (resid 39 and resn ile and name ha) (resid 39 and resn ile and name hg2#) 
 
! 
! peak name 3dC391
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 399000.000000
! from proton shift 4.389000
! to proton shift 3.954000
! from heavyatom shift 59.970000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 391
! 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 60 and resn ser and name ha) (resid 60 and resn SER and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC393
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 170000.000000
! from proton shift 4.274000
! to proton shift 3.248000
! from heavyatom shift 59.523000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 393
! 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
! 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 his and name ha) (resid 35 and resn HIS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC395
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 378000.000000
! from proton shift 3.925000
! to proton shift 2.339000
! from heavyatom shift 59.284000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 395
! note degeneracy 64, 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 glu and name ha) (resid 58 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC4
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 247000.000000
! from proton shift 0.907000
! to proton shift 1.165000
! from heavyatom shift 12.578000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 4
! note degeneracy 10, 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 39 and resn ile and name hd*) (resid 39 and resn ile and name hg11) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC400
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 56300.000000
! from proton shift 3.745000
! to proton shift 2.079000
! from heavyatom shift 63.500000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 400
! 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 37 and resn SER and name hb*) (resid 33 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 37 and resn SER and name hb*) (resid 42 and resn GLU and name hb*) 
 
! 
! peak name 3dC408
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 94500.000000
! from proton shift 3.681000
! to proton shift 1.277000
! from heavyatom shift 60.888000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 408
! 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 25 and resn lys and name ha) (resid 25 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC409
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 51900.000000
! from proton shift 3.692000
! to proton shift 2.669000
! from heavyatom shift 60.950000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 409
! note degeneracy 27, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn met and name ha) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000 
    or (resid 74 and resn arg and name ha) (resid 51 and resn MET and name hb*) 
 
! 
! peak name 3dC410
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 462000.000000
! from proton shift 3.692000
! to proton shift 2.225000
! from heavyatom shift 60.948000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 410
! note degeneracy 42, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn met and name ha) (resid 51 and resn MET and name hb*) 2.250000 0.450000 0.450000 
    or (resid 74 and resn arg and name ha) (resid 74 and resn ARG and name hb*) 
 
! 
! peak name 3dC411
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 3.705000
! to proton shift 1.453000
! from heavyatom shift 60.849000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 411
! note degeneracy 69, 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 74 and resn arg and name ha) (resid 74 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC413
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65600.000000
! from proton shift 3.950000
! to proton shift 2.470000
! from heavyatom shift 60.922000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 413
! 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 47 and resn met and name ha) (resid 47 and resn MET and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC414
! bounds 2.700000 1.800000
! likelihood 0.970000
! intensity 263000.000000
! from proton shift 3.818000
! to proton shift 2.076000
! from heavyatom shift 61.010000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 414
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn arg and name ha) (resid 46 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC416
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42200.000000
! from proton shift 3.830000
! to proton shift 1.205000
! from heavyatom shift 61.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 416
! 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
! 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 arg and name ha) (resid 46 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC42
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 165000.000000
! from proton shift 0.510000
! to proton shift 2.099000
! from heavyatom shift 16.484000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 42
! 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 34 and resn ile and name hd*) (resid 34 and resn ile and name hb) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC423
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66500.000000
! from proton shift 3.885000
! to proton shift 0.984000
! from heavyatom shift 50.269000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 423
! 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 6 and resn PRO and name hd*) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 6 and resn PRO and name hd*) (resid 5 and resn thr and name hg1) 
 
! 
! peak name 3dC424
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 154000.000000
! from proton shift 3.883000
! to proton shift 2.320000
! from heavyatom shift 50.231000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 424
! note degeneracy 17, 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 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hb*) 2.550000 0.750000 0.750000 
    or (resid 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hg*) 
 
! 
! peak name 3dC425
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 38000.000000
! from proton shift 2.491000
! to proton shift 0.757000
! from heavyatom shift 27.916000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 425
! 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 76 and resn GLN and name hb*) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC427
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36700.000000
! from proton shift 1.460000
! to proton shift 3.282000
! from heavyatom shift 28.204000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 427
! 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 74 and resn ARG and name hg*) (resid 74 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC428
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44700.000000
! from proton shift 1.463000
! to proton shift 3.696000
! from heavyatom shift 28.274000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 428
! 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 74 and resn ARG and name hg*) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000 
    or (resid 74 and resn ARG and name hg*) (resid 74 and resn arg and name ha) 
 
! 
! peak name 3dC429
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44900.000000
! from proton shift 1.457000
! to proton shift 3.148000
! from heavyatom shift 28.189000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 429
! 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 74 and resn ARG and name hg*) (resid 74 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC43
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 22700.000000
! from proton shift 0.512000
! to proton shift 1.640000
! from heavyatom shift 16.507000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 43
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn ile and name hd*) (resid 31 and resn LEU and name hd*) 4.400000 2.600000 2.600000 
 
! 
! peak name 3dC430
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 58300.000000
! from proton shift 1.455000
! to proton shift 2.218000
! from heavyatom shift 28.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 430
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn ARG and name hg*) (resid 71 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 74 and resn ARG and name hg*) (resid 74 and resn ARG and name hb*) 
 
! 
! peak name 3dC431
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 85100.000000
! from proton shift 1.983000
! to proton shift 3.670000
! from heavyatom shift 29.700000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 431
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 GLU and name hb*) (resid 78 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC432
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27900.000000
! from proton shift 1.395000
! to proton shift 3.777000
! from heavyatom shift 29.945000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 432
! 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 12 and resn ARG and name hb*) (resid 9 and resn leu and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC433
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74500.000000
! from proton shift 2.541000
! to proton shift 3.669000
! from heavyatom shift 37.330000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 433
! 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 78 and resn GLU and name hg*) (resid 78 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC436
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 2.131000
! to proton shift 1.980000
! from heavyatom shift 37.438000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 436
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 GLU and name hg*) (resid 78 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC437
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 2.129000
! to proton shift 2.347000
! from heavyatom shift 37.290000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 437
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 GLU and name hg*) (resid 78 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC438
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 112000.000000
! from proton shift 1.210000
! to proton shift 0.803000
! from heavyatom shift 41.631000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 438
! 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 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 77 and resn LEU and name hb*) (resid 77 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 77 and resn LEU and name hb*) (resid 77 and resn leu and name hg) 
 
! 
! peak name 3dC439
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 20500.000000
! from proton shift 1.205000
! to proton shift 0.410000
! from heavyatom shift 41.590000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 439
! 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 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 LEU and name hb*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC44
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79800.000000
! from proton shift 0.509000
! to proton shift 3.406000
! from heavyatom shift 16.469000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 44
! 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 34 and resn ile and name hd*) (resid 34 and resn ile and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC441
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36900.000000
! from proton shift 1.203000
! to proton shift 1.982000
! from heavyatom shift 41.639000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 441
! note degeneracy 27, 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 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn LEU and name hb*) (resid 74 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 77 and resn LEU and name hb*) (resid 78 and resn GLU and name hb*) 
    or (resid 77 and resn LEU and name hb*) (resid 50 and resn LEU and name hb*) 
 
! 
! peak name 3dC442
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27200.000000
! from proton shift 1.213000
! to proton shift 1.909000
! from heavyatom shift 41.722000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 442
! note degeneracy 36, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn LEU and name hb*) (resid 76 and resn GLN and name hb*) 3.900000 2.100000 2.100000 
    or (resid 77 and resn LEU and name hb*) (resid 51 and resn MET and name hg*) 
    or (resid 77 and resn LEU and name hb*) (resid 51 and resn MET and name hg*) 
 
! 
! peak name 3dC443
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25700.000000
! from proton shift 1.206000
! to proton shift 1.779000
! from heavyatom shift 41.543000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 443
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn LEU and name hb*) (resid 47 and resn MET and name hg*) 3.900000 2.100000 2.100000 
    or (resid 77 and resn LEU and name hb*) (resid 81 and resn LEU and name hb*) 
 
! 
! peak name 3dC444
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27700.000000
! from proton shift 1.208000
! to proton shift 3.686000
! from heavyatom shift 41.515000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 444
! 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 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 77 and resn LEU and name hb*) (resid 51 and resn met and name ha) 3.900000 2.100000 2.100000 
    or (resid 77 and resn LEU and name hb*) (resid 74 and resn arg and name ha) 
    or (resid 77 and resn LEU and name hb*) (resid 78 and resn glu and name ha) 
 
! 
! peak name 3dC445
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76600.000000
! from proton shift 1.210000
! to proton shift 3.905000
! from heavyatom shift 41.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 445
! 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 77 and resn LEU and name hb*) (resid 77 and resn leu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC446
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 139000.000000
! from proton shift 1.882000
! to proton shift 1.164000
! from heavyatom shift 41.737000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 446
! 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 67 and resn LEU and name hb*) (resid 67 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
    or (resid 67 and resn LEU and name hb*) (resid 67 and resn leu and name hg) 
 
! 
! peak name 3dC447
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43500.000000
! from proton shift 1.555000
! to proton shift 4.393000
! from heavyatom shift 43.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 447
! 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 83 and resn LEU and name hb*) (resid 83 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC449
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62900.000000
! from proton shift 1.568000
! to proton shift 1.153000
! from heavyatom shift 42.925000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 449
! 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 1, with previousLikelihood range 0.900000  .. 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 31 and resn LEU and name hb*) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 31 and resn LEU and name hb*) (resid 31 and resn LEU and name hd*) 
    or (resid 31 and resn LEU and name hb*) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dC45
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12500.000000
! from proton shift 0.511000
! to proton shift 3.277000
! from heavyatom shift 16.475000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 45
! 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 34 and resn ile and name hd*) (resid 33 and resn ARG and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC450
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 89800.000000
! from proton shift 1.570000
! to proton shift 0.953000
! from heavyatom shift 42.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 450
! note degeneracy 38, 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 31 and resn LEU and name hb*) (resid 31 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC451
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 3.916000
! to proton shift 1.194000
! from heavyatom shift 57.691000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 451
! 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 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 66 and resn arg and name ha) (resid 66 and resn ARG and name hg*) 2.550000 0.750000 0.750000 
    or (resid 77 and resn leu and name ha) (resid 77 and resn LEU and name hb*) 
 
! 
! peak name 3dC452
! bounds 2.700000 1.800000
! likelihood 0.970000
! intensity 228000.000000
! from proton shift 3.922000
! to proton shift 1.426000
! from heavyatom shift 57.732000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 452
! note degeneracy 63, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn leu and name ha) (resid 80 and resn ala and name hb#) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC453
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 398000.000000
! from proton shift 3.916000
! to proton shift 0.815000
! from heavyatom shift 57.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 453
! 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 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 77 and resn leu and name ha) (resid 77 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC455
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 47500.000000
! from proton shift 4.477000
! to proton shift 1.241000
! from heavyatom shift 58.252000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 455
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn phe and name ha) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC457
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 1160000.000000
! from proton shift 4.161000
! to proton shift 0.925000
! from heavyatom shift 57.853000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 457
! note degeneracy 184, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn leu and name ha) (resid 46 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
    or (resid 53 and resn leu and name ha) (resid 56 and resn LEU and name hd*) 
    or (resid 56 and resn leu and name ha) (resid 56 and resn LEU and name hd*) 
 
! 
! peak name 3dC46
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18100.000000
! from proton shift 0.520000
! to proton shift 3.179000
! from heavyatom shift 16.392000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 46
! 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 0, with previousLikelihood range 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 ile and name hd*) (resid 33 and resn ARG and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC460
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 136000.000000
! from proton shift 4.159000
! to proton shift 2.951000
! from heavyatom shift 59.485000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 460
! note degeneracy 70, 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 glu and name ha) (resid 55 and resn ASP and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC461
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 63200.000000
! from proton shift 3.843000
! to proton shift 2.757000
! from heavyatom shift 60.228000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 461
! 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 7 and resn glu and name ha) (resid 10 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC462
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 3.832000
! to proton shift 1.976000
! from heavyatom shift 60.211000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 462
! 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 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 glu and name ha) (resid 7 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
    or (resid 7 and resn glu and name ha) (resid 10 and resn LYS and name hb*) 
 
! 
! peak name 3dC463
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 147000.000000
! from proton shift 4.837000
! to proton shift 2.997000
! from heavyatom shift 53.173000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 463
! 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 36 and resn asn and name ha) (resid 36 and resn ASN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC464
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 94100.000000
! from proton shift 4.837000
! to proton shift 2.744000
! from heavyatom shift 53.147000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 464
! 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 36 and resn asn and name ha) (resid 36 and resn ASN and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC466
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 99000.000000
! from proton shift 4.439000
! to proton shift 3.214000
! from heavyatom shift 57.075000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 466
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 86 and resn his and name ha) (resid 86 and resn HIS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC468
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 119000.000000
! from proton shift 3.417000
! to proton shift 2.091000
! from heavyatom shift 66.447000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 468
! 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 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 ile and name ha) (resid 34 and resn ile and name hb) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC47
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 21200.000000
! from proton shift 0.512000
! to proton shift 3.120000
! from heavyatom shift 16.419000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 47
! 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 34 and resn ile and name hd*) (resid 47 and resn MET and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC470
! bounds 3.300000 1.800000
! likelihood 0.910000
! intensity 97700.000000
! from proton shift 3.429000
! to proton shift 1.912000
! from heavyatom shift 66.386000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 470
! note degeneracy 144, 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 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 34 and resn ile and name ha) (resid 34 and resn ile and name hg12) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC472
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 9280.000000
! from proton shift 0.206000
! to proton shift 0.934000
! from heavyatom shift 13.385000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 472
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hd*) (resid 46 and resn LEU and name hd*) 4.400000 2.600000 2.600000 
    or (resid 27 and resn ile and name hd*) (resid 53 and resn LEU and name hd*) 
    or (resid 27 and resn ile and name hd*) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dC473
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 18500.000000
! from proton shift 0.205000
! to proton shift 0.817000
! from heavyatom shift 13.334000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 473
! 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 27 and resn ile and name hd*) (resid 46 and resn LEU and name hd*) 4.400000 2.600000 2.600000 
    or (resid 27 and resn ile and name hd*) (resid 77 and resn LEU and name hd*) 
 
! 
! peak name 3dC474
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 8660.000000
! from proton shift 0.198000
! to proton shift 1.439000
! from heavyatom shift 13.403000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 474
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hd*) (resid 53 and resn LEU and name hb*) 4.400000 2.600000 2.600000 
    or (resid 27 and resn ile and name hd*) (resid 73 and resn LEU and name hd*) 
 
! 
! peak name 3dC48
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14600.000000
! from proton shift 0.519000
! to proton shift 4.259000
! from heavyatom shift 16.601000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 48
! 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 34 and resn ile and name hd*) (resid 35 and resn his and name ha) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC482
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 10500.000000
! from proton shift -0.060000
! to proton shift 0.617000
! from heavyatom shift 20.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 482
! 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
! 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 VAL and name hg*) (resid 12 and resn ARG and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC483
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19200.000000
! from proton shift -0.064000
! to proton shift 1.307000
! from heavyatom shift 20.165000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 483
! 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 8 and resn VAL and name hg*) (resid 12 and resn ARG and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC484
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12000.000000
! from proton shift -0.058000
! to proton shift 1.407000
! from heavyatom shift 20.268000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 484
! note degeneracy 22, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn VAL and name hg*) (resid 11 and resn ala and name hb#) 4.400000 2.600000 2.600000 
    or (resid 8 and resn VAL and name hg*) (resid 11 and resn ala and name hb#) 
    or (resid 8 and resn VAL and name hg*) (resid 12 and resn ARG and name hb*) 
    or (resid 8 and resn VAL and name hg*) (resid 73 and resn LEU and name hd*) 
 
! 
! peak name 3dC485
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74900.000000
! from proton shift -0.063000
! to proton shift 1.717000
! from heavyatom shift 20.174000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 485
! 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 8 and resn VAL and name hg*) (resid 8 and resn val and name hb) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC486
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 6110.000000
! from proton shift -0.073000
! to proton shift 2.858000
! from heavyatom shift 20.128000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 486
! 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 8 and resn VAL and name hg*) (resid 12 and resn ARG and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC487
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11900.000000
! from proton shift -0.062000
! to proton shift 3.334000
! from heavyatom shift 20.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 487
! 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 8 and resn VAL and name hg*) (resid 4 and resn TRP and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC488
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63800.000000
! from proton shift -0.061000
! to proton shift 3.487000
! from heavyatom shift 20.164000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 488
! 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 8 and resn VAL and name hg*) (resid 8 and resn val and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC49
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11600.000000
! from proton shift 0.514000
! to proton shift 4.194000
! from heavyatom shift 16.534000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 49
! 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 34 and resn ile and name hd*) (resid 31 and resn leu and name ha) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC492
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 0.960000
! to proton shift 3.483000
! from heavyatom shift 17.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 492
! 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 54 and resn ile and name hg2#) (resid 54 and resn ile and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC493
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19300.000000
! from proton shift 0.958000
! to proton shift 3.683000
! from heavyatom shift 17.662000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 493
! 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 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 51 and resn met and name ha) 4.150000 2.350000 2.350000 
    or (resid 54 and resn ile and name hg2#) (resid 74 and resn arg and name ha) 
 
! 
! peak name 3dC494
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 110000.000000
! from proton shift 0.961000
! to proton shift 3.179000
! from heavyatom shift 17.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 494
! 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 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 70 and resn PHE and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC495
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 53300.000000
! from proton shift 0.959000
! to proton shift 3.280000
! from heavyatom shift 17.611000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 495
! 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 54 and resn ile and name hg2#) (resid 74 and resn ARG and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC496
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 12800.000000
! from proton shift 0.953000
! to proton shift 2.336000
! from heavyatom shift 17.683000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 496
! note degeneracy 16, 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 54 and resn ile and name hg2#) (resid 58 and resn GLU and name hb*) 4.150000 2.350000 2.350000 
    or (resid 54 and resn ile and name hg2#) (resid 59 and resn GLU and name hb*) 
 
! 
! peak name 3dC497
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16600.000000
! from proton shift 0.963000
! to proton shift 2.141000
! from heavyatom shift 17.501000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 497
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg2#) (resid 27 and resn ile and name hb) 4.150000 2.350000 2.350000 
    or (resid 54 and resn ile and name hg2#) (resid 52 and resn GLU and name hb*) 
    or (resid 54 and resn ile and name hg2#) (resid 58 and resn GLU and name hg*) 
    or (resid 54 and resn ile and name hg2#) (resid 59 and resn GLU and name hb*) 
    or (resid 54 and resn ile and name hg2#) (resid 73 and resn LEU and name hb*) 
 
! 
! peak name 3dC498
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59000.000000
! from proton shift 0.959000
! to proton shift 1.754000
! from heavyatom shift 17.644000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 498
! 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 54 and resn ile and name hg2#) (resid 54 and resn ile and name hg11) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC499
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 262000.000000
! from proton shift 0.959000
! to proton shift 1.884000
! from heavyatom shift 17.646000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 499
! note degeneracy 30, 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 54 and resn ile and name hg2#) (resid 54 and resn ile and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC5
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 0.741000
! to proton shift 1.701000
! from heavyatom shift 12.693000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 5
! note degeneracy 38, 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 20 and resn ile and name hd*) (resid 20 and resn ile and name hg11) 2.800000 1.000000 1.000000 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg11) 
 
! 
! peak name 3dC50
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 10800.000000
! from proton shift 0.516000
! to proton shift 3.805000
! from heavyatom shift 16.536000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 50
! 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 34 and resn ile and name hd*) (resid 43 and resn arg and name ha) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC500
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 224000.000000
! from proton shift 0.956000
! to proton shift 0.695000
! from heavyatom shift 17.658000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 500
! 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 hg2#) (resid 54 and resn ile and name hd*) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC501
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15800.000000
! from proton shift 0.945000
! to proton shift 0.202000
! from heavyatom shift 17.643000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 501
! 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
! 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 27 and resn ile and name hd*) 4.400000 2.600000 2.600000 
    or (resid 54 and resn ile and name hg2#) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC505
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 0.417000
! to proton shift 0.872000
! from heavyatom shift 25.196000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 505
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn leu and name hg) (resid 56 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC507
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55300.000000
! from proton shift 0.350000
! to proton shift 3.671000
! from heavyatom shift 24.772000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 507
! 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 28 and resn LEU and name hd*) (resid 25 and resn lys and name ha) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC508
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16200.000000
! from proton shift 0.349000
! to proton shift 3.814000
! from heavyatom shift 24.774000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 508
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn LEU and name hd*) (resid 7 and resn glu and name ha) 4.150000 2.350000 2.350000 
    or (resid 28 and resn LEU and name hd*) (resid 28 and resn leu and name ha) 
 
! 
! peak name 3dC509
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 0.986000
! to proton shift 1.836000
! from heavyatom shift 21.636000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 509
! 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 3 and resn VAL and name hg*) (resid 3 and resn val and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC516
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 69900.000000
! from proton shift 0.993000
! to proton shift 1.905000
! from heavyatom shift 21.674000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 516
! note degeneracy 34, 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 3 and resn VAL and name hg*) (resid 76 and resn GLN and name hb*) 3.900000 2.100000 2.100000 
    or (resid 3 and resn VAL and name hg*) (resid 34 and resn ile and name hg12) 
    or (resid 3 and resn VAL and name hg*) (resid 39 and resn ile and name hg2#) 
 
! 
! peak name 3dC517
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76600.000000
! from proton shift 0.981000
! to proton shift 4.272000
! from heavyatom shift 21.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 517
! 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 3 and resn VAL and name hg*) (resid 3 and resn val and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC518
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 163000.000000
! from proton shift 0.890000
! to proton shift 4.188000
! from heavyatom shift 21.459000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 518
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn VAL and name hg*) (resid 14 and resn ser and name ha) 2.800000 1.000000 1.000000 
    or (resid 15 and resn VAL and name hg*) (resid 15 and resn val and name ha) 
 
! 
! peak name 3dC524
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 0.930000
! to proton shift 4.148000
! from heavyatom shift 22.440000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 524
! note degeneracy 56, 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 53 and resn LEU and name hd*) (resid 53 and resn leu and name ha) 2.500000 0.700000 0.700000 
    or (resid 46 and resn LEU and name hd*) (resid 46 and resn leu and name ha) 
 
! 
! peak name 3dC527
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46700.000000
! from proton shift 0.927000
! to proton shift 2.081000
! from heavyatom shift 22.390000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 527
! note degeneracy 96, 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 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 5, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn LEU and name hd*) (resid 33 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
    or (resid 53 and resn LEU and name hd*) (resid 53 and resn LEU and name hb*) 
    or (resid 46 and resn LEU and name hd*) (resid 46 and resn LEU and name hb*) 
    or (resid 46 and resn LEU and name hd*) (resid 53 and resn LEU and name hb*) 
    or (resid 53 and resn LEU and name hd*) (resid 26 and resn ARG and name hb*) 
 
! 
! peak name 3dC528
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 0.933000
! to proton shift 1.971000
! from heavyatom shift 22.427000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 528
! note degeneracy 60, 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 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 53 and resn LEU and name hd*) (resid 53 and resn leu and name hg) 2.800000 1.000000 1.000000 
    or (resid 46 and resn LEU and name hd*) (resid 30 and resn LYS and name hb*) 
 
! 
! peak name 3dC530
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 103000.000000
! from proton shift 1.252000
! to proton shift 4.083000
! from heavyatom shift 22.159000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 530
! note degeneracy 29, 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 75 and resn thr and name hg2#) (resid 75 and resn thr and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC531
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44600.000000
! from proton shift 1.254000
! to proton shift 2.916000
! from heavyatom shift 22.187000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 531
! 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 0, with previousLikelihood range 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 thr and name hg2#) (resid 79 and resn LYS and name he*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC543
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83900.000000
! from proton shift 1.596000
! to proton shift 4.090000
! from heavyatom shift 25.252000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 543
! note degeneracy 150, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 79 and resn LYS and name hg*) (resid 79 and resn lys and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC544
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 162000.000000
! from proton shift 1.245000
! to proton shift 3.769000
! from heavyatom shift 23.961000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 544
! 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 9 and resn LEU and name hd*) (resid 9 and resn leu and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC545
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82500.000000
! from proton shift 0.349000
! to proton shift 1.769000
! from heavyatom shift 24.747000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 545
! note degeneracy 38, 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 28 and resn LEU and name hd*) (resid 10 and resn LYS and name hb*) 2.800000 1.000000 1.000000 
    or (resid 28 and resn LEU and name hd*) (resid 28 and resn LEU and name hb*) 
 
! 
! peak name 3dC546
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 30800.000000
! from proton shift 0.352000
! to proton shift 1.577000
! from heavyatom shift 24.751000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 546
! note degeneracy 46, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn LEU and name hd*) (resid 10 and resn LYS and name hd*) 4.150000 2.350000 2.350000 
    or (resid 28 and resn LEU and name hd*) (resid 10 and resn LYS and name hg*) 
    or (resid 28 and resn LEU and name hd*) (resid 31 and resn LEU and name hb*) 
 
! 
! peak name 3dC548
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 102000.000000
! from proton shift 0.350000
! to proton shift 1.488000
! from heavyatom shift 24.761000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 548
! 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 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 28 and resn LEU and name hd*) (resid 28 and resn leu and name hg) 3.050000 1.250000 1.250000 
    or (resid 28 and resn LEU and name hd*) (resid 29 and resn ala and name hb#) 
 
! 
! peak name 3dC549
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12400.000000
! from proton shift 0.354000
! to proton shift 2.767000
! from heavyatom shift 24.755000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 549
! 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 28 and resn LEU and name hd*) (resid 10 and resn LYS and name he*) 4.150000 2.350000 2.350000 
    or (resid 28 and resn LEU and name hd*) (resid 25 and resn LYS and name he*) 
 
! 
! peak name 3dC550
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 60300.000000
! from proton shift 0.890000
! to proton shift 2.323000
! from heavyatom shift 24.320000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 550
! 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 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 28 and resn LEU and name hd*) (resid 7 and resn GLU and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC551
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 157000.000000
! from proton shift 0.887000
! to proton shift 3.821000
! from heavyatom shift 24.279000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 551
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn LEU and name hd*) (resid 7 and resn glu and name ha) 2.800000 1.000000 1.000000 
    or (resid 28 and resn LEU and name hd*) (resid 28 and resn leu and name ha) 
 
! 
! peak name 3dC552
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17400.000000
! from proton shift 0.887000
! to proton shift 2.759000
! from heavyatom shift 24.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 552
! 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 28 and resn LEU and name hd*) (resid 10 and resn LYS and name he*) 4.150000 2.350000 2.350000 
    or (resid 28 and resn LEU and name hd*) (resid 25 and resn LYS and name he*) 
 
! 
! peak name 3dC553
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 23800.000000
! from proton shift 0.891000
! to proton shift 0.531000
! from heavyatom shift 24.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 553
! 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 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 28 and resn LEU and name hd*) (resid 27 and resn ile and name hg11) 4.400000 2.600000 2.600000 
    or (resid 28 and resn LEU and name hd*) (resid 34 and resn ile and name hd*) 
 
! 
! peak name 3dC554
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 0.909000
! to proton shift 1.748000
! from heavyatom shift 24.664000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 554
! 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 40 and resn LEU and name hd*) (resid 40 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC555
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 68100.000000
! from proton shift 0.960000
! to proton shift 4.118000
! from heavyatom shift 26.828000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 555
! note degeneracy 26, 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 31 and resn leu and name hg) (resid 6 and resn pro and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC556
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59500.000000
! from proton shift 1.186000
! to proton shift 4.087000
! from heavyatom shift 27.442000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 556
! note degeneracy 60, 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 20 and resn ile and name hg12) (resid 20 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC557
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24300.000000
! from proton shift 1.173000
! to proton shift 4.339000
! from heavyatom shift 26.937000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 557
! 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 39 and resn ile and name hg11) (resid 39 and resn ile and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC568
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 15300.000000
! from proton shift 1.260000
! to proton shift 2.143000
! from heavyatom shift 24.024000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 568
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn LEU and name hd*) (resid 31 and resn LEU and name hb*) 4.150000 2.350000 2.350000 
    or (resid 9 and resn LEU and name hd*) (resid 73 and resn LEU and name hb*) 
    or (resid 9 and resn LEU and name hd*) (resid 76 and resn GLN and name hg*) 
 
! 
! peak name 3dC570
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 26900.000000
! from proton shift 0.633000
! to proton shift -0.075000
! from heavyatom shift 25.904000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 570
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ARG and name hg*) (resid 8 and resn VAL and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC571
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46900.000000
! from proton shift 1.319000
! to proton shift -0.070000
! from heavyatom shift 25.958000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 571
! 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 12 and resn ARG and name hg*) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC573
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61200.000000
! from proton shift 0.622000
! to proton shift 1.391000
! from heavyatom shift 25.952000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 573
! 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 12 and resn ARG and name hg*) (resid 11 and resn ala and name hb#) 3.650000 1.850000 1.850000 
    or (resid 12 and resn ARG and name hg*) (resid 12 and resn ARG and name hb*) 
 
! 
! peak name 3dC574
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44800.000000
! from proton shift 0.628000
! to proton shift 1.616000
! from heavyatom shift 25.949000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 574
! 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 12 and resn ARG and name hg*) (resid 12 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC576
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 30300.000000
! from proton shift 0.626000
! to proton shift 2.870000
! from heavyatom shift 25.963000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 576
! 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 12 and resn ARG and name hg*) (resid 12 and resn ARG and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC577
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66400.000000
! from proton shift 1.308000
! to proton shift 2.878000
! from heavyatom shift 25.956000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 577
! 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 12 and resn ARG and name hg*) (resid 12 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC578
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 23500.000000
! from proton shift 1.330000
! to proton shift 4.031000
! from heavyatom shift 25.835000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 578
! note degeneracy 84, 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 12 and resn ARG and name hg*) (resid 12 and resn arg and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC579
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18200.000000
! from proton shift 0.606000
! to proton shift 4.035000
! from heavyatom shift 26.101000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 579
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ARG and name hg*) (resid 12 and resn arg and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC580
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56800.000000
! from proton shift 1.283000
! to proton shift 3.669000
! from heavyatom shift 25.941000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 580
! 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 25 and resn LYS and name hg*) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC581
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 70100.000000
! from proton shift 1.290000
! to proton shift 1.882000
! from heavyatom shift 25.883000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 581
! note degeneracy 60, 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 25 and resn LYS and name hg*) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC582
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 393000.000000
! from proton shift 1.373000
! to proton shift 1.589000
! from heavyatom shift 26.178000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 582
! 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 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 LYS and name hg*) (resid 10 and resn LYS and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC584
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70400.000000
! from proton shift 0.828000
! to proton shift 2.086000
! from heavyatom shift 25.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 584
! note degeneracy 24, 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 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn LEU and name hd*) (resid 33 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
    or (resid 46 and resn LEU and name hd*) (resid 46 and resn LEU and name hb*) 
    or (resid 46 and resn LEU and name hd*) (resid 53 and resn LEU and name hb*) 
 
! 
! peak name 3dC585
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 107000.000000
! from proton shift 0.825000
! to proton shift 1.977000
! from heavyatom shift 25.840000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 585
! 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 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 46 and resn LEU and name hd*) (resid 30 and resn LYS and name hb*) 2.800000 1.000000 1.000000 
    or (resid 46 and resn LEU and name hd*) (resid 46 and resn leu and name hg) 
    or (resid 46 and resn LEU and name hd*) (resid 50 and resn LEU and name hb*) 
 
! 
! peak name 3dC586
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 0.825000
! to proton shift 3.910000
! from heavyatom shift 23.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 586
! note degeneracy 90, 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 77 and resn LEU and name hd*) (resid 47 and resn met and name ha) 2.800000 1.000000 1.000000 
    or (resid 77 and resn LEU and name hd*) (resid 77 and resn leu and name ha) 
 
! 
! peak name 3dC587
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41000.000000
! from proton shift 2.696000
! to proton shift 4.010000
! from heavyatom shift 34.710000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 587
! 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 44 and resn GLN and name hg*) (resid 44 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 44 and resn GLN and name hg*) (resid 45 and resn GLY and name ha*) 
 
! 
! peak name 3dC588
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 28400.000000
! from proton shift 2.975000
! to proton shift 4.305000
! from heavyatom shift 39.529000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 588
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ASP and name hb*) (resid 55 and resn asp and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC590
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61800.000000
! from proton shift 2.975000
! to proton shift 4.141000
! from heavyatom shift 39.601000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 590
! note degeneracy 116, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn ASP and name hb*) (resid 52 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 55 and resn ASP and name hb*) (resid 53 and resn leu and name ha) 
    or (resid 30 and resn LYS and name he*) (resid 30 and resn lys and name ha) 
 
! 
! peak name 3dC594
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69300.000000
! from proton shift 3.116000
! to proton shift 3.480000
! from heavyatom shift 38.540000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 594
! 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 57 and resn TYR and name hb*) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC595
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 50900.000000
! from proton shift 3.128000
! to proton shift 0.198000
! from heavyatom shift 38.580000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 595
! 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
! note degeneracy 1, 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 hb*) (resid 27 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 57 and resn TYR and name hb*) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC596
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 91100.000000
! from proton shift 2.134000
! to proton shift 3.671000
! from heavyatom shift 37.222000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 596
! 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 78 and resn GLU and name hg*) (resid 78 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC597
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49900.000000
! from proton shift 2.347000
! to proton shift 3.822000
! from heavyatom shift 37.083000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 597
! 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 7 and resn GLU and name hg*) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC599
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 167000.000000
! from proton shift 2.344000
! to proton shift 1.978000
! from heavyatom shift 36.898000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 599
! note degeneracy 87, 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 7 and resn GLU and name hg*) (resid 7 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC6
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13900.000000
! from proton shift 0.748000
! to proton shift 4.089000
! from heavyatom shift 12.650000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 6
! note degeneracy 60, 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 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 20 and resn ile and name hd*) (resid 20 and resn ile and name ha) 4.150000 2.350000 2.350000 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name ha) 
 
! 
! peak name 3dC600
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 2.346000
! to proton shift 1.882000
! from heavyatom shift 36.963000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 600
! note degeneracy 90, 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 7 and resn GLU and name hg*) (resid 7 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC601
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 191000.000000
! from proton shift 2.231000
! to proton shift 1.886000
! from heavyatom shift 36.761000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 601
! note degeneracy 90, 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 7 and resn GLU and name hg*) (resid 7 and resn GLU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC603
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67300.000000
! from proton shift 2.099000
! to proton shift 4.167000
! from heavyatom shift 36.389000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 603
! note degeneracy 140, 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 84 and resn GLU and name hg*) (resid 84 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC604
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64900.000000
! from proton shift 2.103000
! to proton shift 4.012000
! from heavyatom shift 36.030000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 604
! note degeneracy 110, 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 72 and resn GLU and name hg*) (resid 72 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC605
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62700.000000
! from proton shift 1.985000
! to proton shift 4.015000
! from heavyatom shift 36.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 605
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 72 and resn GLU and name hg*) (resid 72 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC608
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68500.000000
! from proton shift 1.464000
! to proton shift 4.145000
! from heavyatom shift 42.259000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 608
! note degeneracy 112, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LEU and name hb*) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 53 and resn LEU and name hb*) (resid 52 and resn glu and name ha) 
    or (resid 53 and resn LEU and name hb*) (resid 53 and resn leu and name ha) 
 
! 
! peak name 3dC612
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 27100.000000
! from proton shift 1.450000
! to proton shift 0.660000
! from heavyatom shift 42.144000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 612
! 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 53 and resn LEU and name hb*) (resid 27 and resn ile and name hg2#) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC613
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 28100.000000
! from proton shift 1.464000
! to proton shift 0.196000
! from heavyatom shift 42.219000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 613
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn LEU and name hb*) (resid 27 and resn ile and name hd*) 4.150000 2.350000 2.350000 
    or (resid 53 and resn LEU and name hb*) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC617
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 1.442000
! to proton shift 0.869000
! from heavyatom shift 43.657000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 617
! 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 81 and resn LEU and name hb*) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC618
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 91800.000000
! from proton shift 1.441000
! to proton shift 0.408000
! from heavyatom shift 43.667000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 618
! 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 81 and resn LEU and name hb*) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC619
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 3.132000
! to proton shift 1.711000
! from heavyatom shift 42.209000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 619
! note degeneracy 63, 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 18 and resn LYS and name he*) (resid 18 and resn LYS and name hd*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC620
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 196000.000000
! from proton shift 3.143000
! to proton shift 1.595000
! from heavyatom shift 42.205000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 620
! 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 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 18 and resn LYS and name he*) (resid 18 and resn LYS and name hg*) 2.250000 0.450000 0.450000 
    or (resid 18 and resn LYS and name he*) (resid 18 and resn LYS and name hg*) 
 
! 
! peak name 3dC621
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56300.000000
! from proton shift 2.150000
! to proton shift 3.535000
! from heavyatom shift 41.635000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 621
! 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 73 and resn LEU and name hb*) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC623
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47600.000000
! from proton shift 2.145000
! to proton shift 0.699000
! from heavyatom shift 41.525000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 623
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn LEU and name hb*) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 77 and resn LEU and name hb*) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC624
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 147000.000000
! from proton shift 2.146000
! to proton shift 0.954000
! from heavyatom shift 41.491000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 624
! 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 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 73 and resn LEU and name hb*) (resid 54 and resn ile and name hg2#) 2.800000 1.000000 1.000000 
    or (resid 73 and resn LEU and name hb*) (resid 73 and resn leu and name hg) 
 
! 
! peak name 3dC625
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 84100.000000
! from proton shift 2.154000
! to proton shift 1.065000
! from heavyatom shift 41.562000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 625
! 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 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 73 and resn LEU and name hb*) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC627
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 115000.000000
! from proton shift 2.148000
! to proton shift 1.427000
! from heavyatom shift 41.562000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 627
! note degeneracy 63, 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 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 73 and resn LEU and name hb*) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC628
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70700.000000
! from proton shift 2.159000
! to proton shift 1.978000
! from heavyatom shift 41.577000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 628
! note degeneracy 87, 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 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 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 73 and resn LEU and name hb*) (resid 74 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 77 and resn LEU and name hb*) (resid 50 and resn LEU and name hb*) 
    or (resid 77 and resn LEU and name hb*) (resid 74 and resn ARG and name hb*) 
    or (resid 77 and resn LEU and name hb*) (resid 78 and resn GLU and name hb*) 
 
! 
! peak name 3dC629
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 112000.000000
! from proton shift 1.693000
! to proton shift 4.173000
! from heavyatom shift 42.120000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 629
! note degeneracy 72, 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 56 and resn LEU and name hb*) (resid 56 and resn leu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC631
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 206000.000000
! from proton shift 1.746000
! to proton shift 0.901000
! from heavyatom shift 41.485000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 631
! note degeneracy 63, 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 40 and resn LEU and name hb*) (resid 40 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC632
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 58300.000000
! from proton shift 1.893000
! to proton shift 3.849000
! from heavyatom shift 41.632000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 632
! 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 67 and resn LEU and name hb*) (resid 67 and resn leu and name ha) 3.400000 1.600000 1.600000 

! 
! peak name 3dC634
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 2.535000
! to proton shift 2.346000
! from heavyatom shift 37.135000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 634
! note degeneracy 36, 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 78 and resn GLU and name hg*) (resid 78 and resn GLU and name hb*) 2.550000 0.750000 0.750000 

! 
! peak name 3dC636
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 68300.000000
! from proton shift 2.534000
! to proton shift 1.905000
! from heavyatom shift 37.282000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 636
! note degeneracy 68, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn GLU and name hg*) (resid 51 and resn MET and name hg*) 3.400000 1.600000 1.600000 
    or (resid 78 and resn GLU and name hg*) (resid 51 and resn MET and name hg*) 
 
! 
! peak name 3dC637
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34900.000000
! from proton shift 1.428000
! to proton shift 2.716000
! from heavyatom shift 25.115000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 637
! note degeneracy 44, 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 30 and resn LYS and name hg*) (resid 30 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC638
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 387000.000000
! from proton shift 1.608000
! to proton shift 1.867000
! from heavyatom shift 25.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 638
! note degeneracy 140, 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 30 and resn LYS and name hg*) (resid 30 and resn LYS and name hb*) 2.250000 0.450000 0.450000 
    or (resid 30 and resn LYS and name hg*) (resid 30 and resn LYS and name hd*) 
 
! 
! peak name 3dC639
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 1.454000
! to proton shift 1.869000
! from heavyatom shift 25.266000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 639
! note degeneracy 116, 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 79 and resn LYS and name hg*) (resid 79 and resn LYS and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC640
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 35000.000000
! from proton shift 1.607000
! to proton shift 0.774000
! from heavyatom shift 25.108000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 640
! 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 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 LYS and name hg*) (resid 34 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC643
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 1.697000
! to proton shift 4.109000
! from heavyatom shift 27.862000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 643
! note degeneracy 168, 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 0, with previousLikelihood range 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 ARG and name hg*) (resid 33 and resn arg and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC645
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39600.000000
! from proton shift 1.868000
! to proton shift 2.712000
! from heavyatom shift 27.757000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 645
! note degeneracy 44, 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 30 and resn LYS and name hd*) (resid 30 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC648
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 44800.000000
! from proton shift 2.276000
! to proton shift 0.877000
! from heavyatom shift 28.181000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 648
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn GLN and name hb*) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC650
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 180000.000000
! from proton shift 2.278000
! to proton shift 4.024000
! from heavyatom shift 28.323000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 650
! note degeneracy 81, 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 44 and resn GLN and name hb*) (resid 44 and resn gln and name ha) 2.250000 0.450000 0.450000 
    or (resid 32 and resn GLN and name hb*) (resid 32 and resn gln and name ha) 
 
! 
! peak name 3dC651
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45800.000000
! from proton shift 2.486000
! to proton shift 3.541000
! from heavyatom shift 27.842000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 651
! 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 76 and resn GLN and name hb*) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC653
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62300.000000
! from proton shift 2.332000
! to proton shift 3.399000
! from heavyatom shift 28.227000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 653
! 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 6 and resn PRO and name hg*) (resid 6 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC654
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 48400.000000
! from proton shift 2.043000
! to proton shift 4.115000
! from heavyatom shift 31.755000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 654
! note degeneracy 52, 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 6 and resn PRO and name hb*) (resid 6 and resn pro and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC655
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47800.000000
! from proton shift 2.098000
! to proton shift 3.404000
! from heavyatom shift 38.217000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 655
! 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 34 and resn ile and name hb) (resid 34 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC656
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 190000.000000
! from proton shift 2.465000
! to proton shift 4.240000
! from heavyatom shift 36.938000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 656
! note degeneracy 64, 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 65 and resn GLU and name hg*) (resid 65 and resn glu and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC657
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 137000.000000
! from proton shift 1.979000
! to proton shift 4.096000
! from heavyatom shift 29.826000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 657
! note degeneracy 196, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 65, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 65, with previousLikelihood range 0.900000  .. 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 78 and resn GLU and name hb*) (resid 75 and resn thr and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC660
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73200.000000
! from proton shift 2.356000
! to proton shift 3.669000
! from heavyatom shift 29.654000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 660
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 GLU and name hb*) (resid 78 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC661
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 96800.000000
! from proton shift 1.891000
! to proton shift 1.437000
! from heavyatom shift 30.415000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 661
! note degeneracy 132, 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 30 and resn LYS and name hb*) (resid 30 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC662
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 178000.000000
! from proton shift 1.903000
! to proton shift 4.109000
! from heavyatom shift 30.603000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 662
! note degeneracy 196, 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 26 and resn ARG and name hb*) (resid 26 and resn arg and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC664
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25300.000000
! from proton shift 1.899000
! to proton shift 3.466000
! from heavyatom shift 30.563000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 664
! note degeneracy 63, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn ARG and name hb*) (resid 27 and resn ile and name ha) 3.900000 2.100000 2.100000 
    or (resid 30 and resn LYS and name hb*) (resid 27 and resn ile and name ha) 
 
! 
! peak name 3dC666
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63900.000000
! from proton shift 1.895000
! to proton shift 3.808000
! from heavyatom shift 30.990000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 666
! 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 43 and resn ARG and name hb*) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC667
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 94400.000000
! from proton shift 2.078000
! to proton shift 3.809000
! from heavyatom shift 30.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 667
! 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 43 and resn ARG and name hb*) (resid 43 and resn arg and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC668
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 38800.000000
! from proton shift 2.090000
! to proton shift 3.186000
! from heavyatom shift 31.046000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 668
! 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 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 43 and resn ARG and name hb*) (resid 33 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC669
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38400.000000
! from proton shift 1.893000
! to proton shift 3.958000
! from heavyatom shift 30.921000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 669
! note degeneracy 100, 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 43 and resn ARG and name hb*) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC670
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37000.000000
! from proton shift 2.087000
! to proton shift 3.963000
! from heavyatom shift 31.042000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 670
! 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 0, with previousLikelihood range 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 ARG and name hb*) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC671
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68600.000000
! from proton shift 1.902000
! to proton shift 0.819000
! from heavyatom shift 30.570000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 671
! note degeneracy 105, 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 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 30 and resn LYS and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 30 and resn LYS and name hb*) (resid 77 and resn LEU and name hd*) 
 
! 
! peak name 3dC673
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 72400.000000
! from proton shift 3.140000
! to proton shift 1.066000
! from heavyatom shift 30.484000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 673
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn TRP and name hb*) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC674
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 50000.000000
! from proton shift 3.339000
! to proton shift 1.064000
! from heavyatom shift 30.492000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 674
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn TRP and name hb*) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC675
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34200.000000
! from proton shift 3.359000
! to proton shift 0.953000
! from heavyatom shift 30.569000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 675
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 TRP and name hb*) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC676
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37200.000000
! from proton shift 3.133000
! to proton shift 0.953000
! from heavyatom shift 30.603000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 676
! note degeneracy 38, 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 TRP and name hb*) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC677
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31700.000000
! from proton shift 3.339000
! to proton shift -0.070000
! from heavyatom shift 30.537000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 677
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 TRP and name hb*) (resid 8 and resn VAL and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC679
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 21500.000000
! from proton shift 3.143000
! to proton shift 1.706000
! from heavyatom shift 30.599000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 679
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn TRP and name hb*) (resid 8 and resn val and name hb) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC68
! bounds 2.700000 1.800000
! likelihood 0.910000
! intensity 265000.000000
! from proton shift 1.416000
! to proton shift 1.908000
! from heavyatom shift 18.301000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 68
! note degeneracy 136, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 60, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 60, with previousLikelihood range 0.900000  .. 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 80 and resn ala and name hb#) (resid 39 and resn ile and name hg2#) 2.750000 0.950000 0.950000 
 
! 
! peak name 3dC682
! bounds 6.000000 1.800000
! likelihood 0.900000
! intensity 12800.000000
! from proton shift 3.272000
! to proton shift 4.136000
! from heavyatom shift 31.044000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 682
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn HIS and name hb*) (resid 6 and resn pro and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC683
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 40400.000000
! from proton shift 3.089000
! to proton shift 4.095000
! from heavyatom shift 41.695000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 683
! note degeneracy 90, 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 10 and resn LYS and name he*) (resid 10 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC688
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 53600.000000
! from proton shift 3.091000
! to proton shift 1.418000
! from heavyatom shift 41.756000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 688
! note degeneracy 63, 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 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 10 and resn LYS and name he*) (resid 28 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC69
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 588000.000000
! from proton shift 1.417000
! to proton shift 4.108000
! from heavyatom shift 18.286000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 69
! note degeneracy 116, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 52, with previousLikelihood range 0.900000  .. 2.000000
! 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 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 hb#) (resid 80 and resn ala and name ha) 2.500000 0.700000 0.700000 
    or (resid 11 and resn ala and name hb#) (resid 11 and resn ala and name ha) 
    or (resid 11 and resn ala and name hb#) (resid 11 and resn ala and name ha) 
 
! 
! peak name 3dC690
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38900.000000
! from proton shift 3.741000
! to proton shift 1.597000
! from heavyatom shift 51.278000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 690
! 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 19 and resn PRO and name hd*) (resid 18 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC691
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52600.000000
! from proton shift 3.745000
! to proton shift 1.823000
! from heavyatom shift 51.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 691
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 PRO and name hd*) (resid 19 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC693
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 91300.000000
! from proton shift 4.028000
! to proton shift 2.468000
! from heavyatom shift 59.849000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 693
! note degeneracy 80, 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 44 and resn gln and name ha) (resid 47 and resn MET and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC694
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 122000.000000
! from proton shift 4.023000
! to proton shift 2.391000
! from heavyatom shift 59.893000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 694
! note degeneracy 108, 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 22 and resn glu and name ha) (resid 22 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC695
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 148000.000000
! from proton shift 4.014000
! to proton shift 1.644000
! from heavyatom shift 59.825000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 695
! note degeneracy 120, 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 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 22 and resn glu and name ha) (resid 22 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC698
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62300.000000
! from proton shift 4.919000
! to proton shift 3.125000
! from heavyatom shift 55.872000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 698
! 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 4 and resn trp and name ha) (resid 4 and resn TRP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC699
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82000.000000
! from proton shift 4.925000
! to proton shift 3.331000
! from heavyatom shift 55.940000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 699
! 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 4 and resn trp and name ha) (resid 4 and resn TRP and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC7
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 15700.000000
! from proton shift 0.737000
! to proton shift 2.758000
! from heavyatom shift 12.605000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 7
! 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 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 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn ile and name hd*) (resid 10 and resn LYS and name he*) 4.150000 2.350000 2.350000 
    or (resid 20 and resn ile and name hd*) (resid 25 and resn LYS and name he*) 
    or (resid 20 and resn ile and name hd*) (resid 10 and resn LYS and name he*) 
    or (resid 20 and resn ile and name hd*) (resid 25 and resn LYS and name he*) 
 
! 
! peak name 3dC70
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 1.430000
! to proton shift 3.911000
! from heavyatom shift 18.328000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 70
! note degeneracy 72, 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 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 80 and resn ala and name hb#) (resid 77 and resn leu and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC701
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18000.000000
! from proton shift 4.926000
! to proton shift 0.979000
! from heavyatom shift 56.011000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 701
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn trp and name ha) (resid 3 and resn VAL and name hg*) 4.150000 2.350000 2.350000 
    or (resid 4 and resn trp and name ha) (resid 5 and resn thr and name hg1) 
 
! 
! peak name 3dC702
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 33100.000000
! from proton shift 4.925000
! to proton shift 0.845000
! from heavyatom shift 55.851000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 702
! 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 4 and resn trp and name ha) (resid 8 and resn VAL and name hg*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC704
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 355000.000000
! from proton shift 3.777000
! to proton shift 1.237000
! from heavyatom shift 58.397000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 704
! 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 9 and resn leu and name ha) (resid 9 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC705
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 220000.000000
! from proton shift 3.836000
! to proton shift 1.493000
! from heavyatom shift 58.334000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 705
! note degeneracy 100, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 67 and resn leu and name ha) (resid 67 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC709
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 60200.000000
! from proton shift 4.960000
! to proton shift 2.008000
! from heavyatom shift 52.887000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 709
! 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 18 and resn lys and name ha) (resid 19 and resn PRO and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC710
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 99200.000000
! from proton shift 4.960000
! to proton shift 1.911000
! from heavyatom shift 52.911000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 710
! note degeneracy 72, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn lys and name ha) (resid 18 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC711
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 154000.000000
! from proton shift 4.956000
! to proton shift 1.602000
! from heavyatom shift 52.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 711
! note degeneracy 44, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn lys and name ha) (resid 18 and resn LYS and name hg*) 2.550000 0.750000 0.750000 
    or (resid 18 and resn lys and name ha) (resid 18 and resn LYS and name hb*) 
 
! 
! peak name 3dC714
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47800.000000
! from proton shift 4.095000
! to proton shift 1.576000
! from heavyatom shift 59.103000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 714
! note degeneracy 230, 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 10 and resn lys and name ha) (resid 10 and resn LYS and name hd*) 3.400000 1.600000 1.600000 
    or (resid 10 and resn lys and name ha) (resid 10 and resn LYS and name hg*) 
 
! 
! peak name 3dC715
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 4.143000
! to proton shift 2.414000
! from heavyatom shift 59.355000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 715
! note degeneracy 105, 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 52 and resn glu and name ha) (resid 52 and resn GLU and name hg*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC717
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 246000.000000
! from proton shift 1.876000
! to proton shift 4.087000
! from heavyatom shift 32.158000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 717
! note degeneracy 180, 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 79 and resn LYS and name hb*) (resid 79 and resn lys and name ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC718
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66500.000000
! from proton shift 2.341000
! to proton shift 3.868000
! from heavyatom shift 28.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 718
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 PRO and name hg*) (resid 6 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC72
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44600.000000
! from proton shift 1.285000
! to proton shift 1.646000
! from heavyatom shift 18.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 72
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn ala and name hb#) (resid 12 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC721
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55900.000000
! from proton shift 1.742000
! to proton shift 3.401000
! from heavyatom shift 28.127000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 721
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 6 and resn PRO and name hg*) (resid 6 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC723
! bounds 6.000000 1.800000
! likelihood 0.960000
! intensity 22400.000000
! from proton shift 1.649000
! to proton shift 4.155000
! from heavyatom shift 26.382000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 723
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn LYS and name hg*) (resid 17 and resn GLY and name ha*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC724
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35000.000000
! from proton shift 1.642000
! to proton shift 2.760000
! from heavyatom shift 26.233000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 724
! 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 10 and resn LYS and name hg*) (resid 10 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC726
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 393000.000000
! from proton shift 1.373000
! to proton shift 1.589000
! from heavyatom shift 26.178000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 726
! 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 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 LYS and name hg*) (resid 10 and resn LYS and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC727
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45800.000000
! from proton shift 1.379000
! to proton shift 0.875000
! from heavyatom shift 26.122000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 727
! 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 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 10 and resn LYS and name hg*) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC728
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 22200.000000
! from proton shift 1.654000
! to proton shift 0.341000
! from heavyatom shift 26.205000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 728
! 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
! 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 LYS and name hg*) (resid 28 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC733
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 21700.000000
! from proton shift 1.593000
! to proton shift 3.148000
! from heavyatom shift 24.972000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 733
! note degeneracy 56, 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 18 and resn LYS and name hg*) (resid 18 and resn LYS and name he*) 3.900000 2.100000 2.100000 
    or (resid 18 and resn LYS and name hg*) (resid 18 and resn LYS and name he*) 
 
! 
! peak name 3dC734
! bounds 6.000000 1.800000
! likelihood 0.930000
! intensity 22700.000000
! from proton shift 1.418000
! to proton shift 1.085000
! from heavyatom shift 25.308000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 734
! 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 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 LYS and name hg*) (resid 73 and resn LEU and name hd*) 4.150000 2.350000 2.350000 

! 
! peak name 3dC736
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76000.000000
! from proton shift 1.729000
! to proton shift 3.147000
! from heavyatom shift 29.168000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 736
! 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 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 18 and resn LYS and name hd*) (resid 18 and resn LYS and name he*) 2.550000 0.750000 0.750000 
    or (resid 18 and resn LYS and name hd*) (resid 18 and resn LYS and name he*) 
 
! 
! peak name 3dC737
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27600.000000
! from proton shift 1.731000
! to proton shift 2.993000
! from heavyatom shift 29.035000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 737
! 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 33 and resn ARG and name hb*) (resid 35 and resn HIS and name hb*) 3.900000 2.100000 2.100000 
    or (resid 33 and resn ARG and name hb*) (resid 36 and resn ASN and name hb*) 
 
! 
! peak name 3dC738
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 2.390000
! to proton shift 4.003000
! from heavyatom shift 36.039000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 738
! note degeneracy 132, 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 22 and resn GLU and name hg*) (resid 22 and resn glu and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC74
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61900.000000
! from proton shift 0.960000
! to proton shift 2.142000
! from heavyatom shift 27.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 74
! 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 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 73 and resn leu and name hg) (resid 73 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC742
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 955000.000000
! from proton shift 2.148000
! to proton shift 2.331000
! from heavyatom shift 29.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 742
! note degeneracy 96, 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 59 and resn GLU and name hb*) (resid 59 and resn GLU and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC743
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 27000.000000
! from proton shift 2.145000
! to proton shift 1.159000
! from heavyatom shift 29.882000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 743
! note degeneracy 77, 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 GLU and name hb*) (resid 67 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC744
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16300.000000
! from proton shift 2.349000
! to proton shift 1.164000
! from heavyatom shift 29.821000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 744
! note degeneracy 30, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn GLU and name hb*) (resid 67 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
    or (resid 58 and resn GLU and name hb*) (resid 67 and resn LEU and name hd*) 
    or (resid 58 and resn GLU and name hb*) (resid 67 and resn leu and name hg) 
 
! 
! peak name 3dC745
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54500.000000
! from proton shift 2.345000
! to proton shift 3.910000
! from heavyatom shift 29.762000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 745
! note degeneracy 72, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn GLU and name hb*) (resid 58 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 78 and resn GLU and name hb*) (resid 77 and resn leu and name ha) 
    or (resid 58 and resn GLU and name hb*) (resid 58 and resn glu and name ha) 
 
! 
! peak name 3dC749
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 90500.000000
! from proton shift 1.966000
! to proton shift 3.283000
! from heavyatom shift 27.932000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 749
! 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 ARG and name hg*) (resid 26 and resn ARG and name hd*) 2.550000 0.750000 0.750000 
    or (resid 33 and resn ARG and name hg*) (resid 33 and resn ARG and name hd*) 
 
! 
! peak name 3dC750
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 51300.000000
! from proton shift 1.693000
! to proton shift 2.716000
! from heavyatom shift 27.776000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 750
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn LYS and name hd*) (resid 30 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC752
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35400.000000
! from proton shift 1.551000
! to proton shift 3.668000
! from heavyatom shift 26.019000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 752
! 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 25 and resn LYS and name hg*) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC753
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 58300.000000
! from proton shift 0.890000
! to proton shift 2.277000
! from heavyatom shift 23.320000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 753
! note degeneracy 120, 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 81 and resn LEU and name hd*) (resid 44 and resn GLN and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC754
! bounds 3.300000 1.800000
! likelihood 0.940000
! intensity 90500.000000
! from proton shift 0.880000
! to proton shift 4.014000
! from heavyatom shift 23.400000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 754
! note degeneracy 132, 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 81 and resn LEU and name hd*) (resid 82 and resn GLY and name ha*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC759
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 424000.000000
! from proton shift 2.914000
! to proton shift 1.651000
! from heavyatom shift 41.892000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 759
! note degeneracy 84, 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 25 and resn LYS and name he*) (resid 25 and resn LYS and name hd*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC76
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 193000.000000
! from proton shift 1.758000
! to proton shift 0.513000
! from heavyatom shift 29.374000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 76
! 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 54 and resn ile and name hg11) (resid 54 and resn ile and name hg12) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC760
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13900.000000
! from proton shift 2.944000
! to proton shift 1.454000
! from heavyatom shift 41.990000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 760
! note degeneracy 92, 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 79 and resn LYS and name he*) (resid 79 and resn LYS and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC763
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 1.716000
! to proton shift 2.082000
! from heavyatom shift 27.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 763
! note degeneracy 144, 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 33 and resn ARG and name hg*) (resid 33 and resn ARG and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC764
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61600.000000
! from proton shift 1.919000
! to proton shift 3.945000
! from heavyatom shift 28.898000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 764
! note degeneracy 114, 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 61 and resn GLN and name hb*) (resid 60 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC765
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17300.000000
! from proton shift 1.919000
! to proton shift 3.527000
! from heavyatom shift 28.867000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 765
! 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 61 and resn GLN and name hb*) (resid 62 and resn PRO and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC768
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41800.000000
! from proton shift 1.459000
! to proton shift 2.927000
! from heavyatom shift 25.451000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 768
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 LYS and name hg*) (resid 79 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC769
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39800.000000
! from proton shift 1.580000
! to proton shift 2.914000
! from heavyatom shift 25.494000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 769
! 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 79 and resn LYS and name hg*) (resid 79 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC77
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 181000.000000
! from proton shift 1.757000
! to proton shift 0.697000
! from heavyatom shift 29.381000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 77
! 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 54 and resn ile and name hg11) (resid 54 and resn ile and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC770
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 97100.000000
! from proton shift 0.821000
! to proton shift 2.119000
! from heavyatom shift 23.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 770
! note degeneracy 125, 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 77 and resn LEU and name hd*) (resid 47 and resn MET and name hg*) 2.800000 1.000000 1.000000 
    or (resid 77 and resn LEU and name hd*) (resid 73 and resn LEU and name hb*) 
 
! 
! peak name 3dC771
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62000.000000
! from proton shift 0.819000
! to proton shift 1.202000
! from heavyatom shift 23.246000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 771
! 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 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 77 and resn LEU and name hd*) (resid 46 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 77 and resn LEU and name hd*) (resid 77 and resn LEU and name hb*) 
 
! 
! peak name 3dC772
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70700.000000
! from proton shift 2.117000
! to proton shift 2.463000
! from heavyatom shift 32.374000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 772
! 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 76 and resn GLN and name hg*) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC775
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 40500.000000
! from proton shift 3.932000
! to proton shift 3.172000
! from heavyatom shift 60.355000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 775
! 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 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 71 and resn arg and name ha) (resid 71 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
    or (resid 71 and resn arg and name ha) (resid 74 and resn ARG and name hd*) 
 
! 
! peak name 3dC776
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 241000.000000
! from proton shift 3.934000
! to proton shift 1.964000
! from heavyatom shift 60.296000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 776
! note degeneracy 128, 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 71 and resn arg and name ha) (resid 71 and resn ARG and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC778
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15400.000000
! from proton shift 1.982000
! to proton shift 3.521000
! from heavyatom shift 32.109000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 778
! note degeneracy 32, with previousLikelihood range 0.900000  .. 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 hb*) (resid 62 and resn PRO and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC779
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 121000.000000
! from proton shift 4.478000
! to proton shift 3.206000
! from heavyatom shift 58.308000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 779
! 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 70 and resn phe and name ha) (resid 70 and resn PHE and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC78
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24000.000000
! from proton shift 1.751000
! to proton shift 1.083000
! from heavyatom shift 29.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 78
! 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
! 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 hg11) (resid 73 and resn LEU and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC780
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 40000.000000
! from proton shift 4.469000
! to proton shift 1.415000
! from heavyatom shift 58.382000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 780
! note degeneracy 44, 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 70 and resn phe and name ha) (resid 69 and resn ala and name hb#) 3.650000 1.850000 1.850000 
    or (resid 70 and resn phe and name ha) (resid 73 and resn LEU and name hd*) 
 
! 
! peak name 3dC781
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55200.000000
! from proton shift 4.474000
! to proton shift 1.522000
! from heavyatom shift 58.249000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 781
! note degeneracy 46, 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 70 and resn phe and name ha) (resid 73 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC782
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 29000.000000
! from proton shift 4.469000
! to proton shift 0.700000
! from heavyatom shift 58.184000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 782
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 70 and resn phe and name ha) (resid 54 and resn ile and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC783
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 237000.000000
! from proton shift 4.504000
! to proton shift 3.838000
! from heavyatom shift 58.403000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 783
! 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 37 and resn ser and name ha) (resid 37 and resn SER and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC789
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 21700.000000
! from proton shift 0.884000
! to proton shift 1.199000
! from heavyatom shift 30.124000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 789
! 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 66 and resn ARG and name hb*) (resid 66 and resn ARG and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC79
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44000.000000
! from proton shift 1.763000
! to proton shift 3.480000
! from heavyatom shift 29.374000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 79
! 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 54 and resn ile and name hg11) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC791
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 26000.000000
! from proton shift 1.223000
! to proton shift 2.478000
! from heavyatom shift 28.573000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 791
! 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 66 and resn ARG and name hg*) (resid 66 and resn ARG and name hd*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC793
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 63600.000000
! from proton shift 1.649000
! to proton shift 3.181000
! from heavyatom shift 28.747000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 793
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn ARG and name hg*) (resid 33 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC794
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 57900.000000
! from proton shift 1.654000
! to proton shift 3.275000
! from heavyatom shift 28.612000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 794
! note degeneracy 54, 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 26 and resn ARG and name hg*) (resid 26 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
    or (resid 43 and resn ARG and name hg*) (resid 33 and resn ARG and name hd*) 
 
! 
! peak name 3dC795
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 33400.000000
! from proton shift 1.642000
! to proton shift 3.738000
! from heavyatom shift 28.752000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 795
! 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 43 and resn ARG and name hg*) (resid 37 and resn SER and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC796
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52900.000000
! from proton shift 1.657000
! to proton shift 3.813000
! from heavyatom shift 28.781000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 796
! note degeneracy 44, 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 43 and resn ARG and name hg*) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC797
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 217000.000000
! from proton shift 2.281000
! to proton shift 4.132000
! from heavyatom shift 36.413000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 797
! note degeneracy 145, 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 ha) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC798
! bounds 3.300000 1.800000
! likelihood 0.910000
! intensity 127000.000000
! from proton shift 4.311000
! to proton shift 2.338000
! from heavyatom shift 57.919000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 798
! 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 55 and resn asp and name ha) (resid 58 and resn GLU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC799
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 4.317000
! to proton shift 2.650000
! from heavyatom shift 57.983000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 799
! 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 55 and resn asp and name ha) (resid 55 and resn ASP and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC8
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 0.742000
! to proton shift 1.850000
! from heavyatom shift 12.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 8
! note degeneracy 62, 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 ile and name hd*) (resid 20 and resn ile and name hb) 2.800000 1.000000 1.000000 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hb) 
 
! 
! peak name 3dC80
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29100.000000
! from proton shift 0.521000
! to proton shift 3.482000
! from heavyatom shift 29.323000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 80
! 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 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 hg12) (resid 27 and resn ile and name ha) 3.900000 2.100000 2.100000 
    or (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name ha) 
 
! 
! peak name 3dC803
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56000.000000
! from proton shift 2.440000
! to proton shift 4.141000
! from heavyatom shift 36.331000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 803
! note degeneracy 145, 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn GLU and name hg*) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 52 and resn GLU and name hg*) (resid 52 and resn glu and name ha) 
    or (resid 49 and resn GLU and name hg*) (resid 46 and resn leu and name ha) 
    or (resid 49 and resn GLU and name hg*) (resid 49 and resn glu and name ha) 
 
! 
! peak name 3dC805
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33600.000000
! from proton shift 2.444000
! to proton shift 0.926000
! from heavyatom shift 36.406000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 805
! note degeneracy 115, with previousLikelihood range 0.900000  .. 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 GLU and name hg*) (resid 56 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC806
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47700.000000
! from proton shift 2.677000
! to proton shift 3.677000
! from heavyatom shift 32.896000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 806
! 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 51 and resn MET and name hb*) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC807
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43200.000000
! from proton shift 2.692000
! to proton shift 1.905000
! from heavyatom shift 32.998000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 807
! note degeneracy 34, 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 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 51 and resn MET and name hb*) (resid 52 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 51 and resn MET and name hb*) (resid 51 and resn MET and name hg*) 
    or (resid 51 and resn MET and name hb*) (resid 51 and resn MET and name hg*) 
 
! 
! peak name 3dC808
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 210000.000000
! from proton shift 2.238000
! to proton shift 1.906000
! from heavyatom shift 32.987000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 808
! note degeneracy 34, 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 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 51 and resn MET and name hb*) (resid 51 and resn MET and name hg*) 2.250000 0.450000 0.450000 
    or (resid 51 and resn MET and name hb*) (resid 51 and resn MET and name hg*) 
 
! 
! peak name 3dC81
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 21200.000000
! from proton shift 0.534000
! to proton shift 1.882000
! from heavyatom shift 29.318000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 81
! 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 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 hg12) (resid 74 and resn ARG and name hg*) 3.900000 2.100000 2.100000 
    or (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name hb) 
 
! 
! peak name 3dC811
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 206000.000000
! from proton shift 4.381000
! to proton shift 2.641000
! from heavyatom shift 57.438000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 811
! 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 41 and resn asp and name ha) (resid 41 and resn ASP and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC812
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 47600.000000
! from proton shift 4.376000
! to proton shift 2.064000
! from heavyatom shift 57.531000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 812
! note degeneracy 108, 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 41 and resn asp and name ha) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC816
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 121000.000000
! from proton shift 1.513000
! to proton shift 1.268000
! from heavyatom shift 18.295000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 816
! 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 29 and resn ala and name hb#) (resid 25 and resn LYS and name hg*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC817
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 357000.000000
! from proton shift 4.160000
! to proton shift 1.876000
! from heavyatom shift 57.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 817
! note degeneracy 240, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 48, with previousLikelihood range 0.900000  .. 2.000000
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn lys and name ha) (resid 30 and resn LYS and name hb*) 2.250000 0.450000 0.450000 
    or (resid 53 and resn leu and name ha) (resid 56 and resn LEU and name hb*) 
    or (resid 56 and resn leu and name ha) (resid 56 and resn LEU and name hb*) 
 
! 
! peak name 3dC819
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 324000.000000
! from proton shift 4.207000
! to proton shift 1.155000
! from heavyatom shift 57.464000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 819
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 leu and name ha) (resid 31 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC82
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12500.000000
! from proton shift 0.520000
! to proton shift 0.196000
! from heavyatom shift 29.480000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 82
! 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
! 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 hg12) (resid 27 and resn ile and name hd*) 4.150000 2.350000 2.350000 
    or (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC821
! bounds 6.000000 1.800000
! likelihood 0.960000
! intensity 20000.000000
! from proton shift 0.956000
! to proton shift 2.325000
! from heavyatom shift 26.812000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 821
! note degeneracy 17, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn leu and name hg) (resid 6 and resn PRO and name hb*) 3.900000 2.100000 2.100000 
    or (resid 31 and resn leu and name hg) (resid 6 and resn PRO and name hg*) 
 
! 
! peak name 3dC822
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82200.000000
! from proton shift 0.962000
! to proton shift 1.637000
! from heavyatom shift 26.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 822
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn leu and name hg) (resid 31 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC823
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 57100.000000
! from proton shift 0.966000
! to proton shift 1.566000
! from heavyatom shift 26.818000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 823
! 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 31 and resn leu and name hg) (resid 31 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC826
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 63400.000000
! from proton shift 0.801000
! to proton shift 2.228000
! from heavyatom shift 27.009000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 826
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 leu and name hg) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC828
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37200.000000
! from proton shift 1.560000
! to proton shift 3.959000
! from heavyatom shift 27.203000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 828
! 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 40 and resn leu and name hg) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC829
! bounds 6.000000 1.800000
! likelihood 0.920000
! intensity 21900.000000
! from proton shift 1.557000
! to proton shift 2.680000
! from heavyatom shift 27.036000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 829
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 40 and resn leu and name hg) (resid 44 and resn GLN and name hg*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC83
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17200.000000
! from proton shift 1.770000
! to proton shift 0.202000
! from heavyatom shift 29.316000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 83
! 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 54 and resn ile and name hg11) (resid 27 and resn ile and name hd*) 4.150000 2.350000 2.350000 
    or (resid 54 and resn ile and name hg11) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC830
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 10200.000000
! from proton shift 1.571000
! to proton shift 2.277000
! from heavyatom shift 27.165000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 830
! 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 40 and resn leu and name hg) (resid 42 and resn GLU and name hb*) 3.900000 2.100000 2.100000 
    or (resid 40 and resn leu and name hg) (resid 44 and resn GLN and name hb*) 
 
! 
! peak name 3dC831
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 249000.000000
! from proton shift 1.569000
! to proton shift 1.749000
! from heavyatom shift 27.078000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 831
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 40 and resn leu and name hg) (resid 40 and resn LEU and name hb*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC834
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37100.000000
! from proton shift 1.835000
! to proton shift 3.728000
! from heavyatom shift 32.578000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 834
! 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 19 and resn PRO and name hb*) (resid 19 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC835
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 39400.000000
! from proton shift 0.995000
! to proton shift 1.786000
! from heavyatom shift 21.809000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 835
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 3 and resn VAL and name hg*) (resid 47 and resn MET and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC837
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 268000.000000
! from proton shift 3.741000
! to proton shift 2.012000
! from heavyatom shift 51.253000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 837
! 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 19 and resn PRO and name hd*) (resid 19 and resn PRO and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC84
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34100.000000
! from proton shift 0.504000
! to proton shift 0.951000
! from heavyatom shift 29.452000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 84
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 54 and resn ile and name hg12) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name hg2#) 
 
! 
! peak name 3dC841
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 26000.000000
! from proton shift 0.901000
! to proton shift 1.880000
! from heavyatom shift 28.797000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 841
! 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 0, with previousLikelihood range 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 50 and resn leu and name hg) (resid 30 and resn LYS and name hb*) 3.900000 2.100000 2.100000 
    or (resid 50 and resn leu and name hg) (resid 30 and resn LYS and name hd*) 
 
! 
! peak name 3dC844
! bounds 6.000000 1.800000
! likelihood 0.920000
! intensity 31300.000000
! from proton shift 1.426000
! to proton shift 2.269000
! from heavyatom shift 18.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 844
! note degeneracy 72, 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 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 44 and resn GLN and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC845
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35200.000000
! from proton shift 1.428000
! to proton shift 2.212000
! from heavyatom shift 18.363000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 845
! 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 0, with previousLikelihood range 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 69 and resn ala and name hb#) (resid 71 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC848
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 251000.000000
! from proton shift 0.885000
! to proton shift 1.912000
! from heavyatom shift 21.457000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 848
! note degeneracy 36, 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 15 and resn VAL and name hg*) (resid 15 and resn val and name hb) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC849
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29700.000000
! from proton shift 0.924000
! to proton shift 0.197000
! from heavyatom shift 22.339000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 849
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn LEU and name hd*) (resid 27 and resn ile and name hd*) 4.400000 2.600000 2.600000 
    or (resid 46 and resn LEU and name hd*) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dC85
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 0.522000
! to proton shift 0.696000
! from heavyatom shift 29.375000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 85
! 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 hg12) (resid 54 and resn ile and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC852
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16200.000000
! from proton shift 0.813000
! to proton shift 3.127000
! from heavyatom shift 23.376000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 852
! note degeneracy 65, 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 77 and resn LEU and name hd*) (resid 47 and resn MET and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC854
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37200.000000
! from proton shift 1.218000
! to proton shift 1.897000
! from heavyatom shift 44.083000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 854
! note degeneracy 32, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 46 and resn LEU and name hb*) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC856
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 306000.000000
! from proton shift 1.545000
! to proton shift 0.851000
! from heavyatom shift 43.111000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 856
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 hb*) (resid 83 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC857
! bounds 6.000000 1.800000
! likelihood 0.950000
! intensity 15600.000000
! from proton shift 1.569000
! to proton shift 0.777000
! from heavyatom shift 42.932000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 857
! 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 31 and resn LEU and name hb*) (resid 34 and resn ile and name hg11) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC858
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17100.000000
! from proton shift 1.539000
! to proton shift 1.967000
! from heavyatom shift 43.124000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 858
! note degeneracy 64, 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 83 and resn LEU and name hb*) (resid 84 and resn GLU and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC859
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67200.000000
! from proton shift 2.132000
! to proton shift 1.152000
! from heavyatom shift 42.790000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 859
! 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 1, with previousLikelihood range 0.900000  .. 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 31 and resn LEU and name hb*) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 31 and resn LEU and name hb*) (resid 31 and resn LEU and name hd*) 
    or (resid 31 and resn LEU and name hb*) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dC860
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 96700.000000
! from proton shift 2.131000
! to proton shift 0.949000
! from heavyatom shift 42.693000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 860
! note degeneracy 38, 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 31 and resn LEU and name hb*) (resid 31 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC861
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35700.000000
! from proton shift 2.123000
! to proton shift 0.889000
! from heavyatom shift 42.850000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 861
! note degeneracy 40, 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 31 and resn LEU and name hb*) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 31 and resn LEU and name hb*) (resid 34 and resn ile and name hg2#) 
 
! 
! peak name 3dC863
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 2.138000
! to proton shift 1.632000
! from heavyatom shift 42.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 863
! note degeneracy 46, 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 31 and resn LEU and name hb*) (resid 31 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC865
! bounds 6.000000 1.800000
! likelihood 0.910000
! intensity 24500.000000
! from proton shift 2.128000
! to proton shift 2.310000
! from heavyatom shift 42.993000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 865
! 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 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 31 and resn LEU and name hb*) (resid 6 and resn PRO and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC870
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 2.512000
! to proton shift 0.853000
! from heavyatom shift 43.021000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 870
! 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 83 and resn LEU and name hb*) (resid 83 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC871
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 139000.000000
! from proton shift 3.276000
! to proton shift 2.079000
! from heavyatom shift 43.733000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 871
! note degeneracy 72, 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 26 and resn ARG and name hd*) (resid 26 and resn ARG and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC872
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 75400.000000
! from proton shift 3.198000
! to proton shift 2.070000
! from heavyatom shift 43.838000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 872
! note degeneracy 116, 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 33 and resn ARG and name hd*) (resid 33 and resn ARG and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC874
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 232000.000000
! from proton shift 3.256000
! to proton shift 1.963000
! from heavyatom shift 43.648000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 874
! note degeneracy 128, 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 33 and resn ARG and name hd*) (resid 33 and resn ARG and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC875
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 182000.000000
! from proton shift 1.884000
! to proton shift 0.931000
! from heavyatom shift 42.173000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 875
! 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 56 and resn LEU and name hb*) (resid 56 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC876
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 187000.000000
! from proton shift 1.694000
! to proton shift 0.926000
! from heavyatom shift 42.116000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 876
! note degeneracy 69, with previousLikelihood range 0.900000  .. 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 LEU and name hb*) (resid 56 and resn LEU and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC880
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 60200.000000
! from proton shift 2.093000
! to proton shift 0.927000
! from heavyatom shift 42.345000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 880
! note degeneracy 69, with previousLikelihood range 0.900000  .. 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 53 and resn LEU and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 53 and resn LEU and name hb*) (resid 56 and resn LEU and name hd*) 
 
! 
! peak name 3dC882
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 25500.000000
! from proton shift 2.093000
! to proton shift 0.655000
! from heavyatom shift 42.224000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 882
! 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
! 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 LEU and name hb*) (resid 27 and resn ile and name hg2#) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC892
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83600.000000
! from proton shift 1.458000
! to proton shift 1.032000
! from heavyatom shift 41.101000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 892
! 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 9 and resn LEU and name hb*) (resid 9 and resn leu and name hg) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC893
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 240000.000000
! from proton shift 0.907000
! to proton shift 1.054000
! from heavyatom shift 12.593000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 893
! 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 39 and resn ile and name hd*) (resid 39 and resn ile and name hg12) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC894
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 0.741000
! to proton shift 1.701000
! from heavyatom shift 12.693000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 894
! note degeneracy 38, 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 20 and resn ile and name hd*) (resid 20 and resn ile and name hg11) 2.800000 1.000000 1.000000 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg11) 
 
! 
! peak name 3dC895
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14700.000000
! from proton shift 0.736000
! to proton shift 4.090000
! from heavyatom shift 12.578000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 895
! note degeneracy 60, 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 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 20 and resn ile and name hd*) (resid 20 and resn ile and name ha) 4.150000 2.350000 2.350000 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name ha) 
 
! 
! peak name 3dC896
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 0.742000
! to proton shift 1.850000
! from heavyatom shift 12.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 896
! note degeneracy 62, 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 ile and name hd*) (resid 20 and resn ile and name hb) 2.800000 1.000000 1.000000 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hb) 
 
! 
! peak name 3dC897
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83900.000000
! from proton shift 0.745000
! to proton shift 1.161000
! from heavyatom shift 12.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 897
! note degeneracy 20, 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg12) 3.050000 1.250000 1.250000 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg2#) 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg2#) 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg12) 
 
! 
! peak name 3dC898
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 72300.000000
! from proton shift 0.741000
! to proton shift 0.341000
! from heavyatom shift 12.681000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 898
! 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 20 and resn ile and name hd*) (resid 28 and resn LEU and name hd*) 3.900000 2.100000 2.100000 
    or (resid 20 and resn ile and name hd*) (resid 28 and resn LEU and name hd*) 

! 
! peak name 3dC9
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83900.000000
! from proton shift 0.745000
! to proton shift 1.161000
! from heavyatom shift 12.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 9
! note degeneracy 20, 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg12) 3.050000 1.250000 1.250000 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg2#) 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg2#) 
    or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg12) 
 
! 
! peak name 3dC90
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 17700.000000
! from proton shift 0.806000
! to proton shift 1.742000
! from heavyatom shift 26.767000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 90
! 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 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 leu and name hg) (resid 54 and resn ile and name hg11) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC91
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 81400.000000
! from proton shift 0.807000
! to proton shift 1.204000
! from heavyatom shift 26.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 91
! 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
! 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 leu and name hg) (resid 77 and resn LEU and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC911
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 164000.000000
! from proton shift 0.512000
! to proton shift 1.906000
! from heavyatom shift 16.518000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 911
! note degeneracy 34, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 34 and resn ile and name hd*) (resid 34 and resn ile and name hg12) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC912
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 26800.000000
! from proton shift 0.506000
! to proton shift 1.154000
! from heavyatom shift 16.467000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 912
! note degeneracy 10, 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 34 and resn ile and name hd*) (resid 9 and resn LEU and name hd*) 4.400000 2.600000 2.600000 
    or (resid 34 and resn ile and name hd*) (resid 31 and resn LEU and name hd*) 
    or (resid 34 and resn ile and name hd*) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dC913
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79800.000000
! from proton shift 0.509000
! to proton shift 3.406000
! from heavyatom shift 16.469000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 913
! 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 34 and resn ile and name hd*) (resid 34 and resn ile and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC914
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12500.000000
! from proton shift 0.511000
! to proton shift 3.277000
! from heavyatom shift 16.475000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 914
! 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 34 and resn ile and name hd*) (resid 33 and resn ARG and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC915
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18100.000000
! from proton shift 0.520000
! to proton shift 3.179000
! from heavyatom shift 16.392000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 915
! 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 0, with previousLikelihood range 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 ile and name hd*) (resid 33 and resn ARG and name hd*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC916
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14600.000000
! from proton shift 0.519000
! to proton shift 4.259000
! from heavyatom shift 16.601000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 916
! 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 34 and resn ile and name hd*) (resid 35 and resn his and name ha) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC917
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11800.000000
! from proton shift 0.515000
! to proton shift 3.840000
! from heavyatom shift 16.587000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 917
! 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 34 and resn ile and name hd*) (resid 37 and resn SER and name hb*) 4.150000 2.350000 2.350000 
 
! 
! peak name 3dC924
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64100.000000
! from proton shift 1.420000
! to proton shift 1.759000
! from heavyatom shift 18.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 924
! note degeneracy 76, 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 2, 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 hb#) (resid 47 and resn MET and name hg*) 3.650000 1.850000 1.850000 
    or (resid 11 and resn ala and name hb#) (resid 10 and resn LYS and name hb*) 
    or (resid 11 and resn ala and name hb#) (resid 10 and resn LYS and name hb*) 
 
! 
! peak name 3dC925
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 1.411000
! to proton shift 3.487000
! from heavyatom shift 18.214000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 925
! note degeneracy 32, 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 11 and resn ala and name hb#) (resid 8 and resn val and name ha) 2.800000 1.000000 1.000000 
    or (resid 11 and resn ala and name hb#) (resid 8 and resn val and name ha) 
 
! 
! peak name 3dC926
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 201000.000000
! from proton shift 1.274000
! to proton shift 4.350000
! from heavyatom shift 18.234000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 926
! 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 13 and resn ala and name hb#) (resid 13 and resn ala and name ha) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC930
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47600.000000
! from proton shift 1.764000
! to proton shift 0.953000
! from heavyatom shift 29.418000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 930
! note degeneracy 57, 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 54 and resn ile and name hg11) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC931
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 103000.000000
! from proton shift 0.516000
! to proton shift 1.751000
! from heavyatom shift 29.386000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 931
! 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 54 and resn ile and name hg12) (resid 54 and resn ile and name hg11) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC933
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 28600.000000
! from proton shift 0.798000
! to proton shift 2.663000
! from heavyatom shift 27.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 933
! 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 77 and resn leu and name hg) (resid 51 and resn MET and name hb*) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC935
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 171000.000000
! from proton shift 1.040000
! to proton shift 1.238000
! from heavyatom shift 26.757000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 935
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 leu and name hg) (resid 9 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC936
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 52300.000000
! from proton shift 1.047000
! to proton shift 1.445000
! from heavyatom shift 26.790000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 936
! note degeneracy 46, 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 39 and resn ile and name hg12) (resid 80 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC938
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 71900.000000
! from proton shift 1.040000
! to proton shift 2.008000
! from heavyatom shift 26.813000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 938
! 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 9 and resn leu and name hg) (resid 9 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC940
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 353000.000000
! from proton shift 1.860000
! to proton shift 0.741000
! from heavyatom shift 37.608000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 940
! 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 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 ile and name hb) (resid 20 and resn ile and name hd*) 2.500000 0.700000 0.700000 
    or (resid 20 and resn ile and name hb) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dC941
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 286000.000000
! from proton shift 1.832000
! to proton shift 0.903000
! from heavyatom shift 37.468000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 941
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ile and name hb) (resid 16 and resn ile and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC942
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 151000.000000
! from proton shift 1.821000
! to proton shift 1.575000
! from heavyatom shift 37.484000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 942
! note degeneracy 69, 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 16 and resn ile and name hb) (resid 16 and resn ile and name hg12) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC943
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 96400.000000
! from proton shift 1.823000
! to proton shift 3.907000
! from heavyatom shift 37.482000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 943
! note degeneracy 57, 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 16 and resn ile and name hb) (resid 16 and resn ile and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC945
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 77400.000000
! from proton shift 2.765000
! to proton shift 0.879000
! from heavyatom shift 41.772000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 945
! note degeneracy 42, 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 10 and resn LYS and name he*) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC946
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 278000.000000
! from proton shift 2.764000
! to proton shift 1.591000
! from heavyatom shift 41.786000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 946
! note degeneracy 48, 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 10 and resn LYS and name he*) (resid 10 and resn LYS and name hd*) 2.250000 0.450000 0.450000 
    or (resid 10 and resn LYS and name he*) (resid 10 and resn LYS and name hg*) 
 
! 
! peak name 3dC947
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 109000.000000
! from proton shift 2.768000
! to proton shift 1.741000
! from heavyatom shift 41.778000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 947
! note degeneracy 34, 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 10 and resn LYS and name he*) (resid 10 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC949
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 137000.000000
! from proton shift 3.074000
! to proton shift 1.986000
! from heavyatom shift 41.699000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 949
! note degeneracy 78, 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 10 and resn LYS and name he*) (resid 10 and resn LYS and name hb*) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC950
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68600.000000
! from proton shift 1.409000
! to proton shift 3.820000
! from heavyatom shift 41.835000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 950
! 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 28 and resn LEU and name hb*) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC951
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49500.000000
! from proton shift 1.775000
! to proton shift 3.817000
! from heavyatom shift 41.807000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 951
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 LEU and name hb*) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC953
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 22600.000000
! from proton shift 1.867000
! to proton shift 4.279000
! from heavyatom shift 33.554000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 953
! 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 3 and resn val and name hb) (resid 3 and resn val and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC955
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 56200.000000
! from proton shift 1.058000
! to proton shift 1.984000
! from heavyatom shift 23.816000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 955
! note degeneracy 26, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 67 and resn LEU and name hd*) (resid 65 and resn GLU and name hb*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dC956
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 221000.000000
! from proton shift 1.059000
! to proton shift 1.855000
! from heavyatom shift 23.876000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 956
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 67 and resn LEU and name hd*) (resid 67 and resn LEU and name hb*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC957
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 147000.000000
! from proton shift 1.067000
! to proton shift 1.507000
! from heavyatom shift 23.939000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 957
! 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 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 LEU and name hd*) (resid 67 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC96
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 286000.000000
! from proton shift 1.832000
! to proton shift 0.903000
! from heavyatom shift 37.468000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 96
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ile and name hb) (resid 16 and resn ile and name hd*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC960
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 146000.000000
! from proton shift 1.060000
! to proton shift 3.846000
! from heavyatom shift 23.862000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 960
! 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 67 and resn LEU and name hd*) (resid 67 and resn leu and name ha) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC962
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 238000.000000
! from proton shift 0.851000
! to proton shift 1.555000
! from heavyatom shift 22.754000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 962
! note degeneracy 80, 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 83 and resn LEU and name hd*) (resid 83 and resn LEU and name hb*) 2.500000 0.700000 0.700000 
    or (resid 83 and resn LEU and name hd*) (resid 83 and resn leu and name hg) 
 
! 
! peak name 3dC963
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 145000.000000
! from proton shift 0.822000
! to proton shift 1.985000
! from heavyatom shift 23.219000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 963
! note degeneracy 130, 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 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 77 and resn LEU and name hd*) (resid 50 and resn LEU and name hb*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC965
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13300.000000
! from proton shift 1.208000
! to proton shift 3.816000
! from heavyatom shift 43.932000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 965
! 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 46 and resn LEU and name hb*) (resid 43 and resn arg and name ha) 3.900000 2.100000 2.100000 
 
! 
! peak name 3dC969
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38400.000000
! from proton shift 0.900000
! to proton shift 2.081000
! from heavyatom shift 32.559000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 969
! note degeneracy 24, 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 25 and resn LYS and name hb*) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC97
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66800.000000
! from proton shift 1.828000
! to proton shift 1.258000
! from heavyatom shift 37.517000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 97
! 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 16 and resn ile and name hb) (resid 16 and resn ile and name hg2#) 3.650000 1.850000 1.850000 

! 
! peak name 3dC971
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45200.000000
! from proton shift 0.902000
! to proton shift 3.406000
! from heavyatom shift 32.430000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 971
! 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 25 and resn LYS and name hb*) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC977
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 50700.000000
! from proton shift 1.812000
! to proton shift 0.529000
! from heavyatom shift 31.575000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 977
! 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 27 and resn ile and name hg12) (resid 27 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC978
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 115000.000000
! from proton shift 2.329000
! to proton shift 4.117000
! from heavyatom shift 31.713000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 978
! note degeneracy 104, 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 6 and resn PRO and name hb*) (resid 6 and resn pro and name ha) 2.550000 0.750000 0.750000 
 
! 
! peak name 3dC979
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 380000.000000
! from proton shift 1.917000
! to proton shift 1.620000
! from heavyatom shift 33.935000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 979
! 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 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 18 and resn LYS and name hb*) (resid 18 and resn LYS and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC98
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63500.000000
! from proton shift 1.869000
! to proton shift 1.705000
! from heavyatom shift 37.698000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 98
! 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 20 and resn ile and name hb) (resid 20 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC980
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 222000.000000
! from proton shift 1.916000
! to proton shift 0.899000
! from heavyatom shift 34.975000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 980
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn val and name hb) (resid 15 and resn VAL and name hg*) 2.500000 0.700000 0.700000 
 
! 
! peak name 3dC981
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65400.000000
! from proton shift 3.122000
! to proton shift 3.937000
! from heavyatom shift 34.097000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 981
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 MET and name hb*) (resid 47 and resn met and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC982
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 258000.000000
! from proton shift 3.133000
! to proton shift 2.119000
! from heavyatom shift 34.042000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 982
! note degeneracy 25, 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 47 and resn MET and name hb*) (resid 47 and resn MET and name hg*) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC984
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49200.000000
! from proton shift 3.130000
! to proton shift 1.768000
! from heavyatom shift 34.052000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 984
! 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 47 and resn MET and name hb*) (resid 47 and resn MET and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC985
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 85600.000000
! from proton shift 2.133000
! to proton shift 0.817000
! from heavyatom shift 34.020000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 985
! 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 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 47 and resn MET and name hg*) (resid 77 and resn LEU and name hd*) 2.800000 1.000000 1.000000 
 
! 
! peak name 3dC987
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16000.000000
! from proton shift 1.929000
! to proton shift 3.726000
! from heavyatom shift 34.042000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 987
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn LYS and name hb*) (resid 17 and resn GLY and name ha*) 3.900000 2.100000 2.100000 
    or (resid 18 and resn LYS and name hb*) (resid 19 and resn PRO and name hd*) 

! 
! peak name 3dC989
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 100000.000000
! from proton shift 2.669000
! to proton shift 4.105000
! from heavyatom shift 36.299000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 989
! note degeneracy 56, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn GLU and name hg*) (resid 59 and resn glu and name ha) 2.550000 0.750000 0.750000 
    or (resid 42 and resn GLU and name hg*) (resid 42 and resn glu and name ha) 
 
! 
! peak name 3dC99
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 50400.000000
! from proton shift 1.859000
! to proton shift 4.089000
! from heavyatom shift 37.710000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 99
! note degeneracy 90, 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 20 and resn ile and name hb) (resid 20 and resn ile and name ha) 3.400000 1.600000 1.600000 

! 
! peak name 3dC994
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 1.936000
! to proton shift 1.556000
! from heavyatom shift 32.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 994
! note degeneracy 120, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn MET and name hg*) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 25 and resn LYS and name hb*) (resid 25 and resn LYS and name hg*) 
    or (resid 51 and resn MET and name hg*) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dC996
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63500.000000
! from proton shift 1.952000
! to proton shift 3.410000
! from heavyatom shift 32.503000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 996
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 LYS and name hb*) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC997
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 58800.000000
! from proton shift 1.750000
! to proton shift 2.759000
! from heavyatom shift 32.566000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 997
! 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 10 and resn LYS and name hb*) (resid 10 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dC998
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 196000.000000
! from proton shift 2.133000
! to proton shift 0.525000
! from heavyatom shift 38.409000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 998
! 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 27 and resn ile and name hb) (resid 27 and resn ile and name hg11) 2.250000 0.450000 0.450000 
 
! 
! peak name 3dC999
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35400.000000
! from proton shift 2.148000
! to proton shift 1.788000
! from heavyatom shift 38.668000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 999
! 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 27 and resn ile and name hb) (resid 27 and resn ile and name hg12) 3.400000 1.600000 1.600000 
 
!
! Converted from final Marvin NOEs
! Low-likelihood assignments were removed
!
! 
! peak name 3dN10
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 8.812000
! to proton shift 7.424000
! from heavyatom shift 127.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 10
! 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 4 and resn trp and name hn) (resid 5 and resn thr and name hn) 3.400000 1.600000 1.600000 

! 
! peak name 3dN102
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1320000.000000
! from proton shift 7.812000
! to proton shift 8.099000
! from heavyatom shift 108.911000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 102
! 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 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 80 and resn ala and name hn) 3.400000 1.600000 1.600000 
    or (resid 82 and resn gly and name hn) (resid 83 and resn leu and name hn) 
 
! 
! peak name 3dN103
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1010000.000000
! from proton shift 7.830000
! to proton shift 8.073000
! from heavyatom shift 112.541000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 103
! 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 0, with previousLikelihood range 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 ser and name hn) (resid 61 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN104
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 449000.000000
! from proton shift 8.226000
! to proton shift 7.816000
! from heavyatom shift 112.859000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 104
! 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 63 and resn ser and name hn) (resid 64 and resn ser and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN105
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 697000.000000
! from proton shift 7.894000
! to proton shift 8.533000
! from heavyatom shift 114.865000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 105
! 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 75 and resn thr and name hn) (resid 74 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN106
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 433000.000000
! from proton shift 7.894000
! to proton shift 8.063000
! from heavyatom shift 114.851000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 106
! note degeneracy 16, 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 75 and resn thr and name hn) (resid 77 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN107
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 601000.000000
! from proton shift 7.895000
! to proton shift 7.712000
! from heavyatom shift 114.863000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 107
! 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 75 and resn thr and name hn) (resid 76 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN108
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1010000.000000
! from proton shift 7.395000
! to proton shift 7.734000
! from heavyatom shift 115.205000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 108
! 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 37 and resn ser and name hn) (resid 36 and resn asn and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN109
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 153000.000000
! from proton shift 7.353000
! to proton shift 8.322000
! from heavyatom shift 115.805000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 109
! 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 67 and resn leu and name hn) (resid 68 and resn asn and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN110
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 574000.000000
! from proton shift 7.342000
! to proton shift 8.005000
! from heavyatom shift 115.617000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 110
! 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 0, with previousLikelihood range 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 his and name hn) (resid 34 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN111
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 556000.000000
! from proton shift 7.341000
! to proton shift 7.731000
! from heavyatom shift 115.584000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 111
! 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 35 and resn his and name hn) (resid 36 and resn asn and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN112
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 715000.000000
! from proton shift 7.766000
! to proton shift 8.658000
! from heavyatom shift 115.911000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 112
! 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 glu and name hn) (resid 58 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN114
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 876000.000000
! from proton shift 8.780000
! to proton shift 6.944000
! from heavyatom shift 116.345000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 114
! 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 41 and resn asp and name hn) (resid 42 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN115
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 8.385000
! to proton shift 8.692000
! from heavyatom shift 116.558000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 115
! 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 0, with previousLikelihood range 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 21 and resn gly and name hn) (resid 22 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN116
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 794000.000000
! from proton shift 8.016000
! to proton shift 8.179000
! from heavyatom shift 116.640000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 116
! 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 70 and resn phe and name hn) (resid 69 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN117
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 483000.000000
! from proton shift 8.075000
! to proton shift 7.349000
! from heavyatom shift 116.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_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 0, with previousLikelihood range 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 66 and resn arg and name hn) (resid 67 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN118
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 303000.000000
! from proton shift 7.821000
! to proton shift 8.211000
! from heavyatom shift 116.436000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 118
! 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 64 and resn ser and name hn) (resid 63 and resn ser and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN119
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1130000.000000
! from proton shift 7.946000
! to proton shift 8.096000
! from heavyatom shift 116.709000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 119
! 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 81 and resn leu and name hn) (resid 80 and resn ala and name hn) 3.400000 1.600000 1.600000 
    or (resid 81 and resn leu and name hn) (resid 83 and resn leu and name hn) 
 
! 
! peak name 3dN12
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1870000.000000
! from proton shift 7.424000
! to proton shift 4.897000
! from heavyatom shift 108.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 12
! 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 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 thr and name hn) (resid 4 and resn trp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN121
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 105000.000000
! from proton shift 7.459000
! to proton shift 8.630000
! from heavyatom shift 116.957000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 121
! 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 52 and resn glu and name hn) (resid 50 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN123
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 639000.000000
! from proton shift 8.061000
! to proton shift 8.431000
! from heavyatom shift 118.199000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 123
! 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 48 and resn his and name hn) (resid 47 and resn met and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN124
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 256000.000000
! from proton shift 8.333000
! to proton shift 7.357000
! from heavyatom shift 118.370000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 124
! 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 68 and resn asn and name hn) (resid 67 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN125
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1980000.000000
! from proton shift 8.430000
! to proton shift 8.046000
! from heavyatom shift 118.662000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 125
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn glu and name hn) (resid 77 and resn leu and name hn) 3.400000 1.600000 1.600000 
    or (resid 78 and resn glu and name hn) (resid 79 and resn lys and name hn) 
    or (resid 47 and resn met and name hn) (resid 48 and resn his and name hn) 
 
! 
! peak name 3dN126
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 640000.000000
! from proton shift 8.306000
! to proton shift 7.683000
! from heavyatom shift 118.952000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 126
! 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 32 and resn gln and name hn) (resid 33 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN127
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 200000.000000
! from proton shift 8.301000
! to proton shift 8.025000
! from heavyatom shift 119.017000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 127
! 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 0, with previousLikelihood range 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 gln and name hn) (resid 30 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN128
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1170000.000000
! from proton shift 8.541000
! to proton shift 7.882000
! from heavyatom shift 119.335000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 128
! 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 74 and resn arg and name hn) (resid 73 and resn leu and name hn) 3.400000 1.600000 1.600000 
    or (resid 74 and resn arg and name hn) (resid 75 and resn thr and name hn) 
 
! 
! peak name 3dN129
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 663000.000000
! from proton shift 8.183000
! to proton shift 8.623000
! from heavyatom shift 119.329000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 129
! 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 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 3dN13
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 351000.000000
! from proton shift 8.811000
! to proton shift 4.901000
! from heavyatom shift 127.746000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 13
! 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 4 and resn trp and name hn) (resid 4 and resn trp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN130
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 258000.000000
! from proton shift 8.184000
! to proton shift 8.429000
! from heavyatom shift 119.346000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 130
! 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 49 and resn glu and name hn) (resid 47 and resn met and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN131
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1110000.000000
! from proton shift 8.416000
! to proton shift 8.023000
! from heavyatom shift 119.501000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 131
! note degeneracy 34, 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 31 and resn leu and name hn) (resid 30 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN132
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 637000.000000
! from proton shift 8.328000
! to proton shift 8.073000
! from heavyatom shift 120.185000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 132
! 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 28 and resn leu and name hn) (resid 29 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN133
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 524000.000000
! from proton shift 8.327000
! to proton shift 7.727000
! from heavyatom shift 120.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 133
! 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 28 and resn leu and name hn) (resid 27 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN135
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 467000.000000
! from proton shift 8.517000
! to proton shift 7.969000
! from heavyatom shift 120.179000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 135
! 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 25 and resn lys and name hn) (resid 26 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN136
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 423000.000000
! from proton shift 8.517000
! to proton shift 8.343000
! from heavyatom shift 120.183000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 136
! 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 25 and resn lys and name hn) (resid 24 and resn tyr and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN137
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 122000.000000
! from proton shift 8.638000
! to proton shift 7.442000
! from heavyatom shift 120.237000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 137
! 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 50 and resn leu and name hn) (resid 52 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN139
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 527000.000000
! from proton shift 8.069000
! to proton shift 7.726000
! from heavyatom shift 120.702000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 139
! 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 77 and resn leu and name hn) (resid 76 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN14
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 458000.000000
! from proton shift 7.993000
! to proton shift 4.250000
! from heavyatom shift 120.790000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 14
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 val and name hn) (resid 3 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN140
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 506000.000000
! from proton shift 7.843000
! to proton shift 8.968000
! from heavyatom shift 121.554000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 140
! 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 39 and resn ile and name hn) (resid 38 and resn asn and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN144
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 210000.000000
! from proton shift 8.541000
! to proton shift 8.045000
! from heavyatom shift 127.730000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 144
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn ile and name hn) (resid 15 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN145
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 504000.000000
! from proton shift 6.990000
! to proton shift 4.182000
! from heavyatom shift 113.414000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 145
! 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 14 and resn ser and name hn) (resid 14 and resn ser and name ha) 3.400000 1.600000 1.600000 
    or (resid 14 and resn ser and name hn) (resid 15 and resn val and name ha) 
 
! 
! peak name 3dN146
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 650000.000000
! from proton shift 6.990000
! to proton shift 3.875000
! from heavyatom shift 113.445000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 146
! 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 14 and resn ser and name hn) (resid 14 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN147
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 236000.000000
! from proton shift 8.070000
! to proton shift 3.874000
! from heavyatom shift 124.999000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 147
! 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 15 and resn val and name hn) (resid 14 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN148
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 528000.000000
! from proton shift 8.063000
! to proton shift 1.912000
! from heavyatom shift 124.978000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 148
! note degeneracy 36, 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 15 and resn val and name hn) (resid 15 and resn val and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN149
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 581000.000000
! from proton shift 8.062000
! to proton shift 0.861000
! from heavyatom shift 124.994000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 149
! 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 15 and resn val and name hn) (resid 15 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 15 and resn val and name hn) (resid 15 and resn VAL and name hg*) 
 
! 
! peak name 3dN15
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1190000.000000
! from proton shift 7.991000
! to proton shift 0.754000
! from heavyatom shift 120.777000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 15
! 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 3 and resn val and name hn) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN150
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 827000.000000
! from proton shift 8.542000
! to proton shift 0.892000
! from heavyatom shift 127.722000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 150
! 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 16 and resn ile and name hn) (resid 16 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN152
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 851000.000000
! from proton shift 8.541000
! to proton shift 1.821000
! from heavyatom shift 127.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 152
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn ile and name hn) (resid 16 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN154
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 587000.000000
! from proton shift 8.694000
! to proton shift 4.407000
! from heavyatom shift 119.214000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 154
! 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 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 glu and name hn) (resid 21 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN155
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 841000.000000
! from proton shift 8.390000
! to proton shift 4.222000
! from heavyatom shift 116.510000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 155
! note degeneracy 19, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 gly and name hn) (resid 21 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN156
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1170000.000000
! from proton shift 8.390000
! to proton shift 4.088000
! from heavyatom shift 116.503000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 156
! note degeneracy 29, 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 21 and resn gly and name hn) (resid 20 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN157
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 584000.000000
! from proton shift 8.388000
! to proton shift 4.402000
! from heavyatom shift 116.498000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 157
! 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 21 and resn gly and name hn) (resid 21 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN159
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 349000.000000
! from proton shift 8.500000
! to proton shift 4.091000
! from heavyatom shift 121.774000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 159
! 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 20 and resn ile and name hn) (resid 20 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN160
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 617000.000000
! from proton shift 8.499000
! to proton shift 0.741000
! from heavyatom shift 121.834000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 160
! 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
! 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 ile and name hn) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 20 and resn ile and name hn) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dN161
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 432000.000000
! from proton shift 8.502000
! to proton shift 1.167000
! from heavyatom shift 121.871000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 161
! 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 20 and resn ile and name hn) (resid 20 and resn ile and name hg12) 3.650000 1.850000 1.850000 
    or (resid 20 and resn ile and name hn) (resid 20 and resn ile and name hg2#) 
 
! 
! peak name 3dN162
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1400000.000000
! from proton shift 8.099000
! to proton shift 4.078000
! from heavyatom shift 123.039000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 162
! note degeneracy 29, 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 80 and resn ala and name hn) (resid 79 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN163
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 771000.000000
! from proton shift 7.947000
! to proton shift 4.207000
! from heavyatom shift 116.693000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 163
! note degeneracy 38, 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 hn) (resid 81 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN164
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1100000.000000
! from proton shift 8.035000
! to proton shift 4.080000
! from heavyatom shift 117.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 164
! note degeneracy 90, 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 12 and resn arg and name hn) (resid 11 and resn ala and name ha) 3.400000 1.600000 1.600000 
    or (resid 12 and resn arg and name hn) (resid 12 and resn arg and name ha) 
 
! 
! peak name 3dN165
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 523000.000000
! from proton shift 8.430000
! to proton shift 4.078000
! from heavyatom shift 118.675000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 165
! note degeneracy 58, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn glu and name hn) (resid 75 and resn thr and name ha) 3.400000 1.600000 1.600000 
    or (resid 78 and resn glu and name hn) (resid 79 and resn lys and name ha) 
    or (resid 47 and resn met and name hn) (resid 46 and resn leu and name ha) 
 
! 
! peak name 3dN166
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2780000.000000
! from proton shift 8.099000
! to proton shift 1.420000
! from heavyatom shift 123.030000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 166
! 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 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 79 and resn LYS and name hg*) 3.650000 1.850000 1.850000 
    or (resid 80 and resn ala and name hn) (resid 80 and resn ala and name hb#) 
    or (resid 80 and resn ala and name hn) (resid 81 and resn LEU and name hb*) 
 
! 
! peak name 3dN167
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1590000.000000
! from proton shift 7.948000
! to proton shift 1.425000
! from heavyatom shift 116.694000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 167
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, 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*) 
    or (resid 81 and resn leu and name hn) (resid 81 and resn leu and name hg) 
 
! 
! peak name 3dN168
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1170000.000000
! from proton shift 8.101000
! to proton shift 1.856000
! from heavyatom shift 123.039000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 168
! note degeneracy 30, 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 79 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN17
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1180000.000000
! from proton shift 7.423000
! to proton shift 0.981000
! from heavyatom shift 108.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 17
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 5 and resn thr and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 5 and resn thr and name hn) (resid 3 and resn VAL and name hg*) 
    or (resid 5 and resn thr and name hn) (resid 5 and resn thr and name hg1) 
 
! 
! peak name 3dN170
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1770000.000000
! from proton shift 7.948000
! to proton shift 1.761000
! from heavyatom shift 116.682000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 170
! note degeneracy 38, 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 81 and resn leu and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN171
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 398000.000000
! from proton shift 7.811000
! to proton shift 1.774000
! from heavyatom shift 108.883000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 171
! 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 0, with previousLikelihood range 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 82 and resn gly and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 82 and resn gly and name hn) (resid 84 and resn GLU and name hb*) 
 
! 
! peak name 3dN172
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 561000.000000
! from proton shift 7.947000
! to proton shift 0.859000
! from heavyatom shift 116.684000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 172
! 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 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 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 81 and resn leu and name hn) (resid 83 and resn LEU and name hd*) 
 
! 
! peak name 3dN173
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 268000.000000
! from proton shift 7.812000
! to proton shift 0.861000
! from heavyatom shift 108.936000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 173
! 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 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 3dN174
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 839000.000000
! from proton shift 8.106000
! to proton shift 3.937000
! from heavyatom shift 119.670000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 174
! 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 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 83 and resn leu and name hn) (resid 82 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
    or (resid 83 and resn leu and name hn) (resid 82 and resn GLY and name ha*) 
 
! 
! peak name 3dN175
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2300000.000000
! from proton shift 7.811000
! to proton shift 3.934000
! from heavyatom shift 108.896000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 175
! 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 82 and resn gly and name hn) (resid 82 and resn GLY and name ha*) 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 3dN176
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 250000.000000
! from proton shift 7.946000
! to proton shift 3.914000
! from heavyatom shift 116.639000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 176
! 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 0, with previousLikelihood range 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 77 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN177
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 771000.000000
! from proton shift 8.106000
! to proton shift 4.381000
! from heavyatom shift 119.655000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 177
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 83 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN178
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 859000.000000
! from proton shift 8.105000
! to proton shift 0.850000
! from heavyatom shift 119.677000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 178
! 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 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 83 and resn leu and name hn) (resid 81 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 hd*) 
 
! 
! peak name 3dN179
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 477000.000000
! from proton shift 8.325000
! to proton shift 0.354000
! from heavyatom shift 120.083000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 179
! 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 28 and resn leu and name hn) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN18
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 194000.000000
! from proton shift 8.809000
! to proton shift 1.839000
! from heavyatom shift 127.744000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 18
! 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 4 and resn trp and name hn) (resid 3 and resn val and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN180
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 192000.000000
! from proton shift 8.102000
! to proton shift 0.814000
! from heavyatom shift 123.040000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 180
! 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 80 and resn ala and name hn) (resid 77 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN181
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 572000.000000
! from proton shift 8.043000
! to proton shift 1.415000
! from heavyatom shift 117.670000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 181
! note degeneracy 66, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn arg and name hn) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 12 and resn arg and name hn) (resid 11 and resn ala and name hb#) 
    or (resid 12 and resn arg and name hn) (resid 11 and resn ala and name hb#) 
    or (resid 12 and resn arg and name hn) (resid 12 and resn ARG and name hb*) 
    or (resid 12 and resn arg and name hn) (resid 12 and resn ARG and name hg*) 
    or (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name hg*) 
    or (resid 79 and resn lys and name hn) (resid 80 and resn ala and name hb#) 
    or (resid 79 and resn lys and name hn) (resid 81 and resn LEU and name hb*) 
 
! 
! peak name 3dN182
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 572000.000000
! from proton shift 8.043000
! to proton shift 1.415000
! from heavyatom shift 117.670000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 182
! note degeneracy 66, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn arg and name hn) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 12 and resn arg and name hn) (resid 11 and resn ala and name hb#) 
    or (resid 12 and resn arg and name hn) (resid 11 and resn ala and name hb#) 
    or (resid 12 and resn arg and name hn) (resid 12 and resn ARG and name hb*) 
    or (resid 12 and resn arg and name hn) (resid 12 and resn ARG and name hg*) 
    or (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name hg*) 
    or (resid 79 and resn lys and name hn) (resid 80 and resn ala and name hb#) 
    or (resid 79 and resn lys and name hn) (resid 81 and resn LEU and name hb*) 
 
! 
! peak name 3dN183
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 722000.000000
! from proton shift 8.423000
! to proton shift 3.667000
! from heavyatom shift 118.677000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 183
! 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 78 and resn glu and name hn) (resid 78 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN185
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1380000.000000
! from proton shift 8.431000
! to proton shift 2.487000
! from heavyatom shift 118.647000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 185
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn glu and name hn) (resid 78 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN187
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1440000.000000
! from proton shift 8.430000
! to proton shift 2.122000
! from heavyatom shift 118.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 187
! note degeneracy 50, 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 78 and resn glu and name hn) (resid 78 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
    or (resid 47 and resn met and name hn) (resid 47 and resn MET and name hg*) 
 
! 
! peak name 3dN188
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 882000.000000
! from proton shift 8.074000
! to proton shift 3.901000
! from heavyatom shift 120.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 188
! note degeneracy 76, 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 leu and name hn) (resid 77 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN189
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 615000.000000
! from proton shift 7.717000
! to proton shift 3.851000
! from heavyatom shift 121.236000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 189
! 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 76 and resn gln and name hn) (resid 76 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN19
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 251000.000000
! from proton shift 7.423000
! to proton shift 3.118000
! from heavyatom shift 108.581000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 19
! 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 5 and resn thr and name hn) (resid 4 and resn TRP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN190
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1410000.000000
! from proton shift 7.895000
! to proton shift 4.258000
! from heavyatom shift 114.858000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_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 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 75 and resn thr and name hn) (resid 75 and resn thr and name hb) 3.400000 1.600000 1.600000 
    or (resid 75 and resn thr and name hn) (resid 75 and resn thr and name hg1) 
 
! 
! peak name 3dN191
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 537000.000000
! from proton shift 7.718000
! to proton shift 4.266000
! from heavyatom shift 121.235000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 191
! 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 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 75 and resn thr and name hb) 3.400000 1.600000 1.600000 
    or (resid 76 and resn gln and name hn) (resid 75 and resn thr and name hg1) 
 
! 
! peak name 3dN192
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 904000.000000
! from proton shift 7.893000
! to proton shift 4.077000
! from heavyatom shift 114.872000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 192
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 thr and name hn) (resid 75 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN193
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 290000.000000
! from proton shift 7.721000
! to proton shift 4.060000
! from heavyatom shift 121.198000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 193
! note degeneracy 29, 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 76 and resn gln and name hn) (resid 75 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN194
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 771000.000000
! from proton shift 8.436000
! to proton shift 0.802000
! from heavyatom shift 118.624000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 194
! note degeneracy 24, 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn met and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 47 and resn met and name hn) (resid 77 and resn LEU and name hd*) 
    or (resid 78 and resn glu and name hn) (resid 77 and resn LEU and name hd*) 
    or (resid 78 and resn glu and name hn) (resid 77 and resn leu and name hg) 
 
! 
! peak name 3dN195
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 865000.000000
! from proton shift 8.068000
! to proton shift 0.786000
! from heavyatom shift 120.667000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 195
! 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 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 leu and name hn) (resid 77 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN196
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 567000.000000
! from proton shift 8.539000
! to proton shift 3.691000
! from heavyatom shift 119.325000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 196
! 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 74 and resn arg and name hn) (resid 74 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN197
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 280000.000000
! from proton shift 7.896000
! to proton shift 3.690000
! from heavyatom shift 114.856000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 197
! 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 0, with previousLikelihood range 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 thr and name hn) (resid 74 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN198
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 788000.000000
! from proton shift 7.895000
! to proton shift 1.244000
! from heavyatom shift 114.850000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 198
! 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 75 and resn thr and name hn) (resid 75 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN199
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 314000.000000
! from proton shift 7.718000
! to proton shift 1.236000
! from heavyatom shift 121.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 199
! 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 76 and resn gln and name hn) (resid 75 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN2
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 296000.000000
! from proton shift 8.864000
! to proton shift 1.557000
! from heavyatom shift 130.995000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 2
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 40 and resn leu and name hn) (resid 40 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 40 and resn leu and name hn) (resid 40 and resn leu and name hg) 
 
! 
! peak name 3dN20
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 390000.000000
! from proton shift 7.426000
! to proton shift 3.323000
! from heavyatom shift 108.568000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 20
! 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 5 and resn thr and name hn) (resid 4 and resn TRP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN200
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 127000.000000
! from proton shift 8.538000
! to proton shift 1.260000
! from heavyatom shift 119.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 200
! 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 74 and resn arg and name hn) (resid 75 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN201
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 982000.000000
! from proton shift 8.539000
! to proton shift 1.889000
! from heavyatom shift 119.317000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 201
! note degeneracy 30, 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 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 74 and resn arg and name hn) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 74 and resn arg and name hn) (resid 74 and resn ARG and name hb*) 
    or (resid 74 and resn arg and name hn) (resid 74 and resn ARG and name hg*) 
 
! 
! peak name 3dN202
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 506000.000000
! from proton shift 8.542000
! to proton shift 1.448000
! from heavyatom shift 119.328000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 202
! 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 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 74 and resn arg and name hn) (resid 74 and resn ARG and name hg*) 3.650000 1.850000 1.850000 
    or (resid 74 and resn arg and name hn) (resid 77 and resn LEU and name hd*) 
 
! 
! peak name 3dN204
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 584000.000000
! from proton shift 7.894000
! to proton shift 1.885000
! from heavyatom shift 114.865000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 204
! note degeneracy 30, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 75 and resn thr and name hn) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 75 and resn thr and name hn) (resid 74 and resn ARG and name hb*) 
    or (resid 75 and resn thr and name hn) (resid 74 and resn ARG and name hg*) 
 
! 
! peak name 3dN205
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 616000.000000
! from proton shift 7.718000
! to proton shift 1.888000
! from heavyatom shift 121.245000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 205
! note degeneracy 30, 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 76 and resn gln and name hn) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 76 and resn gln and name hn) (resid 74 and resn ARG and name hb*) 
 
! 
! peak name 3dN206
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 715000.000000
! from proton shift 7.717000
! to proton shift 2.129000
! from heavyatom shift 121.245000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 206
! note degeneracy 52, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn gln and name hn) (resid 73 and resn LEU 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 hg*) 
    or (resid 76 and resn gln and name hn) (resid 77 and resn LEU and name hb*) 
 
! 
! peak name 3dN207
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 935000.000000
! from proton shift 7.718000
! to proton shift 2.323000
! from heavyatom shift 121.232000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 207
! note degeneracy 17, 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 76 and resn gln and name hn) (resid 76 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
    or (resid 76 and resn gln and name hn) (resid 78 and resn GLU and name hb*) 
 
! 
! peak name 3dN208
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 385000.000000
! from proton shift 7.885000
! to proton shift 4.454000
! from heavyatom shift 121.287000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 208
! 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 73 and resn leu and name hn) (resid 70 and resn phe and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN209
! bounds 5.000000 1.800000
! likelihood 0.930000
! intensity 171000.000000
! from proton shift 8.540000
! to proton shift 4.451000
! from heavyatom shift 119.329000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 209
! 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 74 and resn arg and name hn) (resid 70 and resn phe and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN21
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 263000.000000
! from proton shift 7.425000
! to proton shift 3.999000
! from heavyatom shift 108.561000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 21
! 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 5 and resn thr and name hn) (resid 5 and resn thr and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN210
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 692000.000000
! from proton shift 7.595000
! to proton shift 4.000000
! from heavyatom shift 121.839000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 210
! note degeneracy 44, 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 72 and resn glu and name hn) (resid 72 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN211
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 698000.000000
! from proton shift 7.894000
! to proton shift 2.179000
! from heavyatom shift 114.871000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_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 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 thr and name hn) (resid 72 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 75 and resn thr and name hn) (resid 74 and resn ARG and name hb*) 
 
! 
! peak name 3dN212
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1020000.000000
! from proton shift 8.539000
! to proton shift 2.173000
! from heavyatom shift 119.337000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 212
! 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 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 74 and resn arg and name hn) (resid 72 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 74 and resn arg and name hn) (resid 74 and resn ARG and name hb*) 
 
! 
! peak name 3dN213
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1050000.000000
! from proton shift 7.594000
! to proton shift 2.132000
! from heavyatom shift 121.839000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 213
! note degeneracy 54, 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 72 and resn glu and name hn) (resid 72 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
    or (resid 72 and resn glu and name hn) (resid 73 and resn LEU and name hb*) 
 
! 
! peak name 3dN214
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1870000.000000
! from proton shift 7.594000
! to proton shift 1.978000
! from heavyatom shift 121.844000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 214
! note degeneracy 58, 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 72 and resn glu and name hn) (resid 72 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN215
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1300000.000000
! from proton shift 7.887000
! to proton shift 2.129000
! from heavyatom shift 121.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 215
! note degeneracy 52, 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 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 72 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
    or (resid 73 and resn leu and name hn) (resid 73 and resn LEU and name hb*) 
 
! 
! peak name 3dN216
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 303000.000000
! from proton shift 7.884000
! to proton shift 0.930000
! from heavyatom shift 121.271000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 216
! 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 0, 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 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN217
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 269000.000000
! from proton shift 8.897000
! to proton shift 3.915000
! from heavyatom shift 120.089000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 217
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 71 and resn arg and name hn) (resid 71 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN218
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 170000.000000
! from proton shift 8.895000
! to proton shift 4.448000
! from heavyatom shift 120.077000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 218
! 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 71 and resn arg and name hn) (resid 68 and resn asn and name ha) 3.400000 1.600000 1.600000 
    or (resid 71 and resn arg and name hn) (resid 70 and resn phe and name ha) 
 
! 
! peak name 3dN219
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 661000.000000
! from proton shift 8.899000
! to proton shift 1.954000
! from heavyatom shift 120.074000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 219
! note degeneracy 34, 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 71 and resn arg and name hn) (resid 71 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN22
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 7.423000
! to proton shift 4.535000
! from heavyatom shift 108.600000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 22
! 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 5 and resn thr and name hn) (resid 5 and resn thr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN220
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 336000.000000
! from proton shift 8.899000
! to proton shift 3.167000
! from heavyatom shift 120.061000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 220
! 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 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 71 and resn arg and name hn) (resid 70 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
    or (resid 71 and resn arg and name hn) (resid 71 and resn ARG and name hd*) 
 
! 
! peak name 3dN221
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1300000.000000
! from proton shift 8.016000
! to proton shift 3.183000
! from heavyatom shift 116.648000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 221
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 phe and name hn) (resid 70 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN222
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 850000.000000
! from proton shift 7.341000
! to proton shift 2.996000
! from heavyatom shift 115.600000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 222
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn his and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 35 and resn his and name hn) (resid 36 and resn ASN and name hb*) 
    or (resid 35 and resn his and name hn) (resid 38 and resn ASN and name hb*) 
 
! 
! peak name 3dN223
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 318000.000000
! from proton shift 7.748000
! to proton shift 3.214000
! from heavyatom shift 116.632000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 223
! 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 36 and resn asn and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN225
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 727000.000000
! from proton shift 8.016000
! to proton shift 4.464000
! from heavyatom shift 116.656000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 225
! 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 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 phe and name hn) (resid 69 and resn ala and name ha) 3.400000 1.600000 1.600000 
    or (resid 70 and resn phe and name hn) (resid 70 and resn phe and name ha) 
 
! 
! peak name 3dN226
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2130000.000000
! from proton shift 8.181000
! to proton shift 1.392000
! from heavyatom shift 122.769000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 226
! 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 69 and resn ala and name hn) (resid 69 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN227
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 694000.000000
! from proton shift 8.180000
! to proton shift 2.922000
! from heavyatom shift 122.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 227
! 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 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 69 and resn ala and name hn) (resid 68 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN228
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 766000.000000
! from proton shift 8.180000
! to proton shift 4.483000
! from heavyatom shift 122.766000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 228
! 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 69 and resn ala and name hn) (resid 69 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN229
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 610000.000000
! from proton shift 8.336000
! to proton shift 4.433000
! from heavyatom shift 118.364000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 229
! 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 68 and resn asn and name hn) (resid 68 and resn asn and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN23
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 370000.000000
! from proton shift 8.810000
! to proton shift 3.318000
! from heavyatom shift 127.721000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 23
! 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 4 and resn trp and name hn) (resid 4 and resn TRP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN231
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 956000.000000
! from proton shift 8.335000
! to proton shift 2.932000
! from heavyatom shift 118.363000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 231
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 68 and resn asn and name hn) (resid 68 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
    or (resid 68 and resn asn and name hn) (resid 68 and resn ASN and name hb*) 
 
! 
! peak name 3dN232
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 162000.000000
! from proton shift 8.182000
! to proton shift 3.907000
! from heavyatom shift 122.738000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 232
! 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 69 and resn ala and name hn) (resid 66 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN233
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 240000.000000
! from proton shift 7.363000
! to proton shift 3.914000
! from heavyatom shift 115.833000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 233
! 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 0, with previousLikelihood range 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 67 and resn leu and name hn) (resid 66 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN234
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 608000.000000
! from proton shift 7.341000
! to proton shift 3.223000
! from heavyatom shift 115.604000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 234
! 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 35 and resn his and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN235
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 490000.000000
! from proton shift 7.842000
! to proton shift 4.970000
! from heavyatom shift 121.564000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 235
! 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 39 and resn ile and name hn) (resid 38 and resn asn and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN236
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 163000.000000
! from proton shift 8.984000
! to proton shift 4.980000
! from heavyatom shift 125.545000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 236
! 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
! 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 asn and name hn) (resid 38 and resn asn and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN237
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 728000.000000
! from proton shift 8.981000
! to proton shift 4.494000
! from heavyatom shift 125.560000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 237
! 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 38 and resn asn and name hn) (resid 37 and resn ser and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN238
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 831000.000000
! from proton shift 7.394000
! to proton shift 3.824000
! from heavyatom shift 115.195000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 238
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn ser and name hn) (resid 37 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN239
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 563000.000000
! from proton shift 7.395000
! to proton shift 4.493000
! from heavyatom shift 115.192000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 239
! 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 ser and name hn) (resid 37 and resn ser and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN240
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1070000.000000
! from proton shift 7.394000
! to proton shift 3.739000
! from heavyatom shift 115.202000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 240
! 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 37 and resn ser and name hn) (resid 37 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN241
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 216000.000000
! from proton shift 8.980000
! to proton shift 2.811000
! from heavyatom shift 125.582000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 241
! 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 38 and resn asn and name hn) (resid 38 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN242
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 106000.000000
! from proton shift 7.843000
! to proton shift 2.802000
! from heavyatom shift 121.549000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 242
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 39 and resn ile and name hn) (resid 38 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN243
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1320000.000000
! from proton shift 7.842000
! to proton shift 1.882000
! from heavyatom shift 121.552000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 243
! note degeneracy 60, 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 39 and resn ile and name hn) (resid 39 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 39 and resn ile and name hn) (resid 43 and resn ARG and name hb*) 
 
! 
! peak name 3dN244
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 310000.000000
! from proton shift 7.840000
! to proton shift 0.877000
! from heavyatom shift 121.551000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 244
! 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 39 and resn ile and name hn) (resid 34 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN245
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 346000.000000
! from proton shift 7.842000
! to proton shift 1.073000
! from heavyatom shift 121.541000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 245
! 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 39 and resn ile and name hn) (resid 39 and resn ile and name hg12) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN246
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 679000.000000
! from proton shift 7.745000
! to proton shift 4.812000
! from heavyatom shift 116.617000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 246
! 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 36 and resn asn and name hn) (resid 36 and resn asn and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN248
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 543000.000000
! from proton shift 7.342000
! to proton shift 4.246000
! from heavyatom shift 115.626000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 248
! 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 35 and resn his and name hn) (resid 35 and resn his and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN249
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 275000.000000
! from proton shift 7.744000
! to proton shift 4.235000
! from heavyatom shift 116.627000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 249
! 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 0, with previousLikelihood range 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 asn and name hn) (resid 35 and resn his and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN25
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 137000.000000
! from proton shift 8.062000
! to proton shift 8.541000
! from heavyatom shift 124.979000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 25
! 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 0, with previousLikelihood range 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 val and name hn) (resid 16 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN250
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1280000.000000
! from proton shift 7.747000
! to proton shift 2.736000
! from heavyatom shift 116.629000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 250
! 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 36 and resn asn and name hn) (resid 36 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN251
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1030000.000000
! from proton shift 7.747000
! to proton shift 2.996000
! from heavyatom shift 116.629000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 251
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 36 and resn asn and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 36 and resn asn and name hn) (resid 36 and resn ASN and name hb*) 
    or (resid 36 and resn asn and name hn) (resid 38 and resn ASN and name hb*) 
 
! 
! peak name 3dN252
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 847000.000000
! from proton shift 7.341000
! to proton shift 2.994000
! from heavyatom shift 115.596000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 252
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 35 and resn his and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 35 and resn his and name hn) (resid 36 and resn ASN and name hb*) 
    or (resid 35 and resn his and name hn) (resid 38 and resn ASN and name hb*) 
 
! 
! peak name 3dN253
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 325000.000000
! from proton shift 7.394000
! to proton shift 2.743000
! from heavyatom shift 115.215000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 253
! 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 37 and resn ser and name hn) (resid 36 and resn ASN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN254
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 353000.000000
! from proton shift 7.341000
! to proton shift 0.495000
! from heavyatom shift 115.620000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 254
! 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 0, with previousLikelihood range 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 his and name hn) (resid 34 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN255
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 732000.000000
! from proton shift 7.340000
! to proton shift 2.076000
! from heavyatom shift 115.575000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 255
! note degeneracy 81, 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 35 and resn his and name hn) (resid 33 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 35 and resn his and name hn) (resid 34 and resn ile and name hb) 
 
! 
! peak name 3dN256
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1250000.000000
! from proton shift 7.688000
! to proton shift 4.050000
! from heavyatom shift 118.249000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 256
! note degeneracy 27, 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 33 and resn arg and name hn) (resid 33 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN257
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1330000.000000
! from proton shift 7.687000
! to proton shift 2.090000
! from heavyatom shift 118.246000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 257
! 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 0, with previousLikelihood range 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 arg and name hn) (resid 33 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN258
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1150000.000000
! from proton shift 8.514000
! to proton shift 3.826000
! from heavyatom shift 114.758000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 258
! 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 7 and resn glu and name hn) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN259
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 320000.000000
! from proton shift 7.218000
! to proton shift 3.810000
! from heavyatom shift 121.776000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 259
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn val and name hn) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 8 and resn val and name hn) (resid 9 and resn leu and name ha) 
 
! 
! peak name 3dN260
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 691000.000000
! from proton shift 7.217000
! to proton shift 3.484000
! from heavyatom shift 121.752000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 260
! 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 8 and resn val and name hn) (resid 8 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN261
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1600000.000000
! from proton shift 7.218000
! to proton shift 0.839000
! from heavyatom shift 121.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 261
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 val and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN262
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1430000.000000
! from proton shift 7.216000
! to proton shift 1.719000
! from heavyatom shift 121.756000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 262
! 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 8 and resn val and name hn) (resid 8 and resn val and name hb) 3.400000 1.600000 1.600000 
    or (resid 8 and resn val and name hn) (resid 10 and resn LYS and name hb*) 
 
! 
! peak name 3dN263
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 505000.000000
! from proton shift 7.216000
! to proton shift 1.973000
! from heavyatom shift 121.770000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 263
! 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 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 val and name hn) (resid 7 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 8 and resn val and name hn) (resid 9 and resn LEU and name hb*) 
 
! 
! peak name 3dN264
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 688000.000000
! from proton shift 8.514000
! to proton shift 2.309000
! from heavyatom shift 114.761000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 264
! note degeneracy 17, 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 7 and resn glu and name hn) (resid 7 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
    or (resid 7 and resn glu and name hn) (resid 6 and resn PRO and name hb*) 
 
! 
! peak name 3dN265
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1210000.000000
! from proton shift 8.516000
! to proton shift 2.000000
! from heavyatom shift 114.768000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 265
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn glu and name hn) (resid 6 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN266
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 181000.000000
! from proton shift 8.513000
! to proton shift 0.834000
! from heavyatom shift 114.775000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 266
! note degeneracy 18, 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 7 and resn glu and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
    or (resid 7 and resn glu and name hn) (resid 28 and resn LEU and name hd*) 
 
! 
! peak name 3dN267
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 165000.000000
! from proton shift 8.046000
! to proton shift 3.477000
! from heavyatom shift 119.481000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 267
! note degeneracy 50, 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 leu and name hn) (resid 8 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN268
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 745000.000000
! from proton shift 8.454000
! to proton shift 4.134000
! from heavyatom shift 115.644000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 268
! note degeneracy 29, 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 10 and resn lys and name hn) (resid 10 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN269
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 332000.000000
! from proton shift 8.455000
! to proton shift 3.805000
! from heavyatom shift 115.687000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 269
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn lys and name hn) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 10 and resn lys and name hn) (resid 9 and resn leu and name ha) 
 
! 
! peak name 3dN27
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 120000.000000
! from proton shift 8.066000
! to proton shift 6.966000
! from heavyatom shift 124.936000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 27
! 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 15 and resn val and name hn) (resid 14 and resn ser and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN270
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 596000.000000
! from proton shift 8.454000
! to proton shift 1.405000
! from heavyatom shift 115.650000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 270
! 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn lys and name hn) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 10 and resn lys and name hn) (resid 11 and resn ala and name hb#) 
    or (resid 10 and resn lys and name hn) (resid 11 and resn ala and name hb#) 
    or (resid 10 and resn lys and name hn) (resid 12 and resn ARG and name hb*) 
 
! 
! peak name 3dN271
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1720000.000000
! from proton shift 8.455000
! to proton shift 1.732000
! from heavyatom shift 115.648000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 271
! note degeneracy 18, 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 10 and resn lys and name hn) (resid 8 and resn val and name hb) 3.400000 1.600000 1.600000 
    or (resid 10 and resn lys and name hn) (resid 10 and resn LYS and name hb*) 
 
! 
! peak name 3dN272
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2620000.000000
! from proton shift 7.174000
! to proton shift 1.404000
! from heavyatom shift 120.083000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 272
! 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 11 and resn ala and name hn) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 11 and resn ala and name hn) (resid 11 and resn ala and name hb#) 
    or (resid 11 and resn ala and name hn) (resid 11 and resn ala and name hb#) 
    or (resid 11 and resn ala and name hn) (resid 12 and resn ARG and name hb*) 
 
! 
! peak name 3dN273
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 758000.000000
! from proton shift 7.174000
! to proton shift 1.729000
! from heavyatom shift 120.092000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 273
! 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 11 and resn ala and name hn) (resid 10 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN274
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 658000.000000
! from proton shift 8.067000
! to proton shift 4.041000
! from heavyatom shift 117.410000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 274
! note degeneracy 56, 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 79 and resn lys and name hn) (resid 80 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN275
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 548000.000000
! from proton shift 8.455000
! to proton shift 1.979000
! from heavyatom shift 115.657000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 275
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 10 and resn lys and name hn) (resid 7 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 10 and resn lys and name hn) (resid 9 and resn LEU and name hb*) 
    or (resid 10 and resn lys and name hn) (resid 10 and resn LYS and name hb*) 
 
! 
! peak name 3dN276
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1740000.000000
! from proton shift 8.656000
! to proton shift 1.255000
! from heavyatom shift 120.229000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 276
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn ala and name hn) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 13 and resn ala and name hn) (resid 13 and resn ala and name hb#) 
 
! 
! peak name 3dN277
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 543000.000000
! from proton shift 8.655000
! to proton shift 4.328000
! from heavyatom shift 120.226000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 277
! 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 13 and resn ala and name hn) (resid 13 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN278
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 769000.000000
! from proton shift 7.639000
! to proton shift 4.913000
! from heavyatom shift 121.631000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 278
! 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 18 and resn lys and name hn) (resid 18 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN28
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 229000.000000
! from proton shift 8.752000
! to proton shift 7.635000
! from heavyatom shift 114.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 28
! 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 17 and resn gly and name hn) (resid 18 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN280
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 902000.000000
! from proton shift 8.753000
! to proton shift 3.899000
! from heavyatom shift 114.211000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 280
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 17 and resn gly and name hn) (resid 16 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN282
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 648000.000000
! from proton shift 7.639000
! to proton shift 3.735000
! from heavyatom shift 121.626000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 282
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn lys and name hn) (resid 17 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
    or (resid 18 and resn lys and name hn) (resid 19 and resn PRO and name hd*) 
 
! 
! peak name 3dN283
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1360000.000000
! from proton shift 7.638000
! to proton shift 1.899000
! from heavyatom shift 121.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 283
! note degeneracy 68, 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 18 and resn lys and name hn) (resid 18 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN284
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1460000.000000
! from proton shift 7.638000
! to proton shift 1.610000
! from heavyatom shift 121.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 284
! note degeneracy 46, 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 18 and resn lys and name hn) (resid 18 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN285
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 359000.000000
! from proton shift 7.639000
! to proton shift 1.414000
! from heavyatom shift 121.638000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 285
! 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 18 and resn lys and name hn) (resid 18 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN286
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 305000.000000
! from proton shift 8.517000
! to proton shift 3.398000
! from heavyatom shift 120.111000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 286
! 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 25 and resn lys and name hn) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN287
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1590000.000000
! from proton shift 7.960000
! to proton shift 4.115000
! from heavyatom shift 118.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 287
! note degeneracy 52, 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 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn arg and name hn) (resid 23 and resn SER and name hb*) 3.400000 1.600000 1.600000 
    or (resid 53 and resn leu and name hn) (resid 49 and resn glu and name ha) 
    or (resid 53 and resn leu and name hn) (resid 50 and resn leu and name ha) 
    or (resid 53 and resn leu and name hn) (resid 52 and resn glu and name ha) 
    or (resid 53 and resn leu and name hn) (resid 53 and resn leu and name ha) 
 
! 
! peak name 3dN288
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 542000.000000
! from proton shift 8.515000
! to proton shift 3.669000
! from heavyatom shift 120.162000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 288
! 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 25 and resn lys and name hn) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN289
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 259000.000000
! from proton shift 7.973000
! to proton shift 3.661000
! from heavyatom shift 118.596000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 289
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn arg and name hn) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000 
    or (resid 53 and resn leu and name hn) (resid 51 and resn met and name ha) 
 
! 
! peak name 3dN29
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 472000.000000
! from proton shift 8.751000
! to proton shift 3.745000
! from heavyatom shift 114.227000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 29
! 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 17 and resn gly and name hn) (resid 17 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN290
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 526000.000000
! from proton shift 7.972000
! to proton shift 1.688000
! from heavyatom shift 118.623000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 290
! 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 26 and resn arg and name hn) (resid 26 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN291
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 268000.000000
! from proton shift 7.733000
! to proton shift 4.092000
! from heavyatom shift 123.056000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 291
! 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 0, with previousLikelihood range 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 ile and name hn) (resid 26 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN292
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 538000.000000
! from proton shift 7.734000
! to proton shift 3.454000
! from heavyatom shift 123.062000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 292
! 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 ile and name hn) (resid 27 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN293
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 226000.000000
! from proton shift 8.324000
! to proton shift 3.460000
! from heavyatom shift 120.062000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 293
! 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 28 and resn leu and name hn) (resid 27 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN295
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 535000.000000
! from proton shift 8.324000
! to proton shift 3.817000
! from heavyatom shift 120.097000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 295
! 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 28 and resn leu and name hn) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN296
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 322000.000000
! from proton shift 8.088000
! to proton shift 3.835000
! from heavyatom shift 121.011000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 296
! 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 29 and resn ala and name hn) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN297
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1110000.000000
! from proton shift 8.327000
! to proton shift 1.472000
! from heavyatom shift 120.138000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 297
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 28 and resn leu and name hn) (resid 28 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 28 and resn leu and name hn) (resid 28 and resn leu and name hg) 
 
! 
! peak name 3dN298
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2800000.000000
! from proton shift 8.092000
! to proton shift 1.499000
! from heavyatom shift 121.115000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 298
! note degeneracy 72, 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 ala and name hn) (resid 29 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN299
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 625000.000000
! from proton shift 8.413000
! to proton shift 4.171000
! from heavyatom shift 119.508000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 299
! note degeneracy 50, 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 85 and resn his and name hn) (resid 84 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 31 and resn leu and name hn) (resid 29 and resn ala and name ha) 
    or (resid 31 and resn leu and name hn) (resid 31 and resn leu and name ha) 
 
! 
! peak name 3dN3
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 436000.000000
! from proton shift 8.865000
! to proton shift 3.950000
! from heavyatom shift 131.001000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 3
! 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 40 and resn leu and name hn) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN30
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 321000.000000
! from proton shift 8.543000
! to proton shift 3.906000
! from heavyatom shift 127.775000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 30
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ile and name hn) (resid 16 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN300
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 663000.000000
! from proton shift 8.306000
! to proton shift 4.026000
! from heavyatom shift 118.954000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 300
! note degeneracy 52, 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 gln and name hn) (resid 32 and resn gln and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN301
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 629000.000000
! from proton shift 8.417000
! to proton shift 0.919000
! from heavyatom shift 119.499000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 301
! note degeneracy 46, 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 31 and resn leu and name hn) (resid 31 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN302
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1440000.000000
! from proton shift 8.306000
! to proton shift 2.254000
! from heavyatom shift 118.967000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 302
! 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 32 and resn gln and name hn) (resid 32 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN303
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1040000.000000
! from proton shift 8.415000
! to proton shift 2.116000
! from heavyatom shift 119.479000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 303
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 85 and resn his and name hn) (resid 84 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN304
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 817000.000000
! from proton shift 8.513000
! to proton shift 3.808000
! from heavyatom shift 121.260000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 304
! 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 43 and resn arg and name hn) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN305
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 846000.000000
! from proton shift 8.710000
! to proton shift 3.994000
! from heavyatom shift 116.629000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 305
! note degeneracy 50, 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 44 and resn gln and name hn) (resid 44 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 44 and resn gln and name hn) (resid 45 and resn GLY and name ha*) 
 
! 
! peak name 3dN306
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1600000.000000
! from proton shift 7.863000
! to proton shift 4.080000
! from heavyatom shift 107.608000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 306
! note degeneracy 30, 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 45 and resn gly and name hn) (resid 46 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN307
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1420000.000000
! from proton shift 7.862000
! to proton shift 3.976000
! from heavyatom shift 107.595000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 307
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn gly and name hn) (resid 44 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 45 and resn gly and name hn) (resid 45 and resn GLY and name ha*) 
 
! 
! peak name 3dN308
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 569000.000000
! from proton shift 8.005000
! to proton shift 3.400000
! from heavyatom shift 119.926000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 308
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 61 and resn gln and name hn) (resid 62 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN309
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 668000.000000
! from proton shift 8.811000
! to proton shift 3.126000
! from heavyatom shift 127.753000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 309
! 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 4 and resn trp and name hn) (resid 4 and resn TRP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN31
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 447000.000000
! from proton shift 8.541000
! to proton shift 1.573000
! from heavyatom shift 127.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 31
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn ile and name hn) (resid 16 and resn ile and name hg12) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN310
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2300000.000000
! from proton shift 7.811000
! to proton shift 3.934000
! from heavyatom shift 108.896000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 310
! 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 82 and resn gly and name hn) (resid 82 and resn GLY and name ha*) 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 3dN311
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 673000.000000
! from proton shift 7.830000
! to proton shift 4.379000
! from heavyatom shift 112.550000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 311
! 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 ser and name hn) (resid 60 and resn ser and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN312
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 634000.000000
! from proton shift 7.829000
! to proton shift 4.063000
! from heavyatom shift 112.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 312
! note degeneracy 29, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 60 and resn ser and name hn) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000 
    or (resid 60 and resn ser and name hn) (resid 59 and resn glu and name ha) 
    or (resid 60 and resn ser and name hn) (resid 60 and resn SER and name hb*) 
 
! 
! peak name 3dN313
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 582000.000000
! from proton shift 8.227000
! to proton shift 4.532000
! from heavyatom shift 112.866000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 313
! 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 63 and resn ser and name hn) (resid 62 and resn pro and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN315
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1190000.000000
! from proton shift 7.768000
! to proton shift 4.071000
! from heavyatom shift 115.903000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 315
! note degeneracy 87, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 59 and resn glu and name hn) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000 
    or (resid 59 and resn glu and name hn) (resid 59 and resn glu and name ha) 
    or (resid 59 and resn glu and name hn) (resid 60 and resn SER and name hb*) 
 
! 
! peak name 3dN316
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 3430000.000000
! from proton shift 7.767000
! to proton shift 2.131000
! from heavyatom shift 115.907000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 316
! note degeneracy 81, 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 59 and resn glu and name hn) (resid 58 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
    or (resid 59 and resn glu and name hn) (resid 59 and resn GLU and name hb*) 
 
! 
! peak name 3dN317
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1180000.000000
! from proton shift 7.766000
! to proton shift 2.317000
! from heavyatom shift 115.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 317
! note degeneracy 51, 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 59 and resn glu and name hn) (resid 58 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 59 and resn glu and name hn) (resid 59 and resn GLU and name hb*) 
    or (resid 59 and resn glu and name hn) (resid 59 and resn GLU and name hg*) 
 
! 
! peak name 3dN318
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1600000.000000
! from proton shift 8.779000
! to proton shift 2.599000
! from heavyatom shift 116.323000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 318
! 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 41 and resn asp and name hn) (resid 41 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN319
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 664000.000000
! from proton shift 7.821000
! to proton shift 4.716000
! from heavyatom shift 116.432000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 319
! 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 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 64 and resn ser and name hn) (resid 64 and resn ser and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN32
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1940000.000000
! from proton shift 8.062000
! to proton shift 4.193000
! from heavyatom shift 124.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 32
! 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 15 and resn val and name hn) (resid 14 and resn ser and name ha) 3.400000 1.600000 1.600000 
    or (resid 15 and resn val and name hn) (resid 15 and resn val and name ha) 
 
! 
! peak name 3dN320
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 539000.000000
! from proton shift 7.820000
! to proton shift 4.280000
! from heavyatom shift 116.454000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 320
! 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 64 and resn ser and name hn) (resid 64 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN321
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1340000.000000
! from proton shift 7.456000
! to proton shift 4.121000
! from heavyatom shift 116.896000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 321
! note degeneracy 27, 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn glu and name hn) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 52 and resn glu and name hn) (resid 50 and resn leu and name ha) 
    or (resid 52 and resn glu and name hn) (resid 52 and resn glu and name ha) 
    or (resid 52 and resn glu and name hn) (resid 53 and resn leu and name ha) 
 
! 
! peak name 3dN322
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2590000.000000
! from proton shift 7.456000
! to proton shift 2.185000
! from heavyatom shift 116.887000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 322
! 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 52 and resn glu and name hn) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN323
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 678000.000000
! from proton shift 7.456000
! to proton shift 2.417000
! from heavyatom shift 116.895000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 323
! 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 52 and resn glu and name hn) (resid 52 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN324
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 184000.000000
! from proton shift 8.065000
! to proton shift 2.861000
! from heavyatom shift 117.321000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 324
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name he*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN325
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1930000.000000
! from proton shift 8.065000
! to proton shift 1.391000
! from heavyatom shift 117.379000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 325
! 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 79 and resn lys and name hn) (resid 79 and resn LYS and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN326
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 607000.000000
! from proton shift 8.054000
! to proton shift 3.673000
! from heavyatom shift 118.964000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 326
! 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 51 and resn met and name hn) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN327
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 340000.000000
! from proton shift 8.542000
! to proton shift 1.239000
! from heavyatom shift 127.715000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 327
! 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 16 and resn ile and name hn) (resid 16 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN328
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 626000.000000
! from proton shift 8.292000
! to proton shift 4.052000
! from heavyatom shift 124.035000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 328
! 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 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 57 and resn tyr and name ha) 3.400000 1.600000 1.600000 
    or (resid 57 and resn tyr and name hn) (resid 60 and resn SER and name hb*) 
 
! 
! peak name 3dN329
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 955000.000000
! from proton shift 8.292000
! to proton shift 3.285000
! from heavyatom shift 124.049000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 329
! 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 57 and resn tyr and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN33
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 623000.000000
! from proton shift 6.950000
! to proton shift 8.763000
! from heavyatom shift 120.420000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 33
! 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 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 glu and name hn) (resid 41 and resn asp and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN330
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 950000.000000
! from proton shift 8.291000
! to proton shift 3.112000
! from heavyatom shift 124.034000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 330
! 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 57 and resn tyr and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN331
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 515000.000000
! from proton shift 8.154000
! to proton shift 1.205000
! from heavyatom shift 121.873000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 331
! 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
! 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 leu and name hn) (resid 46 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN332
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1440000.000000
! from proton shift 8.497000
! to proton shift 1.841000
! from heavyatom shift 121.856000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 332
! note degeneracy 54, 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 20 and resn ile and name hn) (resid 19 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
    or (resid 20 and resn ile and name hn) (resid 20 and resn ile and name hb) 
 
! 
! peak name 3dN333
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 787000.000000
! from proton shift 8.266000
! to proton shift 4.298000
! from heavyatom shift 121.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 333
! 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 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 asp and name ha) 3.400000 1.600000 1.600000 
    or (resid 55 and resn asp and name hn) (resid 55 and resn asp and name ha) 
 
! 
! peak name 3dN334
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1080000.000000
! from proton shift 8.265000
! to proton shift 2.941000
! from heavyatom shift 121.812000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 334
! 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 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 ASP and name hb*) 3.400000 1.600000 1.600000 
    or (resid 55 and resn asp and name hn) (resid 55 and resn ASP and name hb*) 
 
! 
! peak name 3dN335
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 524000.000000
! from proton shift 8.282000
! to proton shift 3.468000
! from heavyatom shift 121.680000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 335
! 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 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 54 and resn ile and name ha) 3.400000 1.600000 1.600000 
    or (resid 55 and resn asp and name hn) (resid 54 and resn ile and name ha) 
 
! 
! peak name 3dN336
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 569000.000000
! from proton shift 8.286000
! to proton shift 0.516000
! from heavyatom shift 121.628000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 336
! note degeneracy 6, 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 hn) (resid 54 and resn ile and name hg12) 3.400000 1.600000 1.600000 
    or (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hg12) 
 
! 
! peak name 3dN337
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 788000.000000
! from proton shift 8.343000
! to proton shift 4.166000
! from heavyatom shift 120.520000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 337
! note degeneracy 58, 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 84 and resn glu and name hn) (resid 84 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN338
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 376000.000000
! from proton shift 7.734000
! to proton shift 0.202000
! from heavyatom shift 123.060000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 338
! 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
! 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 ile and name hn) (resid 27 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN339
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 439000.000000
! from proton shift 7.948000
! to proton shift 0.393000
! from heavyatom shift 116.671000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 339
! 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 81 and resn leu and name hn) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN34
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1060000.000000
! from proton shift 6.950000
! to proton shift 8.508000
! from heavyatom shift 120.426000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 34
! 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 42 and resn glu and name hn) (resid 43 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN340
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 169000.000000
! from proton shift 8.091000
! to proton shift 0.351000
! from heavyatom shift 121.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 340
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 29 and resn ala and name hn) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN341
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 112000.000000
! from proton shift 7.732000
! to proton shift 0.358000
! from heavyatom shift 123.112000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 341
! 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 ile and name hn) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN342
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 377000.000000
! from proton shift 7.735000
! to proton shift 0.523000
! from heavyatom shift 123.108000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 342
! 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 27 and resn ile and name hn) (resid 27 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN343
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 411000.000000
! from proton shift 8.003000
! to proton shift 0.501000
! from heavyatom shift 119.941000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 343
! 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 34 and resn ile and name hn) (resid 34 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN344
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 408000.000000
! from proton shift 8.327000
! to proton shift 0.526000
! from heavyatom shift 120.099000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 344
! 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 28 and resn leu and name hn) (resid 27 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN347
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 319000.000000
! from proton shift 7.734000
! to proton shift 0.660000
! from heavyatom shift 123.082000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 347
! 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
! 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 ile and name hn) (resid 27 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN348
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 8.286000
! to proton shift 0.198000
! from heavyatom shift 121.597000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 348
! note degeneracy 4, 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 54 and resn ile and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dN35
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 731000.000000
! from proton shift 8.658000
! to proton shift 6.981000
! from heavyatom shift 120.240000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 35
! 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 13 and resn ala and name hn) (resid 14 and resn ser and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN350
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 123000.000000
! from proton shift 8.322000
! to proton shift 0.179000
! from heavyatom shift 120.151000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 350
! 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 28 and resn leu and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN351
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 388000.000000
! from proton shift 8.387000
! to proton shift 0.743000
! from heavyatom shift 116.520000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 351
! 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 21 and resn gly and name hn) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 21 and resn gly and name hn) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dN352
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 440000.000000
! from proton shift 8.779000
! to proton shift 0.919000
! from heavyatom shift 116.320000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 352
! note degeneracy 46, 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 41 and resn asp and name hn) (resid 40 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN353
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 380000.000000
! from proton shift 8.543000
! to proton shift 0.949000
! from heavyatom shift 119.355000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 353
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn arg and name hn) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 74 and resn arg and name hn) (resid 73 and resn leu and name hg) 
 
! 
! peak name 3dN355
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 6.955000
! to proton shift 0.887000
! from heavyatom shift 120.419000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 355
! 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 0, with previousLikelihood range 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 glu and name hn) (resid 40 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN357
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 506000.000000
! from proton shift 6.952000
! to proton shift 2.604000
! from heavyatom shift 120.407000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 357
! 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 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 glu and name hn) (resid 41 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN358
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 308000.000000
! from proton shift 6.950000
! to proton shift 4.359000
! from heavyatom shift 120.396000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 358
! 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 42 and resn glu and name hn) (resid 41 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN36
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1330000.000000
! from proton shift 8.644000
! to proton shift 8.051000
! from heavyatom shift 120.287000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 36
! note degeneracy 48, 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn ala and name hn) (resid 12 and resn arg and name hn) 3.400000 1.600000 1.600000 
    or (resid 13 and resn ala and name hn) (resid 15 and resn val and name hn) 
    or (resid 50 and resn leu and name hn) (resid 51 and resn met and name hn) 
    or (resid 50 and resn leu and name hn) (resid 48 and resn his and name hn) 
 
! 
! peak name 3dN360
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1860000.000000
! from proton shift 8.345000
! to proton shift 4.377000
! from heavyatom shift 120.592000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 360
! 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 84 and resn glu and name hn) (resid 83 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN361
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 279000.000000
! from proton shift 7.736000
! to proton shift 4.627000
! from heavyatom shift 123.100000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 361
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 27 and resn ile and name hn) (resid 24 and resn tyr and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN362
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 297000.000000
! from proton shift 7.811000
! to proton shift 1.562000
! from heavyatom shift 108.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 362
! 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 0, with previousLikelihood range 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 83 and resn leu and name hg) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN363
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 383000.000000
! from proton shift 7.811000
! to proton shift 1.434000
! from heavyatom shift 108.890000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 363
! note degeneracy 22, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 82 and resn gly and name hn) (resid 80 and resn ala and name hb#) 3.650000 1.850000 1.850000 
    or (resid 82 and resn gly and name hn) (resid 81 and resn LEU and name hb*) 
    or (resid 82 and resn gly and name hn) (resid 81 and resn leu and name hg) 
 
! 
! peak name 3dN364
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 346000.000000
! from proton shift 7.812000
! to proton shift 4.198000
! from heavyatom shift 108.912000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 364
! 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 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 3dN366
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 140000.000000
! from proton shift 7.392000
! to proton shift 4.036000
! from heavyatom shift 115.222000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 366
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 37 and resn ser and name hn) (resid 33 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN367
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 840000.000000
! from proton shift 8.635000
! to proton shift 8.176000
! from heavyatom shift 120.308000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 367
! 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 0, with previousLikelihood range 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 50 and resn leu and name hn) (resid 49 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN368
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 7.956000
! to proton shift 2.401000
! from heavyatom shift 118.505000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 368
! note degeneracy 32, 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 53 and resn leu and name hn) (resid 52 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN369
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 7.395000
! to proton shift 3.209000
! from heavyatom shift 115.218000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 369
! 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 0, with previousLikelihood range 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 ser and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN37
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 883000.000000
! from proton shift 7.174000
! to proton shift 8.051000
! from heavyatom shift 120.086000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 37
! 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 11 and resn ala and name hn) (resid 12 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN370
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 828000.000000
! from proton shift 8.514000
! to proton shift 1.901000
! from heavyatom shift 114.760000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 370
! note degeneracy 33, 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 7 and resn glu and name hn) (resid 7 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN371
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 289000.000000
! from proton shift 8.515000
! to proton shift 1.740000
! from heavyatom shift 114.823000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 371
! 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 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 glu and name hn) (resid 6 and resn PRO and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN373
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1330000.000000
! from proton shift 7.828000
! to proton shift 3.945000
! from heavyatom shift 112.528000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 373
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ser and name hn) (resid 60 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN374
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 523000.000000
! from proton shift 8.228000
! to proton shift 1.932000
! from heavyatom shift 112.875000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 374
! note degeneracy 39, 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 63 and resn ser and name hn) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN375
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 285000.000000
! from proton shift 7.174000
! to proton shift 3.477000
! from heavyatom shift 120.096000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 375
! 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 ala and name hn) (resid 8 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN376
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 330000.000000
! from proton shift 8.540000
! to proton shift 3.917000
! from heavyatom shift 119.333000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 376
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 arg and name hn) (resid 71 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN377
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1190000.000000
! from proton shift 8.184000
! to proton shift 4.110000
! from heavyatom shift 119.321000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 377
! note degeneracy 28, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 49 and resn glu and name hn) (resid 45 and resn GLY 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) 
    or (resid 49 and resn glu and name hn) (resid 50 and resn leu and name ha) 
 
! 
! peak name 3dN378
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 833000.000000
! from proton shift 8.307000
! to proton shift 8.399000
! from heavyatom shift 118.914000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 378
! 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 32 and resn gln and name hn) (resid 31 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN379
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 156000.000000
! from proton shift 7.219000
! to proton shift 1.415000
! from heavyatom shift 121.785000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 379
! 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 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
! 
assign (resid 8 and resn val and name hn) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 8 and resn val and name hn) (resid 11 and resn ala and name hb#) 
    or (resid 8 and resn val and name hn) (resid 11 and resn ala and name hb#) 
 
! 
! peak name 3dN38
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 549000.000000
! from proton shift 7.174000
! to proton shift 8.443000
! from heavyatom shift 120.094000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ala and name hn) (resid 10 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN381
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 7.215000
! to proton shift 2.334000
! from heavyatom shift 121.825000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 381
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 8 and resn val and name hn) (resid 6 and resn PRO and name hg*) 3.400000 1.600000 1.600000 
    or (resid 8 and resn val and name hn) (resid 6 and resn PRO and name hb*) 
 
! 
! peak name 3dN382
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 7.454000
! to proton shift 1.438000
! from heavyatom shift 116.928000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 382
! 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 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 glu and name hn) (resid 53 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 52 and resn glu and name hn) (resid 77 and resn LEU and name hd*) 
 
! 
! peak name 3dN383
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 100000.000000
! from proton shift 7.949000
! to proton shift 1.219000
! from heavyatom shift 116.657000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 383
! 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 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 hn) (resid 77 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN385
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 199000.000000
! from proton shift 7.454000
! to proton shift 3.669000
! from heavyatom shift 116.889000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 385
! 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 52 and resn glu and name hn) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN386
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 85300.000000
! from proton shift 7.218000
! to proton shift 4.122000
! from heavyatom shift 121.773000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 386
! note degeneracy 27, 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 8 and resn val and name hn) (resid 6 and resn pro and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN387
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 204000.000000
! from proton shift 7.170000
! to proton shift 3.808000
! from heavyatom shift 120.093000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 387
! 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 11 and resn ala and name hn) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000 
    or (resid 11 and resn ala and name hn) (resid 9 and resn leu and name ha) 
 
! 
! peak name 3dN388
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 439000.000000
! from proton shift 8.179000
! to proton shift 8.341000
! from heavyatom shift 122.771000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 388
! 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 69 and resn ala and name hn) (resid 68 and resn asn and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN390
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 92500.000000
! from proton shift 7.603000
! to proton shift 8.534000
! from heavyatom shift 121.783000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 390
! 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 72 and resn glu and name hn) (resid 74 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN391
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 144000.000000
! from proton shift 8.540000
! to proton shift 8.061000
! from heavyatom shift 119.279000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 391
! note degeneracy 16, 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 74 and resn arg and name hn) (resid 77 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN392
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 748000.000000
! from proton shift 7.952000
! to proton shift 7.450000
! from heavyatom shift 118.493000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 392
! 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 53 and resn leu and name hn) (resid 52 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN393
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 435000.000000
! from proton shift 7.219000
! to proton shift -0.073000
! from heavyatom shift 121.770000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 393
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 val and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN394
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1640000.000000
! from proton shift 8.709000
! to proton shift 2.255000
! from heavyatom shift 116.629000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 394
! 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 44 and resn gln and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 44 and resn gln and name hn) (resid 44 and resn GLN and name hb*) 
 
! 
! peak name 3dN395
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1020000.000000
! from proton shift 8.152000
! to proton shift 2.052000
! from heavyatom shift 121.884000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 395
! 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 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
! 
assign (resid 46 and resn leu and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 46 and resn leu and name hn) (resid 46 and resn LEU and name hb*) 
    or (resid 46 and resn leu and name hn) (resid 46 and resn leu and name hg) 
 
! 
! peak name 3dN396
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1140000.000000
! from proton shift 8.184000
! to proton shift 2.314000
! from heavyatom shift 119.308000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 396
! note degeneracy 17, 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 49 and resn glu and name hn) (resid 49 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN397
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1890000.000000
! from proton shift 8.055000
! to proton shift 2.208000
! from heavyatom shift 118.945000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 397
! note degeneracy 76, 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 51 and resn met and name hn) (resid 52 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN398
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 987000.000000
! from proton shift 7.689000
! to proton shift 1.956000
! from heavyatom shift 118.244000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 398
! note degeneracy 34, 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 33 and resn arg and name hn) (resid 33 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN399
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 221000.000000
! from proton shift 7.424000
! to proton shift -0.072000
! from heavyatom shift 108.537000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 399
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 thr and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN4
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1170000.000000
! from proton shift 8.780000
! to proton shift 4.367000
! from heavyatom shift 116.329000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 4
! 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 41 and resn asp and name hn) (resid 41 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN40
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 771000.000000
! from proton shift 8.004000
! to proton shift 7.682000
! from heavyatom shift 119.928000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 40
! 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 34 and resn ile and name hn) (resid 33 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN400
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 206000.000000
! from proton shift 8.028000
! to proton shift -0.072000
! from heavyatom shift 119.591000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 400
! 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 9 and resn leu and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN402
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1340000.000000
! from proton shift 7.733000
! to proton shift 2.103000
! from heavyatom shift 123.095000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 402
! note degeneracy 25, 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 27 and resn ile and name hn) (resid 27 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN403
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 462000.000000
! from proton shift 7.736000
! to proton shift 1.934000
! from heavyatom shift 123.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 403
! note degeneracy 37, 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 27 and resn ile and name hn) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 27 and resn ile and name hn) (resid 26 and resn ARG and name hg*) 
 
! 
! peak name 3dN404
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 620000.000000
! from proton shift 7.733000
! to proton shift 1.778000
! from heavyatom shift 123.076000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 404
! 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 27 and resn ile and name hn) (resid 27 and resn ile and name hg12) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN405
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 202000.000000
! from proton shift 7.735000
! to proton shift 1.459000
! from heavyatom shift 123.071000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 405
! 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 27 and resn ile and name hn) (resid 28 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN406
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 199000.000000
! from proton shift 7.733000
! to proton shift 0.833000
! from heavyatom shift 123.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 406
! note degeneracy 18, 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 27 and resn ile and name hn) (resid 25 and resn LYS and name hb*) 3.650000 1.850000 1.850000 
    or (resid 27 and resn ile and name hn) (resid 28 and resn LEU and name hd*) 
 
! 
! peak name 3dN407
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 451000.000000
! from proton shift 8.100000
! to proton shift 3.906000
! from heavyatom shift 123.029000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 407
! 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 80 and resn ala and name hn) (resid 77 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN408
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 8.183000
! to proton shift 3.168000
! from heavyatom shift 122.775000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 408
! 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 69 and resn ala and name hn) (resid 70 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN41
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 992000.000000
! from proton shift 8.027000
! to proton shift 8.410000
! from heavyatom shift 119.770000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 41
! 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 0, with previousLikelihood range 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 lys and name hn) (resid 31 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN410
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1830000.000000
! from proton shift 8.811000
! to proton shift 4.263000
! from heavyatom shift 127.740000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 410
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 4 and resn trp and name hn) (resid 3 and resn val and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN411
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 544000.000000
! from proton shift 8.810000
! to proton shift 0.974000
! from heavyatom shift 127.732000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 411
! 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 4 and resn trp and name hn) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN412
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1550000.000000
! from proton shift 8.543000
! to proton shift 4.180000
! from heavyatom shift 127.729000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 412
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 16 and resn ile and name hn) (resid 14 and resn ser and name ha) 3.400000 1.600000 1.600000 
    or (resid 16 and resn ile and name hn) (resid 15 and resn val and name ha) 
    or (resid 16 and resn ile and name hn) (resid 17 and resn GLY and name ha*) 
 
! 
! peak name 3dN413
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 140000.000000
! from proton shift 8.984000
! to proton shift 3.836000
! from heavyatom shift 125.534000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 413
! 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 38 and resn asn and name hn) (resid 37 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN414
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 334000.000000
! from proton shift 8.064000
! to proton shift 4.031000
! from heavyatom shift 124.975000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 414
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 15 and resn val and name hn) (resid 14 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN415
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 339000.000000
! from proton shift 8.375000
! to proton shift 4.201000
! from heavyatom shift 124.229000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 415
! 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 24 and resn tyr and name hn) (resid 23 and resn ser and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN416
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 326000.000000
! from proton shift 8.377000
! to proton shift 4.117000
! from heavyatom shift 124.206000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 416
! note degeneracy 26, 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 24 and resn tyr and name hn) (resid 23 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN417
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 191000.000000
! from proton shift 8.369000
! to proton shift 4.361000
! from heavyatom shift 124.242000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 417
! 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 24 and resn tyr and name hn) (resid 23 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN418
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 749000.000000
! from proton shift 8.373000
! to proton shift 3.476000
! from heavyatom shift 124.214000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 418
! 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 24 and resn tyr and name hn) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN419
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 738000.000000
! from proton shift 8.374000
! to proton shift 3.383000
! from heavyatom shift 124.213000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 419
! 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 24 and resn tyr and name hn) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN420
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 111000.000000
! from proton shift 8.371000
! to proton shift 1.914000
! from heavyatom shift 124.171000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 420
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 24 and resn tyr and name hn) (resid 25 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 24 and resn tyr and name hn) (resid 26 and resn ARG and name hb*) 
 
! 
! peak name 3dN421
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 111000.000000
! from proton shift 8.374000
! to proton shift 2.116000
! from heavyatom shift 124.197000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 421
! note degeneracy 25, 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 24 and resn tyr and name hn) (resid 22 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN422
! bounds 5.000000 1.800000
! likelihood 0.930000
! intensity 198000.000000
! from proton shift 8.377000
! to proton shift 0.741000
! from heavyatom shift 124.177000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 422
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 24 and resn tyr and name hn) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 24 and resn tyr and name hn) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dN423
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 282000.000000
! from proton shift 8.293000
! to proton shift 3.464000
! from heavyatom shift 124.063000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 423
! 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 57 and resn tyr and name hn) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN424
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 144000.000000
! from proton shift 8.294000
! to proton shift 2.303000
! from heavyatom shift 124.122000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 424
! 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 0, with previousLikelihood range 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 58 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN425
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 148000.000000
! from proton shift 8.290000
! to proton shift 2.130000
! from heavyatom shift 124.067000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 425
! 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 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 57 and resn tyr and name hn) (resid 58 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN426
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 598000.000000
! from proton shift 8.290000
! to proton shift 1.855000
! from heavyatom shift 124.021000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 426
! 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 0, with previousLikelihood range 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 LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN427
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 331000.000000
! from proton shift 8.291000
! to proton shift 1.683000
! from heavyatom shift 124.057000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 427
! 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 57 and resn tyr and name hn) (resid 56 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN428
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 309000.000000
! from proton shift 8.291000
! to proton shift 0.927000
! from heavyatom shift 124.010000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 428
! 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 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 57 and resn tyr and name hn) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 57 and resn tyr and name hn) (resid 54 and resn ile and name hg2#) 
    or (resid 57 and resn tyr and name hn) (resid 56 and resn LEU and name hd*) 
 
! 
! peak name 3dN43
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 562000.000000
! from proton shift 8.105000
! to proton shift 8.338000
! from heavyatom shift 119.686000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 43
! 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 83 and resn leu and name hn) (resid 84 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN431
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 156000.000000
! from proton shift 8.097000
! to proton shift 1.235000
! from heavyatom shift 123.000000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 431
! 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 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 hn) (resid 75 and resn thr and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN432
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 758000.000000
! from proton shift 7.863000
! to proton shift 2.253000
! from heavyatom shift 107.619000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 432
! 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 45 and resn gly and name hn) (resid 44 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN433
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 618000.000000
! from proton shift 7.861000
! to proton shift 2.059000
! from heavyatom shift 107.620000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 433
! 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 45 and resn gly and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 45 and resn gly and name hn) (resid 44 and resn GLN and name hg*) 
    or (resid 45 and resn gly and name hn) (resid 46 and resn LEU and name hb*) 
 
! 
! peak name 3dN434
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 293000.000000
! from proton shift 7.862000
! to proton shift 1.877000
! from heavyatom shift 107.618000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 434
! note degeneracy 31, 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 45 and resn gly and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN435
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 7.859000
! to proton shift 2.659000
! from heavyatom shift 107.598000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 435
! 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 45 and resn gly and name hn) (resid 44 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN437
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 402000.000000
! from proton shift 7.425000
! to proton shift 0.845000
! from heavyatom shift 108.546000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 437
! 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 0, with previousLikelihood range 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 thr and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN439
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 939000.000000
! from proton shift 7.829000
! to proton shift 2.121000
! from heavyatom shift 112.535000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 439
! 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 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 60 and resn ser and name hn) (resid 59 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN44
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 895000.000000
! from proton shift 8.107000
! to proton shift 7.791000
! from heavyatom shift 119.666000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 44
! 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 0, with previousLikelihood range 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 83 and resn leu and name hn) (resid 82 and resn gly and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN440
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 162000.000000
! from proton shift 8.231000
! to proton shift 2.395000
! from heavyatom shift 112.873000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 440
! note degeneracy 17, with previousLikelihood range 0.900000  .. 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 63 and resn ser and name hn) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN441
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 133000.000000
! from proton shift 8.224000
! to proton shift 1.152000
! from heavyatom shift 112.896000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 441
! 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 63 and resn ser and name hn) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN442
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 970000.000000
! from proton shift 6.991000
! to proton shift 4.023000
! from heavyatom shift 113.427000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 442
! 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 14 and resn ser and name hn) (resid 14 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN443
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 274000.000000
! from proton shift 6.992000
! to proton shift 1.249000
! from heavyatom shift 113.456000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 443
! 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 0, with previousLikelihood range 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 ser and name hn) (resid 13 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN444
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 337000.000000
! from proton shift 8.757000
! to proton shift 0.901000
! from heavyatom shift 114.228000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 444
! 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 0, with previousLikelihood range 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 gly and name hn) (resid 16 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN445
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 197000.000000
! from proton shift 8.513000
! to proton shift 3.396000
! from heavyatom shift 114.795000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 445
! 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 7 and resn glu and name hn) (resid 6 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN45
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 794000.000000
! from proton shift 8.028000
! to proton shift 7.203000
! from heavyatom shift 119.599000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 45
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 9 and resn leu and name hn) (resid 8 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN451
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 747000.000000
! from proton shift 8.455000
! to proton shift 1.600000
! from heavyatom shift 115.670000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 451
! note degeneracy 22, 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 10 and resn lys and name hn) (resid 10 and resn LYS and name hd*) 3.400000 1.600000 1.600000 
    or (resid 10 and resn lys and name hn) (resid 12 and resn ARG and name hb*) 
 
! 
! peak name 3dN453
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 658000.000000
! from proton shift 7.357000
! to proton shift 1.848000
! from heavyatom shift 115.833000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 453
! note degeneracy 90, 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 67 and resn leu and name hn) (resid 67 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN455
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 205000.000000
! from proton shift 7.343000
! to proton shift 1.154000
! from heavyatom shift 115.687000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 455
! 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 67 and resn leu and name hn) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 67 and resn leu and name hn) (resid 67 and resn leu and name hg) 
 
! 
! peak name 3dN456
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 168000.000000
! from proton shift 7.353000
! to proton shift 1.004000
! from heavyatom shift 115.809000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 456
! 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 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 67 and resn leu and name hn) (resid 66 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
    or (resid 67 and resn leu and name hn) (resid 67 and resn LEU and name hd*) 
 
! 
! peak name 3dN457
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1540000.000000
! from proton shift 8.778000
! to proton shift 1.730000
! from heavyatom shift 116.336000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 457
! note degeneracy 36, 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 41 and resn asp and name hn) (resid 40 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN458
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 328000.000000
! from proton shift 8.779000
! to proton shift 1.562000
! from heavyatom shift 116.340000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 458
! 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 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 41 and resn asp and name hn) (resid 40 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 41 and resn asp and name hn) (resid 40 and resn leu and name hg) 
 
! 
! peak name 3dN46
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 293000.000000
! from proton shift 8.898000
! to proton shift 7.583000
! from heavyatom shift 120.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 46
! 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 71 and resn arg and name hn) (resid 72 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN460
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 197000.000000
! from proton shift 7.827000
! to proton shift 1.916000
! from heavyatom shift 116.471000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 460
! note degeneracy 70, 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 64 and resn ser and name hn) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
    or (resid 64 and resn ser and name hn) (resid 65 and resn GLU and name hb*) 
 
! 
! peak name 3dN461
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 184000.000000
! from proton shift 7.818000
! to proton shift 1.160000
! from heavyatom shift 116.479000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 461
! 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 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 64 and resn ser and name hn) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN462
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 243000.000000
! from proton shift 7.822000
! to proton shift 4.566000
! from heavyatom shift 116.470000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 462
! 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 64 and resn ser and name hn) (resid 63 and resn ser and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN463
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 503000.000000
! from proton shift 7.753000
! to proton shift 4.048000
! from heavyatom shift 116.670000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 463
! 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 36 and resn asn and name hn) (resid 33 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN465
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 330000.000000
! from proton shift 7.455000
! to proton shift 1.956000
! from heavyatom shift 116.851000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 465
! note degeneracy 34, 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 52 and resn glu and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 52 and resn glu and name hn) (resid 51 and resn MET and name hg*) 
 
! 
! peak name 3dN467
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1370000.000000
! from proton shift 8.710000
! to proton shift 2.060000
! from heavyatom shift 116.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 467
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 44 and resn gln and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 44 and resn gln and name hn) (resid 43 and resn ARG and name hb*) 
    or (resid 44 and resn gln and name hn) (resid 44 and resn GLN and name hg*) 
    or (resid 44 and resn gln and name hn) (resid 46 and resn LEU and name hb*) 
 
! 
! peak name 3dN468
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 828000.000000
! from proton shift 8.709000
! to proton shift 1.875000
! from heavyatom shift 116.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 468
! 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 44 and resn gln and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN47
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 298000.000000
! from proton shift 8.901000
! to proton shift 8.017000
! from heavyatom shift 120.053000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 47
! 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 71 and resn arg and name hn) (resid 70 and resn phe and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN470
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 226000.000000
! from proton shift 8.710000
! to proton shift 0.893000
! from heavyatom shift 116.613000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 470
! note degeneracy 42, 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 gln and name hn) (resid 40 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN471
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 983000.000000
! from proton shift 8.710000
! to proton shift 2.669000
! from heavyatom shift 116.642000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 471
! 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 44 and resn gln and name hn) (resid 44 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN472
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 270000.000000
! from proton shift 8.708000
! to proton shift 3.795000
! from heavyatom shift 116.663000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 472
! 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 44 and resn gln and name hn) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN473
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 312000.000000
! from proton shift 8.709000
! to proton shift 4.366000
! from heavyatom shift 116.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 473
! 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 44 and resn gln and name hn) (resid 41 and resn asp and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN474
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 422000.000000
! from proton shift 8.076000
! to proton shift 4.248000
! from heavyatom shift 116.400000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 474
! 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 66 and resn arg and name hn) (resid 65 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN475
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 459000.000000
! from proton shift 8.077000
! to proton shift 3.936000
! from heavyatom shift 116.413000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 475
! 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 0, with previousLikelihood range 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 66 and resn arg and name hn) (resid 67 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN476
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 8.081000
! to proton shift 2.458000
! from heavyatom shift 116.459000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 476
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 66 and resn arg and name hn) (resid 65 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
    or (resid 66 and resn arg and name hn) (resid 66 and resn ARG and name hd*) 
 
! 
! peak name 3dN477
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 396000.000000
! from proton shift 8.078000
! to proton shift 1.209000
! from heavyatom shift 116.353000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 477
! 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 66 and resn arg and name hn) (resid 66 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN478
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 394000.000000
! from proton shift 8.077000
! to proton shift 1.000000
! from heavyatom shift 116.412000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 478
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 66 and resn arg and name hn) (resid 66 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
    or (resid 66 and resn arg and name hn) (resid 67 and resn LEU and name hd*) 
 
! 
! peak name 3dN479
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 354000.000000
! from proton shift 8.080000
! to proton shift 0.890000
! from heavyatom shift 116.423000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 479
! 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 66 and resn arg and name hn) (resid 66 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN48
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 773000.000000
! from proton shift 8.514000
! to proton shift 8.690000
! from heavyatom shift 121.272000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 48
! 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 arg and name hn) (resid 44 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN480
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 275000.000000
! from proton shift 8.075000
! to proton shift 1.633000
! from heavyatom shift 116.442000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 480
! note degeneracy 46, 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 66 and resn arg and name hn) (resid 66 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN481
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 193000.000000
! from proton shift 8.388000
! to proton shift 1.847000
! from heavyatom shift 116.533000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 481
! 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 0, with previousLikelihood range 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 21 and resn gly and name hn) (resid 20 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN482
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 159000.000000
! from proton shift 7.456000
! to proton shift 0.918000
! from heavyatom shift 116.928000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 482
! 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 0, with previousLikelihood range 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 52 and resn glu and name hn) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 52 and resn glu and name hn) (resid 56 and resn LEU and name hd*) 
 
! 
! peak name 3dN484
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 555000.000000
! from proton shift 8.061000
! to proton shift 1.598000
! from heavyatom shift 117.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 484
! note degeneracy 46, 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 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 12 and resn arg and name hn) (resid 12 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name hd*) 
    or (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name hg*) 
 
! 
! peak name 3dN485
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 271000.000000
! from proton shift 8.034000
! to proton shift 3.865000
! from heavyatom shift 117.829000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 485
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 12 and resn arg and name hn) (resid 14 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN486
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 424000.000000
! from proton shift 7.687000
! to proton shift 1.737000
! from heavyatom shift 118.266000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 486
! 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 0, with previousLikelihood range 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 arg and name hn) (resid 33 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN487
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 137000.000000
! from proton shift 7.684000
! to proton shift 1.512000
! from heavyatom shift 118.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 487
! 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 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 33 and resn arg and name hn) (resid 29 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN489
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 836000.000000
! from proton shift 7.691000
! to proton shift 2.249000
! from heavyatom shift 118.224000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 489
! 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 33 and resn arg and name hn) (resid 32 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN49
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 8.511000
! to proton shift 7.842000
! from heavyatom shift 121.197000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 49
! 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 43 and resn arg and name hn) (resid 45 and resn gly and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN490
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 307000.000000
! from proton shift 8.333000
! to proton shift 1.854000
! from heavyatom shift 118.360000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 490
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 68 and resn asn and name hn) (resid 67 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN492
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1120000.000000
! from proton shift 8.058000
! to proton shift 3.437000
! from heavyatom shift 118.322000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 492
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 his and name hn) (resid 48 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN493
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 832000.000000
! from proton shift 8.059000
! to proton shift 3.315000
! from heavyatom shift 118.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 493
! 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 48 and resn his and name hn) (resid 48 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN494
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 386000.000000
! from proton shift 8.057000
! to proton shift 3.944000
! from heavyatom shift 118.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 494
! note degeneracy 57, 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 48 and resn his and name hn) (resid 47 and resn met and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN495
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 364000.000000
! from proton shift 8.054000
! to proton shift 4.067000
! from heavyatom shift 118.369000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 495
! note degeneracy 87, 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 48 and resn his and name hn) (resid 46 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN496
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 809000.000000
! from proton shift 8.059000
! to proton shift 4.185000
! from heavyatom shift 118.414000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 496
! note degeneracy 63, 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 48 and resn his and name hn) (resid 48 and resn his and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN497
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 363000.000000
! from proton shift 8.054000
! to proton shift 2.455000
! from heavyatom shift 118.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 497
! 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 48 and resn his and name hn) (resid 47 and resn MET and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN498
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 262000.000000
! from proton shift 8.057000
! to proton shift 0.405000
! from heavyatom shift 118.341000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 498
! 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 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 his and name hn) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN499
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1080000.000000
! from proton shift 6.951000
! to proton shift 2.274000
! from heavyatom shift 120.404000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 499
! 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 42 and resn glu and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN5
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 504000.000000
! from proton shift 7.842000
! to proton shift 4.339000
! from heavyatom shift 121.544000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 5
! 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 39 and resn ile and name hn) (resid 39 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN50
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 505000.000000
! from proton shift 7.592000
! to proton shift 8.885000
! from heavyatom shift 121.845000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 50
! 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 72 and resn glu and name hn) (resid 71 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN500
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1310000.000000
! from proton shift 6.951000
! to proton shift 2.068000
! from heavyatom shift 120.396000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 500
! note degeneracy 29, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 42 and resn glu and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 42 and resn glu and name hn) (resid 43 and resn ARG and name hb*) 
    or (resid 42 and resn glu and name hn) (resid 44 and resn GLN and name hg*) 
 
! 
! peak name 3dN501
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 530000.000000
! from proton shift 6.951000
! to proton shift 1.880000
! from heavyatom shift 120.394000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 501
! note degeneracy 31, 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 42 and resn glu and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN502
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 667000.000000
! from proton shift 6.951000
! to proton shift 4.128000
! from heavyatom shift 120.406000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 502
! 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 0, with previousLikelihood range 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 glu and name hn) (resid 42 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN503
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1790000.000000
! from proton shift 8.513000
! to proton shift 2.063000
! from heavyatom shift 121.231000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 503
! note degeneracy 52, 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 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 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 43 and resn arg and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 43 and resn arg and name hn) (resid 43 and resn ARG and name hb*) 
    or (resid 43 and resn arg and name hn) (resid 44 and resn GLN and name hg*) 
    or (resid 43 and resn arg and name hn) (resid 46 and resn LEU and name hb*) 
 
! 
! peak name 3dN504
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 796000.000000
! from proton shift 8.514000
! to proton shift 2.268000
! from heavyatom shift 121.288000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 504
! 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 43 and resn arg and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 43 and resn arg and name hn) (resid 44 and resn GLN and name hb*) 
 
! 
! peak name 3dN505
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1340000.000000
! from proton shift 8.512000
! to proton shift 1.867000
! from heavyatom shift 121.286000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 505
! 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 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 43 and resn arg and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN506
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 662000.000000
! from proton shift 8.497000
! to proton shift 1.685000
! from heavyatom shift 121.849000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 506
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 20 and resn ile and name hn) (resid 20 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN509
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 373000.000000
! from proton shift 8.516000
! to proton shift 3.958000
! from heavyatom shift 121.291000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 509
! 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 0, with previousLikelihood range 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 arg and name hn) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN51
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 801000.000000
! from proton shift 7.219000
! to proton shift 8.030000
! from heavyatom shift 121.784000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 51
! 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 0, with previousLikelihood range 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 val and name hn) (resid 9 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN510
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 280000.000000
! from proton shift 8.515000
! to proton shift 4.121000
! from heavyatom shift 121.449000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 510
! note degeneracy 54, 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 arg and name hn) (resid 42 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN512
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 131000.000000
! from proton shift 7.172000
! to proton shift 0.860000
! from heavyatom shift 120.027000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 512
! 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 11 and resn ala and name hn) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN513
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 178000.000000
! from proton shift 7.719000
! to proton shift 0.768000
! from heavyatom shift 121.219000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 513
! 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 76 and resn gln and name hn) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN514
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 145000.000000
! from proton shift 7.715000
! to proton shift 1.061000
! from heavyatom shift 121.265000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 514
! 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 76 and resn gln and name hn) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN515
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 281000.000000
! from proton shift 7.720000
! to proton shift 3.537000
! from heavyatom shift 121.212000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 515
! 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 76 and resn gln and name hn) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN517
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 388000.000000
! from proton shift 7.595000
! to proton shift 4.480000
! from heavyatom shift 121.853000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 517
! 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 72 and resn glu and name hn) (resid 69 and resn ala and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN518
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1820000.000000
! from proton shift 8.279000
! to proton shift 1.875000
! from heavyatom shift 121.701000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 518
! note degeneracy 60, 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 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 55 and resn asp and name hn) (resid 54 and resn ile and name hb) 3.400000 1.600000 1.600000 
    or (resid 54 and resn ile and name hn) (resid 54 and resn ile and name hb) 
 
! 
! peak name 3dN519
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1020000.000000
! from proton shift 8.287000
! to proton shift 1.743000
! from heavyatom shift 121.635000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 519
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hg11) 3.400000 1.600000 1.600000 
    or (resid 54 and resn ile and name hn) (resid 54 and resn ile and name hg11) 
 
! 
! peak name 3dN52
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 361000.000000
! from proton shift 8.982000
! to proton shift 7.836000
! from heavyatom shift 125.563000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 52
! 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 38 and resn asn and name hn) (resid 39 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN520
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 358000.000000
! from proton shift 8.287000
! to proton shift 1.440000
! from heavyatom shift 121.635000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 520
! note degeneracy 44, 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 54 and resn ile and name hn) (resid 53 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 55 and resn asp and name hn) (resid 53 and resn LEU and name hb*) 
 
! 
! peak name 3dN521
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 828000.000000
! from proton shift 8.279000
! to proton shift 0.941000
! from heavyatom shift 121.692000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 521
! 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 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 54 and resn ile and name hn) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 54 and resn ile and name hn) (resid 56 and resn LEU and name hd*) 
    or (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hg2#) 
    or (resid 55 and resn asp and name hn) (resid 56 and resn LEU and name hd*) 
 
! 
! peak name 3dN522
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 570000.000000
! from proton shift 8.286000
! to proton shift 0.689000
! from heavyatom shift 121.636000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 522
! 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 54 and resn ile and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hd*) 
 
! 
! peak name 3dN523
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 737000.000000
! from proton shift 8.266000
! to proton shift 2.650000
! from heavyatom shift 121.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 523
! 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 3, 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 hn) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000 
    or (resid 54 and resn ile and name hn) (resid 55 and resn ASP and name hb*) 
    or (resid 55 and resn asp and name hn) (resid 55 and resn ASP and name hb*) 
 
! 
! peak name 3dN524
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 327000.000000
! from proton shift 8.282000
! to proton shift 3.669000
! from heavyatom shift 121.680000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 524
! 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 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 54 and resn ile and name hn) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000 
    or (resid 55 and resn asp and name hn) (resid 51 and resn met and name ha) 
 
! 
! peak name 3dN525
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 844000.000000
! from proton shift 8.269000
! to proton shift 4.142000
! from heavyatom shift 121.775000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 525
! note degeneracy 58, 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 55 and resn asp and name hn) (resid 56 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN526
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 737000.000000
! from proton shift 8.437000
! to proton shift 3.937000
! from heavyatom shift 118.636000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 526
! note degeneracy 38, 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 47 and resn met and name hn) (resid 47 and resn met and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN527
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 653000.000000
! from proton shift 8.441000
! to proton shift 3.117000
! from heavyatom shift 118.611000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 527
! note degeneracy 24, 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 47 and resn met and name hn) (resid 47 and resn MET and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN528
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1060000.000000
! from proton shift 8.425000
! to proton shift 2.332000
! from heavyatom shift 118.692000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 528
! note degeneracy 32, 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 78 and resn glu and name hn) (resid 78 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN529
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 641000.000000
! from proton shift 8.431000
! to proton shift 1.201000
! from heavyatom shift 118.647000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 529
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 47 and resn met and name hn) (resid 46 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 78 and resn glu and name hn) (resid 77 and resn LEU and name hb*) 
 
! 
! peak name 3dN53
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 523000.000000
! from proton shift 8.293000
! to proton shift 8.659000
! from heavyatom shift 124.047000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 53
! 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 57 and resn tyr and name hn) (resid 58 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN530
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1690000.000000
! from proton shift 7.965000
! to proton shift 2.073000
! from heavyatom shift 118.565000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 530
! note degeneracy 52, 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 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 26 and resn arg and name hn) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN531
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2300000.000000
! from proton shift 7.971000
! to proton shift 1.936000
! from heavyatom shift 118.601000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 531
! note degeneracy 74, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn arg and name hn) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 26 and resn arg and name hn) (resid 26 and resn ARG and name hg*) 
    or (resid 53 and resn leu and name hn) (resid 50 and resn LEU and name hb*) 
 
! 
! peak name 3dN532
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 651000.000000
! from proton shift 7.954000
! to proton shift 1.439000
! from heavyatom shift 118.527000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 532
! note degeneracy 44, 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn leu and name hn) (resid 53 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN533
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 565000.000000
! from proton shift 7.953000
! to proton shift 0.914000
! from heavyatom shift 118.489000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 533
! note degeneracy 42, 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 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 53 and resn leu and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 53 and resn leu and name hn) (resid 53 and resn LEU and name hd*) 
    or (resid 53 and resn leu and name hn) (resid 56 and resn LEU and name hd*) 
 
! 
! peak name 3dN534
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 392000.000000
! from proton shift 7.955000
! to proton shift 0.820000
! from heavyatom shift 118.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 534
! 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 26 and resn arg and name hn) (resid 25 and resn LYS and name hb*) 3.650000 1.850000 1.850000 
    or (resid 53 and resn leu and name hn) (resid 56 and resn LEU and name hd*) 
 
! 
! peak name 3dN535
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 528000.000000
! from proton shift 8.695000
! to proton shift 4.213000
! from heavyatom shift 119.228000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 535
! 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 0, with previousLikelihood range 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 glu and name hn) (resid 21 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN536
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1210000.000000
! from proton shift 8.669000
! to proton shift 2.306000
! from heavyatom shift 119.609000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 536
! note degeneracy 76, 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 58 and resn glu and name hn) (resid 58 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 58 and resn glu and name hn) (resid 59 and resn GLU and name hb*) 
 
! 
! peak name 3dN537
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 926000.000000
! from proton shift 8.690000
! to proton shift 2.125000
! from heavyatom shift 119.309000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 537
! 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 0, with previousLikelihood range 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 glu and name hn) (resid 22 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN538
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1330000.000000
! from proton shift 8.642000
! to proton shift 1.407000
! from heavyatom shift 120.259000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 538
! note degeneracy 66, 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 5, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 13 and resn ala and name hn) (resid 11 and resn ala and name hb#) 3.650000 1.850000 1.850000 
    or (resid 50 and resn leu and name hn) (resid 50 and resn LEU and name hb*) 
    or (resid 13 and resn ala and name hn) (resid 11 and resn ala and name hb#) 
    or (resid 13 and resn ala and name hn) (resid 12 and resn ARG and name hb*) 
    or (resid 13 and resn ala and name hn) (resid 12 and resn ARG and name hg*) 
 
! 
! peak name 3dN539
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 443000.000000
! from proton shift 8.634000
! to proton shift 0.897000
! from heavyatom shift 120.313000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 539
! note degeneracy 63, 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 50 and resn leu and name hn) (resid 53 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 3dN54
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 135000.000000
! from proton shift 8.288000
! to proton shift 7.754000
! from heavyatom shift 124.011000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 54
! 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 57 and resn tyr and name hn) (resid 59 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN540
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 381000.000000
! from proton shift 8.649000
! to proton shift 1.606000
! from heavyatom shift 120.257000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 540
! note degeneracy 66, 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 ala and name hn) (resid 12 and resn ARG and name hb*) 3.650000 1.850000 1.850000 
    or (resid 50 and resn leu and name hn) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dN541
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1390000.000000
! from proton shift 8.634000
! to proton shift 1.969000
! from heavyatom shift 120.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 541
! note degeneracy 90, 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 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 3dN542
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 547000.000000
! from proton shift 8.634000
! to proton shift 2.318000
! from heavyatom shift 120.348000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 542
! note degeneracy 34, 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 50 and resn leu and name hn) (resid 49 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN543
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 266000.000000
! from proton shift 8.634000
! to proton shift 2.675000
! from heavyatom shift 120.309000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 543
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 50 and resn leu and name hn) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN544
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1110000.000000
! from proton shift 8.633000
! to proton shift 4.090000
! from heavyatom shift 120.314000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 544
! note degeneracy 90, 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 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 13 and resn ala and name hn) (resid 11 and resn ala and name ha) 3.400000 1.600000 1.600000 
    or (resid 13 and resn ala and name hn) (resid 12 and resn arg and name ha) 
    or (resid 50 and resn leu and name hn) (resid 46 and resn leu and name ha) 
 
! 
! peak name 3dN545
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 984000.000000
! from proton shift 8.513000
! to proton shift 1.924000
! from heavyatom shift 120.145000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 545
! note degeneracy 37, 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 25 and resn lys and name hn) (resid 25 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 25 and resn lys and name hn) (resid 26 and resn ARG and name hb*) 
 
! 
! peak name 3dN546
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 504000.000000
! from proton shift 8.517000
! to proton shift 1.543000
! from heavyatom shift 120.147000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 546
! 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 25 and resn lys and name hn) (resid 25 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN547
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 390000.000000
! from proton shift 8.518000
! to proton shift 0.749000
! from heavyatom shift 120.076000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 547
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 25 and resn lys and name hn) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000 
    or (resid 25 and resn lys and name hn) (resid 20 and resn ile and name hd*) 
 
! 
! peak name 3dN548
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 166000.000000
! from proton shift 8.513000
! to proton shift 1.268000
! from heavyatom shift 120.059000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 548
! 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 25 and resn lys and name hn) (resid 25 and resn LYS and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN549
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 231000.000000
! from proton shift 8.517000
! to proton shift 4.003000
! from heavyatom shift 120.158000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 549
! 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 25 and resn lys and name hn) (resid 24 and resn TYR and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN55
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 587000.000000
! from proton shift 7.733000
! to proton shift 8.319000
! from heavyatom shift 123.076000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 55
! 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 27 and resn ile and name hn) (resid 28 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN550
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1090000.000000
! from proton shift 8.328000
! to proton shift 1.766000
! from heavyatom shift 120.157000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 550
! note degeneracy 80, 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 leu and name hn) (resid 27 and resn ile and name hg12) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN551
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 606000.000000
! from proton shift 8.326000
! to proton shift 2.112000
! from heavyatom shift 120.191000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 551
! note degeneracy 104, 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 28 and resn leu and name hn) (resid 27 and resn ile and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN552
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 326000.000000
! from proton shift 8.326000
! to proton shift 3.651000
! from heavyatom shift 120.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 552
! 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 28 and resn leu and name hn) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN553
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2380000.000000
! from proton shift 7.990000
! to proton shift 3.990000
! from heavyatom shift 120.776000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 553
! 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 0, with previousLikelihood range 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 3 and resn val and name hn) (resid 2 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN554
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1170000.000000
! from proton shift 7.990000
! to proton shift 1.825000
! from heavyatom shift 120.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 554
! 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 3 and resn val and name hn) (resid 3 and resn val and name hb) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN555
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 255000.000000
! from proton shift 7.990000
! to proton shift 0.970000
! from heavyatom shift 120.739000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 555
! 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 3 and resn val and name hn) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN556
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 441000.000000
! from proton shift 8.069000
! to proton shift 1.201000
! from heavyatom shift 120.673000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 556
! 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 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 leu and name hn) (resid 77 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN558
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1330000.000000
! from proton shift 8.151000
! to proton shift 1.890000
! from heavyatom shift 121.831000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 558
! note degeneracy 60, 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 46 and resn leu and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN559
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 599000.000000
! from proton shift 8.151000
! to proton shift 0.919000
! from heavyatom shift 121.860000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 559
! note degeneracy 46, 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 46 and resn leu and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN56
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 651000.000000
! from proton shift 7.734000
! to proton shift 7.971000
! from heavyatom shift 123.106000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 56
! 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 27 and resn ile and name hn) (resid 26 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN560
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 616000.000000
! from proton shift 8.151000
! to proton shift 0.786000
! from heavyatom shift 121.874000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 560
! 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 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 46 and resn leu and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN561
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 253000.000000
! from proton shift 8.152000
! to proton shift 3.805000
! from heavyatom shift 121.884000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 561
! 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 46 and resn leu and name hn) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN562
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 564000.000000
! from proton shift 8.150000
! to proton shift 3.981000
! from heavyatom shift 121.886000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 562
! 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 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 46 and resn leu and name hn) (resid 44 and resn gln and name ha) 3.400000 1.600000 1.600000 
    or (resid 46 and resn leu and name hn) (resid 45 and resn GLY and name ha*) 
 
! 
! peak name 3dN563
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1010000.000000
! from proton shift 8.152000
! to proton shift 4.114000
! from heavyatom shift 121.878000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 563
! 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 46 and resn leu and name hn) (resid 45 and resn GLY and name ha*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN564
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 574000.000000
! from proton shift 7.842000
! to proton shift 1.600000
! from heavyatom shift 121.563000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 564
! note degeneracy 44, 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 39 and resn ile and name hn) (resid 39 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN565
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 291000.000000
! from proton shift 7.838000
! to proton shift 2.051000
! from heavyatom shift 121.541000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 565
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 ile and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN567
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 604000.000000
! from proton shift 8.442000
! to proton shift 1.762000
! from heavyatom shift 118.621000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 567
! note degeneracy 38, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn glu and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 47 and resn met and name hn) (resid 47 and resn MET and name hg*) 
 
! 
! peak name 3dN568
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1010000.000000
! from proton shift 8.429000
! to proton shift 1.938000
! from heavyatom shift 118.655000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 568
! note degeneracy 74, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 78 and resn glu and name hn) (resid 51 and resn MET and name hg*) 3.400000 1.600000 1.600000 
    or (resid 78 and resn glu and name hn) (resid 78 and resn GLU and name hb*) 
    or (resid 47 and resn met and name hn) (resid 50 and resn LEU and name hb*) 
 
! 
! peak name 3dN569
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 683000.000000
! from proton shift 8.054000
! to proton shift 2.661000
! from heavyatom shift 118.944000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 569
! 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 51 and resn met and name hn) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN57
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 661000.000000
! from proton shift 8.180000
! to proton shift 8.005000
! from heavyatom shift 122.765000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 57
! 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 69 and resn ala and name hn) (resid 70 and resn phe and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN571
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 491000.000000
! from proton shift 8.050000
! to proton shift 1.941000
! from heavyatom shift 118.865000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 571
! note degeneracy 111, 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn met and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 51 and resn met and name hn) (resid 51 and resn MET and name hg*) 
 
! 
! peak name 3dN572
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 355000.000000
! from proton shift 8.061000
! to proton shift 1.442000
! from heavyatom shift 119.076000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 572
! note degeneracy 92, 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 51 and resn met and name hn) (resid 53 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 51 and resn met and name hn) (resid 77 and resn LEU and name hd*) 
 
! 
! peak name 3dN573
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 460000.000000
! from proton shift 8.054000
! to proton shift 0.784000
! from heavyatom shift 118.904000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 573
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 51 and resn met and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 51 and resn met and name hn) (resid 77 and resn leu and name hg) 
 
! 
! peak name 3dN575
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 292000.000000
! from proton shift 8.306000
! to proton shift 1.567000
! from heavyatom shift 118.992000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 575
! 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 0, with previousLikelihood range 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 gln and name hn) (resid 31 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN576
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 514000.000000
! from proton shift 8.304000
! to proton shift 4.159000
! from heavyatom shift 119.006000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 576
! note degeneracy 58, 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 32 and resn gln and name hn) (resid 29 and resn ala and name ha) 3.400000 1.600000 1.600000 
    or (resid 32 and resn gln and name hn) (resid 31 and resn leu and name ha) 
 
! 
! peak name 3dN578
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 187000.000000
! from proton shift 8.178000
! to proton shift 0.903000
! from heavyatom shift 119.343000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 578
! 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 2, 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 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN579
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 403000.000000
! from proton shift 8.183000
! to proton shift 3.316000
! from heavyatom shift 119.307000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 579
! 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 49 and resn glu and name hn) (resid 48 and resn HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN58
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 591000.000000
! from proton shift 8.152000
! to proton shift 8.425000
! from heavyatom shift 121.893000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 58
! 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 46 and resn leu and name hn) (resid 47 and resn met and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN580
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 484000.000000
! from proton shift 8.185000
! to proton shift 3.438000
! from heavyatom shift 119.330000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 580
! 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 0, with previousLikelihood range 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 HIS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN581
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 592000.000000
! from proton shift 8.421000
! to proton shift 1.910000
! from heavyatom shift 119.460000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 581
! note degeneracy 70, 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 31 and resn leu and name hn) (resid 32 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN582
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1070000.000000
! from proton shift 8.416000
! to proton shift 1.560000
! from heavyatom shift 119.500000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 582
! note degeneracy 38, 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 31 and resn leu and name hn) (resid 31 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN583
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 373000.000000
! from proton shift 8.415000
! to proton shift 1.097000
! from heavyatom shift 119.532000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 583
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 31 and resn leu and name hn) (resid 31 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 31 and resn leu and name hn) (resid 50 and resn LEU and name hd*) 
 
! 
! peak name 3dN584
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 323000.000000
! from proton shift 8.417000
! to proton shift 3.822000
! from heavyatom shift 119.523000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 584
! 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 0, with previousLikelihood range 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 leu and name hn) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN585
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2520000.000000
! from proton shift 8.104000
! to proton shift 1.531000
! from heavyatom shift 119.680000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 585
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 83 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN586
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 444000.000000
! from proton shift 8.101000
! to proton shift 1.760000
! from heavyatom shift 119.651000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 586
! note degeneracy 80, 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 83 and resn leu and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 83 and resn leu and name hn) (resid 84 and resn GLU and name hb*) 
 
! 
! peak name 3dN588
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 511000.000000
! from proton shift 8.102000
! to proton shift 4.066000
! from heavyatom shift 119.691000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 588
! note degeneracy 87, 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 83 and resn leu and name hn) (resid 79 and resn lys and name ha) 3.400000 1.600000 1.600000 
    or (resid 83 and resn leu and name hn) (resid 82 and resn GLY and name ha*) 
 
! 
! peak name 3dN589
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2050000.000000
! from proton shift 8.015000
! to proton shift 1.948000
! from heavyatom shift 119.878000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 589
! note degeneracy 144, 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 6, 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 6, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn lys and name hn) (resid 26 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
    or (resid 34 and resn ile and name hn) (resid 33 and resn ARG and name hg*) 
    or (resid 34 and resn ile and name hn) (resid 34 and resn ile and name hg12) 
    or (resid 61 and resn gln and name hn) (resid 61 and resn GLN and name hb*) 
    or (resid 61 and resn gln and name hn) (resid 61 and resn GLN and name hg*) 
    or (resid 61 and resn gln and name hn) (resid 62 and resn PRO and name hb*) 
 
! 
! peak name 3dN59
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 618000.000000
! from proton shift 8.150000
! to proton shift 7.859000
! from heavyatom shift 121.868000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 59
! 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 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 leu and name hn) (resid 45 and resn gly and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN590
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2060000.000000
! from proton shift 8.005000
! to proton shift 2.069000
! from heavyatom shift 119.939000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 590
! note degeneracy 116, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 27, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 27, 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 4, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 30 and resn lys and name hn) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 30 and resn lys and name hn) (resid 31 and resn LEU and name hb*) 
    or (resid 34 and resn ile and name hn) (resid 31 and resn LEU and name hb*) 
    or (resid 34 and resn ile and name hn) (resid 34 and resn ile and name hb) 
 
! 
! peak name 3dN591
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 690000.000000
! from proton shift 8.007000
! to proton shift 0.895000
! from heavyatom shift 119.875000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 591
! note degeneracy 63, 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 34 and resn ile and name hn) (resid 34 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN592
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 830000.000000
! from proton shift 8.004000
! to proton shift 0.782000
! from heavyatom shift 119.929000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 592
! 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 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 34 and resn ile and name hn) (resid 34 and resn ile and name hg11) 3.650000 1.850000 1.850000 
    or (resid 34 and resn ile and name hn) (resid 46 and resn LEU and name hd*) 
 
! 
! peak name 3dN593
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1210000.000000
! from proton shift 8.025000
! to proton shift 4.092000
! from heavyatom shift 119.836000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 593
! note degeneracy 120, 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 30 and resn lys and name hn) (resid 26 and resn arg and name ha) 3.400000 1.600000 1.600000 
    or (resid 30 and resn lys and name hn) (resid 30 and resn lys and name ha) 
 
! 
! peak name 3dN595
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 469000.000000
! from proton shift 8.066000
! to proton shift 2.460000
! from heavyatom shift 120.668000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 595
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 leu and name hn) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN596
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 991000.000000
! from proton shift 8.069000
! to proton shift 2.145000
! from heavyatom shift 120.681000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 596
! 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 77 and resn leu and name hn) (resid 76 and resn GLN and name hg*) 3.400000 1.600000 1.600000 
    or (resid 77 and resn leu and name hn) (resid 77 and resn LEU and name hb*) 
 
! 
! peak name 3dN598
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 566000.000000
! from proton shift 8.257000
! to proton shift 2.938000
! from heavyatom shift 120.365000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 598
! 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 56 and resn leu and name hn) (resid 55 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN599
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1090000.000000
! from proton shift 8.256000
! to proton shift 4.154000
! from heavyatom shift 120.396000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 599
! note degeneracy 56, 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 56 and resn leu and name hn) (resid 56 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN6
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 345000.000000
! from proton shift 8.778000
! to proton shift 3.942000
! from heavyatom shift 116.333000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 6
! note degeneracy 36, 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 41 and resn asp and name hn) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN60
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 659000.000000
! from proton shift 7.594000
! to proton shift 7.884000
! from heavyatom shift 121.848000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 60
! 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 72 and resn glu and name hn) (resid 73 and resn leu and name hn) 3.400000 1.600000 1.600000 
    or (resid 72 and resn glu and name hn) (resid 75 and resn thr and name hn) 
 
! 
! peak name 3dN600
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 381000.000000
! from proton shift 8.254000
! to proton shift 2.656000
! from heavyatom shift 120.444000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 600
! 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 56 and resn leu and name hn) (resid 55 and resn ASP and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN601
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1770000.000000
! from proton shift 8.255000
! to proton shift 1.844000
! from heavyatom shift 120.383000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 601
! note degeneracy 58, 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 56 and resn leu and name hn) (resid 56 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN602
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 718000.000000
! from proton shift 8.256000
! to proton shift 1.681000
! from heavyatom shift 120.373000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 602
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 leu and name hn) (resid 56 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN603
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 606000.000000
! from proton shift 8.255000
! to proton shift 0.922000
! from heavyatom shift 120.366000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 603
! note degeneracy 46, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 56 and resn leu and name hn) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
    or (resid 56 and resn leu and name hn) (resid 54 and resn ile and name hg2#) 
    or (resid 56 and resn leu and name hn) (resid 56 and resn LEU and name hd*) 
 
! 
! peak name 3dN604
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 762000.000000
! from proton shift 7.887000
! to proton shift 1.961000
! from heavyatom shift 121.270000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 604
! 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 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 71 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
    or (resid 73 and resn leu and name hn) (resid 72 and resn GLU and name hg*) 
 
! 
! peak name 3dN605
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 784000.000000
! from proton shift 7.886000
! to proton shift 1.495000
! from heavyatom shift 121.247000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 605
! note degeneracy 50, 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 73 and resn leu and name hn) (resid 73 and resn LEU and name hb*) 3.650000 1.850000 1.850000 
    or (resid 73 and resn leu and name hn) (resid 73 and resn LEU and name hd*) 
 
! 
! peak name 3dN606
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 499000.000000
! from proton shift 7.886000
! to proton shift 3.538000
! from heavyatom shift 121.241000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 606
! 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 73 and resn leu and name hn) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN607
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 293000.000000
! from proton shift 7.884000
! to proton shift 4.011000
! from heavyatom shift 121.257000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 607
! note degeneracy 44, 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 73 and resn leu and name hn) (resid 72 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN608
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 208000.000000
! from proton shift 7.973000
! to proton shift 4.350000
! from heavyatom shift 118.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 608
! 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 26 and resn arg and name hn) (resid 23 and resn SER and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN609
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 634000.000000
! from proton shift 7.219000
! to proton shift 8.490000
! from heavyatom shift 121.765000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 609
! 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 8 and resn val and name hn) (resid 7 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN610
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 189000.000000
! from proton shift 8.270000
! to proton shift 3.278000
! from heavyatom shift 121.745000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 610
! 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 2, 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 hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
    or (resid 55 and resn asp and name hn) (resid 57 and resn TYR and name hb*) 
    or (resid 55 and resn asp and name hn) (resid 74 and resn ARG and name hd*) 
 
! 
! peak name 3dN611
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 449000.000000
! from proton shift 8.288000
! to proton shift 2.050000
! from heavyatom shift 121.654000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 611
! note degeneracy 52, 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 55 and resn asp and name hn) (resid 53 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 54 and resn ile and name hn) (resid 53 and resn LEU and name hb*) 
 
! 
! peak name 3dN612
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 188000.000000
! from proton shift 8.224000
! to proton shift 3.531000
! from heavyatom shift 112.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 612
! 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 63 and resn ser and name hn) (resid 62 and resn PRO and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN614
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 428000.000000
! from proton shift 8.670000
! to proton shift 3.294000
! from heavyatom shift 119.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 614
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn glu and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN615
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 302000.000000
! from proton shift 8.668000
! to proton shift 3.112000
! from heavyatom shift 119.605000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 615
! 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 0, with previousLikelihood range 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 glu and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN617
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 368000.000000
! from proton shift 8.539000
! to proton shift 0.695000
! from heavyatom shift 119.333000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 617
! 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 74 and resn arg and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN618
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 194000.000000
! from proton shift 7.216000
! to proton shift 0.962000
! from heavyatom shift 121.811000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 618
! 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 val and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN62
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 163000.000000
! from proton shift 8.281000
! to proton shift 7.445000
! from heavyatom shift 121.668000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 62
! 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 54 and resn ile and name hn) (resid 52 and resn glu and name hn) 3.400000 1.600000 1.600000 
    or (resid 55 and resn asp and name hn) (resid 52 and resn glu and name hn) 
 
! 
! peak name 3dN622
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 304000.000000
! from proton shift 8.669000
! to proton shift 4.070000
! from heavyatom shift 119.600000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 622
! note degeneracy 116, 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn glu and name hn) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000 
    or (resid 58 and resn glu and name hn) (resid 59 and resn glu and name ha) 
    or (resid 58 and resn glu and name hn) (resid 60 and resn SER and name hb*) 
 
! 
! peak name 3dN623
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 637000.000000
! from proton shift 8.035000
! to proton shift 1.596000
! from heavyatom shift 117.791000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 623
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 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 arg and name hn) (resid 12 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN624
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 211000.000000
! from proton shift 7.974000
! to proton shift 3.259000
! from heavyatom shift 118.628000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 624
! 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 26 and resn arg and name hn) (resid 26 and resn ARG and name hd*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN625
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 132000.000000
! from proton shift 7.968000
! to proton shift 3.445000
! from heavyatom shift 118.554000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 625
! 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 0, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 26 and resn arg and name hn) (resid 27 and resn ile and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN627
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 202000.000000
! from proton shift 8.271000
! to proton shift 3.124000
! from heavyatom shift 121.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 627
! 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 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 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000 
    or (resid 55 and resn asp and name hn) (resid 57 and resn TYR and name hb*) 
 
! 
! peak name 3dN628
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 169000.000000
! from proton shift 8.148000
! to proton shift 2.263000
! from heavyatom shift 121.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 628
! 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 0, with previousLikelihood range 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 leu and name hn) (resid 44 and resn GLN and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN629
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 7.594000
! to proton shift 3.169000
! from heavyatom shift 121.803000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 629
! 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 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 glu and name hn) (resid 70 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
    or (resid 72 and resn glu and name hn) (resid 71 and resn ARG and name hd*) 
 
! 
! peak name 3dN63
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1120000.000000
! from proton shift 8.513000
! to proton shift 6.948000
! from heavyatom shift 121.236000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 63
! 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 43 and resn arg and name hn) (resid 42 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN630
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 726000.000000
! from proton shift 8.184000
! to proton shift 1.954000
! from heavyatom shift 119.326000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 630
! note degeneracy 34, 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 49 and resn glu and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN631
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 179000.000000
! from proton shift 7.396000
! to proton shift 2.059000
! from heavyatom shift 115.325000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 631
! note degeneracy 81, 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 37 and resn ser and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN632
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 7.389000
! to proton shift 4.251000
! from heavyatom shift 115.367000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 632
! 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 0, with previousLikelihood range 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 ser and name hn) (resid 35 and resn his and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN633
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 221000.000000
! from proton shift 7.945000
! to proton shift 3.669000
! from heavyatom shift 116.686000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 633
! 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 81 and resn leu and name hn) (resid 78 and resn glu and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN634
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 468000.000000
! from proton shift 7.950000
! to proton shift 4.082000
! from heavyatom shift 116.682000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 634
! note degeneracy 58, 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 81 and resn leu and name hn) (resid 79 and resn lys and name ha) 3.400000 1.600000 1.600000 
    or (resid 81 and resn leu and name hn) (resid 82 and resn GLY and name ha*) 
 
! 
! peak name 3dN636
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 496000.000000
! from proton shift 8.344000
! to proton shift 0.851000
! from heavyatom shift 120.544000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 636
! 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 0, with previousLikelihood range 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 84 and resn glu and name hn) (resid 83 and resn LEU and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN637
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 160000.000000
! from proton shift 8.323000
! to proton shift 0.692000
! from heavyatom shift 120.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 637
! 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 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 28 and resn leu and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN638
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 324000.000000
! from proton shift 8.067000
! to proton shift 3.697000
! from heavyatom shift 120.699000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 638
! note degeneracy 28, with previousLikelihood range 0.900000  .. 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 77 and resn leu and name hn) (resid 74 and resn arg and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN64
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 545000.000000
! from proton shift 7.890000
! to proton shift 8.531000
! from heavyatom shift 121.279000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 64
! 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 73 and resn leu and name hn) (resid 74 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN640
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 719000.000000
! from proton shift 8.026000
! to proton shift 1.706000
! from heavyatom shift 119.669000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 640
! 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 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 lys and name hn) (resid 26 and resn ARG and name hg*) 3.400000 1.600000 1.600000 
    or (resid 9 and resn leu and name hn) (resid 8 and resn val and name hb) 
 
! 
! peak name 3dN641
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 171000.000000
! from proton shift 8.068000
! to proton shift 2.222000
! from heavyatom shift 116.518000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 641
! 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 66 and resn arg and name hn) (resid 65 and resn GLU and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN642
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 222000.000000
! from proton shift 8.077000
! to proton shift 1.940000
! from heavyatom shift 116.474000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 642
! note degeneracy 74, 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 66 and resn arg and name hn) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN643
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 8.387000
! to proton shift 1.668000
! from heavyatom shift 116.530000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 643
! 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 21 and resn gly and name hn) (resid 20 and resn ile and name hg11) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN644
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 98500.000000
! from proton shift 8.393000
! to proton shift 1.164000
! from heavyatom shift 116.471000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 644
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 21 and resn gly and name hn) (resid 20 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN646
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 316000.000000
! from proton shift 8.055000
! to proton shift 1.749000
! from heavyatom shift 118.412000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 646
! 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 48 and resn his and name hn) (resid 47 and resn MET and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN65
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 665000.000000
! from proton shift 7.885000
! to proton shift 7.593000
! from heavyatom shift 121.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 65
! 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 73 and resn leu and name hn) (resid 72 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN650
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 184000.000000
! from proton shift 8.541000
! to proton shift 3.176000
! from heavyatom shift 119.348000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 650
! 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 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 arg and name hn) (resid 70 and resn PHE and name hb*) 3.400000 1.600000 1.600000 
    or (resid 74 and resn arg and name hn) (resid 74 and resn ARG and name hd*) 
 
! 
! peak name 3dN652
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1090000.000000
! from proton shift 8.344000
! to proton shift 1.849000
! from heavyatom shift 120.548000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 652
! note degeneracy 62, 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 84 and resn glu and name hn) (resid 79 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
    or (resid 84 and resn glu and name hn) (resid 84 and resn GLU and name hb*) 
 
! 
! peak name 3dN653
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 392000.000000
! from proton shift 8.341000
! to proton shift 2.164000
! from heavyatom shift 120.483000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 653
! note degeneracy 50, 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 hn) (resid 84 and resn GLU and name hg*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN656
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 221000.000000
! from proton shift 8.089000
! to proton shift 3.657000
! from heavyatom shift 121.062000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 656
! 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 29 and resn ala and name hn) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN658
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 842000.000000
! from proton shift 8.345000
! to proton shift 1.538000
! from heavyatom shift 120.499000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 658
! note degeneracy 38, 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 84 and resn glu and name hn) (resid 83 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 84 and resn glu and name hn) (resid 83 and resn leu and name hg) 
 
! 
! peak name 3dN659
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 505000.000000
! from proton shift 8.031000
! to proton shift 2.006000
! from heavyatom shift 117.817000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 659
! note degeneracy 100, 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 arg and name hn) (resid 10 and resn LYS and name hb*) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN66
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 638000.000000
! from proton shift 7.716000
! to proton shift 8.061000
! from heavyatom shift 121.244000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 66
! 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 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 77 and resn leu and name hn) 3.400000 1.600000 1.600000 
    or (resid 76 and resn gln and name hn) (resid 79 and resn lys and name hn) 
 
! 
! peak name 3dN660
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1230000.000000
! from proton shift 8.027000
! to proton shift 1.477000
! from heavyatom shift 119.778000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 660
! note degeneracy 96, 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 30 and resn lys and name hn) (resid 28 and resn LEU and name hb*) 3.400000 1.600000 1.600000 
    or (resid 30 and resn lys and name hn) (resid 30 and resn LYS and name hg*) 
 
! 
! peak name 3dN661
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1030000.000000
! from proton shift 8.017000
! to proton shift 1.398000
! from heavyatom shift 116.652000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 661
! note degeneracy 80, 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 70 and resn phe and name hn) (resid 69 and resn ala and name hb#) 3.650000 1.850000 1.850000 
 
! 
! peak name 3dN67
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 776000.000000
! from proton shift 7.716000
! to proton shift 7.879000
! from heavyatom shift 121.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 67
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 76 and resn gln and name hn) (resid 73 and resn leu and name hn) 3.400000 1.600000 1.600000 
    or (resid 76 and resn gln and name hn) (resid 75 and resn thr and name hn) 
 
! 
! peak name 3dN68
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 852000.000000
! from proton shift 8.090000
! to proton shift 8.317000
! from heavyatom shift 121.152000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 68
! note degeneracy 44, with previousLikelihood range 0.900000  .. 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 29 and resn ala and name hn) (resid 28 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN69
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 441000.000000
! from proton shift 8.671000
! to proton shift 7.770000
! from heavyatom shift 119.612000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 69
! 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 0, with previousLikelihood range 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 glu and name hn) (resid 59 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN7
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 398000.000000
! from proton shift 8.865000
! to proton shift 1.051000
! from heavyatom shift 130.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 7
! 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 40 and resn leu and name hn) (resid 39 and resn ile and name hg12) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN70
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 463000.000000
! from proton shift 8.671000
! to proton shift 8.270000
! from heavyatom shift 119.619000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 70
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 58 and resn glu and name hn) (resid 55 and resn asp and name hn) 3.400000 1.600000 1.600000 
    or (resid 58 and resn glu and name hn) (resid 56 and resn leu and name hn) 
    or (resid 58 and resn glu and name hn) (resid 57 and resn tyr and name hn) 
 
! 
! peak name 3dN71
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 701000.000000
! from proton shift 8.055000
! to proton shift 7.444000
! from heavyatom shift 118.957000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 71
! 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 51 and resn met and name hn) (resid 52 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN72
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 653000.000000
! from proton shift 8.054000
! to proton shift 8.631000
! from heavyatom shift 118.934000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 72
! 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 51 and resn met and name hn) (resid 50 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN73
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 728000.000000
! from proton shift 7.688000
! to proton shift 8.299000
! from heavyatom shift 118.239000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 73
! 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 33 and resn arg and name hn) (resid 32 and resn gln and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN74
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 660000.000000
! from proton shift 7.689000
! to proton shift 7.995000
! from heavyatom shift 118.245000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 74
! 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 33 and resn arg and name hn) (resid 34 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN75
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 718000.000000
! from proton shift 7.953000
! to proton shift 8.274000
! from heavyatom shift 118.505000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 75
! 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 3, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 53 and resn leu and name hn) (resid 54 and resn ile and name hn) 3.400000 1.600000 1.600000 
    or (resid 53 and resn leu and name hn) (resid 55 and resn asp and name hn) 
    or (resid 53 and resn leu and name hn) (resid 56 and resn leu and name hn) 
 
! 
! peak name 3dN76
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 601000.000000
! from proton shift 7.975000
! to proton shift 8.503000
! from heavyatom shift 118.624000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 76
! 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 26 and resn arg and name hn) (resid 25 and resn lys and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN77
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 535000.000000
! from proton shift 7.978000
! to proton shift 7.728000
! from heavyatom shift 118.637000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 77
! 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 26 and resn arg and name hn) (resid 27 and resn ile and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN8
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 338000.000000
! from proton shift 8.865000
! to proton shift 0.904000
! from heavyatom shift 130.993000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 8
! note degeneracy 20, 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 40 and resn leu and name hn) (resid 34 and resn ile and name hg2#) 3.650000 1.850000 1.850000 
    or (resid 40 and resn leu and name hn) (resid 40 and resn LEU and name hd*) 
 
! 
! peak name 3dN81
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 153000.000000
! from proton shift 8.706000
! to proton shift 6.944000
! from heavyatom shift 116.656000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 81
! 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 44 and resn gln and name hn) (resid 42 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN82
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 763000.000000
! from proton shift 8.709000
! to proton shift 7.858000
! from heavyatom shift 116.624000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 82
! 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 gln and name hn) (resid 45 and resn gly and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN83
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 553000.000000
! from proton shift 8.706000
! to proton shift 8.515000
! from heavyatom shift 116.654000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 83
! 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 44 and resn gln and name hn) (resid 43 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN84
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 569000.000000
! from proton shift 8.016000
! to proton shift 8.892000
! from heavyatom shift 116.643000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 84
! 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 70 and resn phe and name hn) (resid 71 and resn arg and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN85
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 182000.000000
! from proton shift 8.013000
! to proton shift 7.607000
! from heavyatom shift 116.704000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 85
! 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 70 and resn phe and name hn) (resid 72 and resn glu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN86
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1620000.000000
! from proton shift 7.747000
! to proton shift 7.359000
! from heavyatom shift 116.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 86
! 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 36 and resn asn and name hn) (resid 35 and resn his and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN87
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 733000.000000
! from proton shift 7.456000
! to proton shift 8.055000
! from heavyatom shift 116.911000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 87
! note degeneracy 16, 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 glu and name hn) (resid 51 and resn met and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN88
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 767000.000000
! from proton shift 7.456000
! to proton shift 7.973000
! from heavyatom shift 116.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 88
! 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 0, with previousLikelihood range 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 glu and name hn) (resid 53 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN89
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 207000.000000
! from proton shift 7.457000
! to proton shift 8.258000
! from heavyatom shift 116.899000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 89
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 52 and resn glu and name hn) (resid 54 and resn ile and name hn) 3.400000 1.600000 1.600000 
    or (resid 52 and resn glu and name hn) (resid 55 and resn asp and name hn) 
 
! 
! peak name 3dN9
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 121000.000000
! from proton shift 8.813000
! to proton shift 7.986000
! from heavyatom shift 127.787000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 9
! 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 4 and resn trp and name hn) (resid 3 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN90
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 664000.000000
! from proton shift 8.453000
! to proton shift 7.169000
! from heavyatom shift 115.653000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 90
! 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 10 and resn lys and name hn) (resid 11 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN91
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 833000.000000
! from proton shift 8.452000
! to proton shift 8.042000
! from heavyatom shift 115.653000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 91
! note degeneracy 17, 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 10 and resn lys and name hn) (resid 9 and resn leu and name hn) 3.400000 1.600000 1.600000 
    or (resid 10 and resn lys and name hn) (resid 12 and resn arg and name hn) 
 
! 
! peak name 3dN92
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 581000.000000
! from proton shift 8.514000
! to proton shift 7.209000
! from heavyatom shift 114.762000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 92
! 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 7 and resn glu and name hn) (resid 8 and resn val and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN93
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 8.518000
! to proton shift 8.035000
! from heavyatom shift 114.709000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 93
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 7 and resn glu and name hn) (resid 9 and resn leu and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN94
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 517000.000000
! from proton shift 6.990000
! to proton shift 8.645000
! from heavyatom shift 113.434000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 94
! 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 0, with previousLikelihood range 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 ser and name hn) (resid 13 and resn ala and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN95
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 203000.000000
! from proton shift 6.993000
! to proton shift 8.053000
! from heavyatom shift 113.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 95
! 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 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 ser and name hn) (resid 12 and resn arg and name hn) 3.400000 1.600000 1.600000 
    or (resid 14 and resn ser and name hn) (resid 15 and resn val and name hn) 
 
! 
! peak name 3dN96
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 412000.000000
! from proton shift 7.639000
! to proton shift 8.741000
! from heavyatom shift 121.617000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 96
! 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 1, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 18 and resn lys and name hn) (resid 17 and resn gly and name hn) 3.400000 1.600000 1.600000 
 
! 
! peak name 3dN97
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 8.695000
! to proton shift 8.362000
! from heavyatom shift 119.205000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 97
! 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 2, with previousLikelihood range 0.900000  .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000  .. 2.000000
! 
assign (resid 22 and resn glu and name hn) (resid 21 and resn gly and name hn) 3.400000 1.600000 1.600000 
    or (resid 22 and resn glu and name hn) (resid 24 and resn tyr and name hn) 

! 
! peak name 3dN99
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 720000.000000
! from proton shift 7.863000
! to proton shift 8.699000
! from heavyatom shift 107.607000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 99
! 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 0, with previousLikelihood range 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 gly and name hn) (resid 44 and resn gln and name hn) 3.400000 1.600000 1.600000 
 

!    3 VAL -100.676  127.270   12.033    8.394    0.523 0.685 25 17 Good
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -100.7   24.1 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  127.3   20.0 2

!    5 THR  -70.245  151.642    9.736   13.889    0.253 0.816 25 16 Good
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -70.2   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  151.6   27.8 2

!    6 PRO  -54.335  -39.273    2.821    4.572    0.152 0.859 25 16 Good
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -54.3   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  -39.3   20.0 2

!    7 GLU  -65.824  -39.173    4.229    5.332    0.107 0.904 25 16 Good
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -65.8   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  -39.2   20.0 2

!    8 VAL  -69.125  -41.971    3.577    4.127    0.074 0.906 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  -69.1   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  -42.0   20.0 2

!    9 LEU  -64.242  -41.987    4.039    4.339    0.069 0.904 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  -64.2   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  -42.0   20.0 2

!   10 LYS  -63.460  -38.564    2.352    4.589    0.081 0.884 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  -63.5   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  -38.6   20.0 2

!   11 ALA  -66.144  -38.520    4.977    7.940    0.106 0.867 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  -66.1   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  -38.5   20.0 2

!   12 ARG  -70.663  -24.644    4.816    8.820    0.156 0.832 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  -70.7   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  -24.6   20.0 2

!   13 ALA  -89.700   -6.922    5.970    9.439    0.239 0.810 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  -89.7   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   -6.9   20.0 2

!   15 VAL -113.908  130.337   13.454   13.932    0.349 0.754 25 18 Good
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -113.9   26.9 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  130.3   27.9 2

!   16 ILE  -66.330  130.485    8.709    7.783    0.377 0.744 25 17 Good
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -66.3   20.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  130.5   20.0 2

!   18 LYS -111.352  145.098   27.108   15.886    0.403 0.754 25 15 Good
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0 -111.4   54.2 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  145.1   31.8 2

!   19 PRO  -66.243  147.415    5.954    7.135    0.331 0.754 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  -66.2   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  147.4   20.0 2

!   20 ILE  -66.858  131.210    7.204    8.456    0.164 0.779 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  -66.9   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  131.2   20.0 2

!   22 GLU  -59.452  -38.818    5.496    5.011    0.183 0.840 25 17 Good
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -59.5   20.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -38.8   20.0 2

!   23 SER  -68.070  -32.053    4.123    7.880    0.190 0.848 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  -68.1   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  -32.1   20.0 2

!   24 TYR  -93.463   -8.483   19.201   24.172    0.204 0.856 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  -93.5   38.4 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0   -8.5   48.3 2

!   25 LYS  -62.122  -42.807    4.261    6.473    0.125 0.885 25 18 Good
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -62.1   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  -42.8   20.0 2

!   26 ARG  -64.955  -41.049    3.984    4.721    0.108 0.902 25 18 Good
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -65.0   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  -41.0   20.0 2

!   27 ILE  -65.655  -44.126    3.264    3.026    0.106 0.908 25 18 Good
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -65.7   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  -44.1   20.0 2

!   28 LEU  -63.246  -39.575    3.912    3.496    0.073 0.895 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  -63.2   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  -39.6   20.0 2

!   29 ALA  -65.894  -40.049    4.772    4.339    0.078 0.867 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  -65.9   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  -40.0   20.0 2

!   30 LYS  -67.350  -36.973    2.647    3.980    0.087 0.842 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  -67.3   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  -37.0   20.0 2

!   31 LEU  -65.389  -40.225    3.513    4.400    0.073 0.841 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  -65.4   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  -40.2   20.0 2

!   32 GLN  -65.182  -38.470    3.446    4.477    0.075 0.863 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  -65.2   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  -38.5   20.0 2

!   33 ARG  -64.225  -42.727    4.478    4.375    0.082 0.895 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  -64.2   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  -42.7   20.0 2

!   34 ILE  -63.926  -43.464    3.177    4.635    0.084 0.903 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  -63.9   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  -43.5   20.0 2

!   35 HIS  -68.507  -28.562    7.607    6.481    0.115 0.873 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  -68.5   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  -28.6   20.0 2

!   36 ASN  -97.012   -3.673    7.158    8.691    0.147 0.788 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  -97.0   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   -3.7   20.0 2

!   37 SER  -71.559  141.743   12.464    7.736    0.212 0.731 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  -71.6   24.9 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0  141.7   20.0 2

!   39 ILE  -89.852  127.103   15.747   14.816    0.256 0.803 25 18 Good
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0  -89.9   31.5 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  127.1   29.6 2

!   40 LEU  -58.728  -40.138    5.600    4.995    0.136 0.875 25 18 Good
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0  -58.7   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  -40.1   20.0 2

!   41 ASP  -64.026  -36.856    3.201    3.796    0.107 0.899 25 18 Good
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0  -64.0   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  -36.9   20.0 2

!   42 GLU  -70.401  -40.033    4.183    3.458    0.095 0.901 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  -70.4   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  -40.0   20.0 2

!   43 ARG  -63.411  -43.385    3.517    3.304    0.111 0.898 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  -63.4   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  -43.4   20.0 2

!   44 GLN  -63.634  -40.024    2.978    3.869    0.088 0.886 25 17 Good
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0  -63.6   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  -40.0   20.0 2

!   45 GLY  -63.473  -44.001    2.162    3.666    0.103 0.877 25 17 Good
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0  -63.5   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  -44.0   20.0 2

!   46 LEU  -65.017  -43.469    3.352    3.721    0.106 0.881 25 17 Good
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0  -65.0   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  -43.5   20.0 2

!   47 MET  -63.392  -43.120    3.309    3.842    0.097 0.899 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  -63.4   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  -43.1   20.0 2

!   48 HIS  -62.659  -42.925    4.303    3.296    0.090 0.912 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  -62.7   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  -42.9   20.0 2

!   49 GLU  -65.997  -40.935    3.634    3.858    0.079 0.907 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  -66.0   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  -40.9   20.0 2

!   50 LEU  -65.475  -39.620    3.059    3.676    0.068 0.897 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  -65.5   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  -39.6   20.0 2

!   51 MET  -62.358  -42.479    2.807    2.717    0.066 0.897 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  -62.4   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  -42.5   20.0 2

!   52 GLU  -64.966  -41.581    3.396    4.233    0.063 0.901 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  -65.0   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  -41.6   20.0 2

!   53 LEU  -64.767  -41.514    2.864    5.114    0.068 0.909 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  -64.8   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  -41.5   20.0 2

!   54 ILE  -64.790  -42.172    3.994    3.042    0.080 0.910 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  -64.8   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  -42.2   20.0 2

!   55 ASP  -64.641  -41.128    4.526    4.029    0.077 0.909 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  -64.6   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  -41.1   20.0 2

!   56 LEU  -66.679  -40.448    3.352    6.376    0.092 0.893 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  -66.7   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  -40.4   20.0 2

!   57 TYR  -64.601  -44.454    5.113    3.866    0.097 0.884 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  -64.6   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  -44.5   20.0 2

!   58 GLU  -64.080  -36.530    3.729    5.997    0.127 0.864 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  -64.1   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  -36.5   20.0 2

!   59 GLU  -71.503  -34.915    6.413    5.162    0.130 0.840 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  -71.5   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  -34.9   20.0 2

!   60 SER  -85.961  -26.405    9.095   10.878    0.155 0.776 25 18 Good
assign (resid   60 and name C    ) (resid   61 and name N    )
       (resid   61 and name CA   ) (resid   61 and name C    )    1.0  -86.0   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  -26.4   21.8 2

!   61 GLN -136.492   71.535    7.564    6.475    0.226 0.728 25 16 Good
assign (resid   61 and name C    ) (resid   62 and name N    )
       (resid   62 and name CA   ) (resid   62 and name C    )    1.0 -136.5   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   71.5   20.0 2

!   62 PRO  -65.444  -21.596    6.099    8.619    0.232 0.689 25 16 Good
assign (resid   62 and name C    ) (resid   63 and name N    )
       (resid   63 and name CA   ) (resid   63 and name C    )    1.0  -65.4   20.0 2
assign (resid   63 and name N    ) (resid   63 and name CA   )
       (resid   63 and name C    ) (resid   64 and name N    )    1.0  -21.6   20.0 2

!   63 SER  -97.404    6.105    7.550    9.346    0.256 0.704 25 16 Good
assign (resid   63 and name C    ) (resid   64 and name N    )
       (resid   64 and name CA   ) (resid   64 and name C    )    1.0  -97.4   20.0 2
assign (resid   64 and name N    ) (resid   64 and name CA   )
       (resid   64 and name C    ) (resid   65 and name N    )    1.0    6.1   20.0 2

!   65 GLU  -64.082  -36.633    5.843    5.213    0.223 0.797 25 16 Good
assign (resid   65 and name C    ) (resid   66 and name N    )
       (resid   66 and name CA   ) (resid   66 and name C    )    1.0  -64.1   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  -36.6   20.0 2

!   66 ARG  -63.072  -41.125    5.222    6.327    0.194 0.845 25 16 Good
assign (resid   66 and name C    ) (resid   67 and name N    )
       (resid   67 and name CA   ) (resid   67 and name C    )    1.0  -63.1   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  -41.1   20.0 2

!   67 LEU  -66.819  -41.195    5.609    7.026    0.167 0.880 25 18 Good
assign (resid   67 and name C    ) (resid   68 and name N    )
       (resid   68 and name CA   ) (resid   68 and name C    )    1.0  -66.8   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  -41.2   20.0 2

!   68 ASN  -65.607  -39.888    2.803    4.686    0.117 0.880 25 18 Good
assign (resid   68 and name C    ) (resid   69 and name N    )
       (resid   69 and name CA   ) (resid   69 and name C    )    1.0  -65.6   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  -39.9   20.0 2

!   69 ALA  -64.298  -39.150    2.996    3.234    0.119 0.871 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  -64.3   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  -39.1   20.0 2

!   70 PHE  -67.857  -36.569    3.063    4.858    0.110 0.867 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  -67.9   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  -36.6   20.0 2

!   71 ARG  -65.985  -42.149    3.896    3.868    0.100 0.880 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  -66.0   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  -42.1   20.0 2

!   72 GLU  -66.418  -40.566    3.550    3.539    0.100 0.892 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  -66.4   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  -40.6   20.0 2

!   73 LEU  -63.852  -44.686    3.815    3.419    0.098 0.899 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  -63.9   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  -44.7   20.0 2

!   74 ARG  -61.728  -43.242    3.567    3.475    0.081 0.904 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  -61.7   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  -43.2   20.0 2

!   75 THR  -65.176  -40.525    3.938    3.056    0.076 0.901 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  -65.2   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  -40.5   20.0 2

!   76 GLN  -65.070  -42.271    3.437    2.531    0.069 0.906 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  -42.3   20.0 2

!   77 LEU  -64.873  -42.924    3.174    3.832    0.055 0.904 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  -64.9   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  -42.9   20.0 2

!   78 GLU  -59.386  -44.928    4.166    3.868    0.054 0.908 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  -59.4   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  -44.9   20.0 2

!   79 LYS  -65.665  -42.798    3.840    4.787    0.049 0.888 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  -65.7   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  -42.8   20.0 2

!   80 ALA  -65.648  -33.355    3.529    6.025    0.057 0.833 25 18 Good
assign (resid   80 and name C    ) (resid   81 and name N    )
       (resid   81 and name CA   ) (resid   81 and name C    )    1.0  -65.6   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  -33.4   20.0 2

!   81 LEU  -86.078   -8.143    6.030   10.687    0.067 0.759 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  -86.1   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   -8.1   21.4 2

!   82 GLY   71.477   25.294    5.314    5.125    0.093 0.672 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   71.5   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   25.3   20.0 2

!   83 LEU  -89.146  142.597   12.772   15.947    0.203 0.613 25 17 Good
assign (resid   83 and name C    ) (resid   84 and name N    )
       (resid   84 and name CA   ) (resid   84 and name C    )    1.0  -89.1   25.5 2
assign (resid   84 and name N    ) (resid   84 and name CA   )
       (resid   84 and name C    ) (resid   85 and name N    )    1.0  142.6   31.9 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  -6.483 -15.620  10.083
    2    H2   MET   1           HT2      MET   1  -6.362 -17.035  11.015
    3    H3   MET   1           HT3      MET   1  -4.972 -16.126  10.661
    4    HA   MET   1           HA       MET   1  -5.315 -14.683  12.313
    5    HB2  MET   1           HB2      MET   1  -8.245 -14.928  11.581
    6    HB3  MET   1           HB1      MET   1  -7.646 -13.883  12.870
    7    HG2  MET   1           HG2      MET   1  -6.208 -12.705  11.238
    8    HG3  MET   1           HG1      MET   1  -6.832 -13.738   9.951
    9    HE1  MET   1           HE1      MET   1  -8.580 -10.518   8.961
   10    HE2  MET   1           HE2      MET   1  -7.863 -12.021   8.387
   11    HE3  MET   1           HE3      MET   1  -6.910 -10.922   9.381
   12    H    GLY   2           HN       GLY   2  -5.997 -14.767  14.590
   13    HA2  GLY   2           HA2      GLY   2  -6.682 -15.853  16.534
   14    HA3  GLY   2           HA1      GLY   2  -7.328 -17.159  15.546
   15    H    VAL   3           HN       VAL   3  -4.296 -16.624  14.411
   16    HA   VAL   3           HA       VAL   3  -3.156 -18.775  16.106
   17    HB   VAL   3           HB       VAL   3  -2.211 -17.893  13.375
   18   HG11  VAL   3          HG11      VAL   3  -1.169 -20.145  13.412
   19   HG12  VAL   3          HG12      VAL   3  -1.800 -20.398  15.039
   20   HG13  VAL   3          HG13      VAL   3  -0.595 -19.144  14.747
   21   HG21  VAL   3          HG21      VAL   3  -3.438 -19.967  12.602
   22   HG22  VAL   3          HG22      VAL   3  -4.495 -18.650  13.113
   23   HG23  VAL   3          HG23      VAL   3  -4.215 -20.022  14.185
   24    H    TRP   4           HN       TRP   4  -2.830 -16.834  17.612
   25    HA   TRP   4           HA       TRP   4  -0.181 -15.616  17.036
   26    HB2  TRP   4           HB2      TRP   4  -2.377 -14.349  18.678
   27    HB3  TRP   4           HB1      TRP   4  -0.868 -13.612  18.138
   28    HD1  TRP   4           HD1      TRP   4  -0.752 -14.316  15.165
   29    HE1  TRP   4           HE1      TRP   4  -2.489 -13.416  13.485
   30    HE3  TRP   4           HE3      TRP   4  -4.584 -13.223  18.358
   31    HZ2  TRP   4           HZ2      TRP   4  -5.151 -12.371  13.494
   32    HZ3  TRP   4           HZ3      TRP   4  -6.706 -12.277  17.497
   33    HH2  TRP   4           HH2      TRP   4  -6.995 -11.850  15.072
   34    H    THR   5           HN       THR   5   1.335 -16.009  18.484
   35    HA   THR   5           HA       THR   5   0.869 -16.272  21.272
   36    HB   THR   5           HB       THR   5   1.832 -18.834  20.014
   37    HG1  THR   5           HG1      THR   5  -0.111 -19.065  19.290
   38   HG21  THR   5          HG21      THR   5   1.389 -19.761  22.134
   39   HG22  THR   5          HG22      THR   5   0.337 -18.424  22.594
   40   HG23  THR   5          HG23      THR   5   2.082 -18.180  22.505
   41    HA   PRO   6           HA       PRO   6   5.220 -15.563  19.410
   42    HB2  PRO   6           HB2      PRO   6   5.331 -12.834  19.792
   43    HB3  PRO   6           HB1      PRO   6   4.734 -13.587  18.298
   44    HG2  PRO   6           HG2      PRO   6   3.171 -12.569  20.633
   45    HG3  PRO   6           HG1      PRO   6   2.896 -12.295  18.907
   46    HD2  PRO   6           HD2      PRO   6   1.469 -14.130  20.244
   47    HD3  PRO   6           HD1      PRO   6   2.020 -14.427  18.577
   48    H    GLU   7           HN       GLU   7   7.021 -14.326  20.669
   49    HA   GLU   7           HA       GLU   7   7.313 -15.363  23.207
   50    HB2  GLU   7           HB2      GLU   7   8.551 -12.813  22.126
   51    HB3  GLU   7           HB1      GLU   7   9.113 -13.710  23.536
   52    HG2  GLU   7           HG2      GLU   7  10.500 -14.575  21.858
   53    HG3  GLU   7           HG1      GLU   7   9.196 -15.758  21.880
   54    H    VAL   8           HN       VAL   8   5.311 -12.802  22.216
   55    HA   VAL   8           HA       VAL   8   5.299 -11.095  24.423
   56    HB   VAL   8           HB       VAL   8   2.898 -11.954  22.798
   57   HG11  VAL   8          HG11      VAL   8   2.235 -10.683  24.720
   58   HG12  VAL   8          HG12      VAL   8   2.158  -9.613  23.320
   59   HG13  VAL   8          HG13      VAL   8   3.514  -9.500  24.442
   60   HG21  VAL   8          HG21      VAL   8   4.774  -9.636  22.270
   61   HG22  VAL   8          HG22      VAL   8   3.472 -10.216  21.231
   62   HG23  VAL   8          HG23      VAL   8   4.923 -11.192  21.454
   63    H    LEU   9           HN       LEU   9   3.374 -14.039  23.834
   64    HA   LEU   9           HA       LEU   9   1.988 -13.992  26.294
   65    HB2  LEU   9           HB2      LEU   9   1.251 -15.362  24.434
   66    HB3  LEU   9           HB1      LEU   9   2.738 -16.306  24.499
   67    HG   LEU   9           HG       LEU   9   1.299 -16.164  27.109
   68   HD11  LEU   9          HD11      LEU   9   0.018 -17.412  24.679
   69   HD12  LEU   9          HD12      LEU   9  -0.700 -16.303  25.846
   70   HD13  LEU   9          HD13      LEU   9  -0.338 -17.963  26.316
   71   HD21  LEU   9          HD21      LEU   9   3.302 -17.632  26.443
   72   HD22  LEU   9          HD22      LEU   9   2.155 -18.586  25.506
   73   HD23  LEU   9          HD23      LEU   9   1.968 -18.454  27.253
   74    H    LYS  10           HN       LYS  10   5.016 -15.536  25.294
   75    HA   LYS  10           HA       LYS  10   5.541 -16.860  27.740
   76    HB2  LYS  10           HB2      LYS  10   6.665 -17.378  25.580
   77    HB3  LYS  10           HB1      LYS  10   7.529 -15.846  25.704
   78    HG2  LYS  10           HG2      LYS  10   8.631 -16.538  27.731
   79    HG3  LYS  10           HG1      LYS  10   7.625 -17.980  27.852
   80    HD2  LYS  10           HD2      LYS  10   9.717 -18.717  26.953
   81    HD3  LYS  10           HD1      LYS  10   8.590 -18.692  25.600
   82    HE2  LYS  10           HE2      LYS  10   9.493 -16.651  24.756
   83    HE3  LYS  10           HE1      LYS  10  10.393 -16.348  26.242
   84    HZ1  LYS  10           HZ1      LYS  10  11.475 -18.612  25.669
   85    HZ2  LYS  10           HZ2      LYS  10  11.996 -17.203  24.880
   86    HZ3  LYS  10           HZ3      LYS  10  10.939 -18.275  24.096
   87    H    ALA  11           HN       ALA  11   6.272 -13.634  26.529
   88    HA   ALA  11           HA       ALA  11   8.023 -12.853  28.615
   89    HB1  ALA  11           HB1      ALA  11   7.797 -10.651  27.771
   90    HB2  ALA  11           HB2      ALA  11   6.194 -10.979  27.114
   91    HB3  ALA  11           HB3      ALA  11   7.620 -11.692  26.360
   92    H    ARG  12           HN       ARG  12   4.522 -12.685  28.203
   93    HA   ARG  12           HA       ARG  12   4.007 -11.193  30.575
   94    HB2  ARG  12           HB2      ARG  12   2.252 -13.035  28.929
   95    HB3  ARG  12           HB1      ARG  12   1.662 -12.030  30.252
   96    HG2  ARG  12           HG2      ARG  12   3.243 -10.777  28.007
   97    HG3  ARG  12           HG1      ARG  12   1.527 -11.113  27.790
   98    HD2  ARG  12           HD2      ARG  12   1.043  -9.809  29.858
   99    HD3  ARG  12           HD1      ARG  12   2.749  -9.405  29.985
  100    HE   ARG  12           HE       ARG  12   0.849  -8.346  28.044
  101   HH11  ARG  12          HH21      ARG  12   4.133  -8.782  29.049
  102   HH12  ARG  12          HH22      ARG  12   4.736  -7.441  28.136
  103   HH21  ARG  12          HH11      ARG  12   1.632  -6.585  26.847
  104   HH22  ARG  12          HH12      ARG  12   3.318  -6.198  26.888
  105    H    ALA  13           HN       ALA  13   3.906 -14.649  29.800
  106    HA   ALA  13           HA       ALA  13   3.186 -15.470  32.439
  107    HB1  ALA  13           HB1      ALA  13   4.632 -17.133  30.373
  108    HB2  ALA  13           HB2      ALA  13   2.898 -16.820  30.305
  109    HB3  ALA  13           HB3      ALA  13   3.583 -17.696  31.674
  110    H    SER  14           HN       SER  14   6.225 -15.125  30.685
  111    HA   SER  14           HA       SER  14   7.803 -16.028  32.964
  112    HB2  SER  14           HB2      SER  14   8.804 -14.832  30.376
  113    HB3  SER  14           HB1      SER  14   9.696 -15.835  31.520
  114    HG   SER  14           HG       SER  14   9.007 -17.134  29.844
  115    H    VAL  15           HN       VAL  15   6.272 -13.228  32.121
  116    HA   VAL  15           HA       VAL  15   6.413 -11.050  32.828
  117    HB   VAL  15           HB       VAL  15   8.437 -12.042  34.837
  118   HG11  VAL  15          HG11      VAL  15   7.505 -10.225  36.197
  119   HG12  VAL  15          HG12      VAL  15   6.350  -9.842  34.920
  120   HG13  VAL  15          HG13      VAL  15   8.075  -9.592  34.653
  121   HG21  VAL  15          HG21      VAL  15   6.340 -12.348  36.282
  122   HG22  VAL  15          HG22      VAL  15   6.608 -13.566  35.036
  123   HG23  VAL  15          HG23      VAL  15   5.421 -12.288  34.778
  124    H    ILE  16           HN       ILE  16   9.733 -12.088  33.566
  125    HA   ILE  16           HA       ILE  16  10.762  -9.855  31.957
  126    HB   ILE  16           HB       ILE  16  11.603 -10.184  34.253
  127   HG12  ILE  16          HG12      ILE  16  13.725 -10.808  32.179
  128   HG13  ILE  16          HG11      ILE  16  13.019  -9.207  32.405
  129   HG21  ILE  16          HG21      ILE  16  12.812 -12.743  33.176
  130   HG22  ILE  16          HG22      ILE  16  11.376 -12.691  34.199
  131   HG23  ILE  16          HG23      ILE  16  12.925 -12.124  34.822
  132   HD11  ILE  16          HD11      ILE  16  13.711  -9.368  34.846
  133   HD12  ILE  16          HD12      ILE  16  15.044  -9.251  33.696
  134   HD13  ILE  16          HD13      ILE  16  14.628 -10.810  34.407
  135    H    GLY  17           HN       GLY  17  11.942 -10.094  30.130
  136    HA2  GLY  17           HA2      GLY  17  11.656 -12.365  28.520
  137    HA3  GLY  17           HA1      GLY  17  12.840 -11.086  28.257
  138    H    LYS  18           HN       LYS  18  12.870 -14.160  28.162
  139    HA   LYS  18           HA       LYS  18  15.570 -14.499  28.967
  140    HB2  LYS  18           HB2      LYS  18  14.324 -14.495  31.205
  141    HB3  LYS  18           HB1      LYS  18  13.635 -16.035  30.696
  142    HG2  LYS  18           HG2      LYS  18  15.959 -16.894  30.327
  143    HG3  LYS  18           HG1      LYS  18  16.579 -15.383  30.995
  144    HD2  LYS  18           HD2      LYS  18  15.178 -15.861  33.064
  145    HD3  LYS  18           HD1      LYS  18  14.909 -17.475  32.403
  146    HE2  LYS  18           HE2      LYS  18  17.320 -17.891  32.357
  147    HE3  LYS  18           HE1      LYS  18  17.634 -16.255  32.934
  148    HZ1  LYS  18           HZ1      LYS  18  15.778 -17.549  34.627
  149    HZ2  LYS  18           HZ2      LYS  18  17.307 -16.911  35.007
  150    HZ3  LYS  18           HZ3      LYS  18  17.162 -18.514  34.460
  151    HA   PRO  19           HA       PRO  19  13.395 -17.556  26.077
  152    HB2  PRO  19           HB2      PRO  19  14.859 -16.895  23.823
  153    HB3  PRO  19           HB1      PRO  19  13.301 -16.157  24.244
  154    HG2  PRO  19           HG2      PRO  19  16.062 -15.124  24.696
  155    HG3  PRO  19           HG1      PRO  19  14.610 -14.259  24.164
  156    HD2  PRO  19           HD2      PRO  19  15.507 -14.114  26.712
  157    HD3  PRO  19           HD1      PRO  19  13.772 -14.060  26.332
  158    H    ILE  20           HN       ILE  20  14.201 -19.584  25.841
  159    HA   ILE  20           HA       ILE  20  16.976 -20.068  26.612
  160    HB   ILE  20           HB       ILE  20  14.724 -21.984  25.993
  161   HG12  ILE  20          HG12      ILE  20  15.949 -21.239  28.668
  162   HG13  ILE  20          HG11      ILE  20  14.502 -20.452  28.029
  163   HG21  ILE  20          HG21      ILE  20  16.254 -23.606  27.182
  164   HG22  ILE  20          HG22      ILE  20  17.515 -22.377  27.122
  165   HG23  ILE  20          HG23      ILE  20  16.873 -23.058  25.627
  166   HD11  ILE  20          HD11      ILE  20  13.521 -22.821  27.772
  167   HD12  ILE  20          HD12      ILE  20  13.681 -22.207  29.416
  168   HD13  ILE  20          HD13      ILE  20  14.854 -23.363  28.791
  169    H    GLY  21           HN       GLY  21  18.580 -20.648  25.256
  170    HA2  GLY  21           HA2      GLY  21  18.043 -20.595  22.390
  171    HA3  GLY  21           HA1      GLY  21  19.623 -20.678  23.164
  172    H    GLU  22           HN       GLU  22  17.231 -22.418  21.541
  173    HA   GLU  22           HA       GLU  22  18.698 -24.729  21.186
  174    HB2  GLU  22           HB2      GLU  22  17.519 -24.651  23.831
  175    HB3  GLU  22           HB1      GLU  22  16.730 -25.929  22.919
  176    HG2  GLU  22           HG2      GLU  22  18.900 -26.899  22.348
  177    HG3  GLU  22           HG1      GLU  22  19.729 -25.597  23.201
  178    H    SER  23           HN       SER  23  17.015 -26.711  20.815
  179    HA   SER  23           HA       SER  23  15.449 -25.918  18.602
  180    HB2  SER  23           HB2      SER  23  16.227 -28.148  18.579
  181    HB3  SER  23           HB1      SER  23  15.609 -28.469  20.198
  182    HG   SER  23           HG       SER  23  14.338 -28.518  17.759
  183    H    TYR  24           HN       TYR  24  14.649 -26.592  21.982
  184    HA   TYR  24           HA       TYR  24  11.885 -26.690  21.849
  185    HB2  TYR  24           HB2      TYR  24  13.137 -27.079  23.922
  186    HB3  TYR  24           HB1      TYR  24  13.588 -25.375  23.981
  187    HD1  TYR  24           HD2      TYR  24  10.667 -27.697  24.000
  188    HD2  TYR  24           HD1      TYR  24  12.110 -23.749  24.887
  189    HE1  TYR  24           HE2      TYR  24   8.532 -27.174  25.149
  190    HE2  TYR  24           HE1      TYR  24   9.976 -23.225  26.034
  191    HH   TYR  24           HH       TYR  24   7.578 -25.693  26.667
  192    H    LYS  25           HN       LYS  25  14.005 -24.029  21.282
  193    HA   LYS  25           HA       LYS  25  11.908 -22.015  21.586
  194    HB2  LYS  25           HB2      LYS  25  14.239 -21.515  22.242
  195    HB3  LYS  25           HB1      LYS  25  14.746 -21.735  20.569
  196    HG2  LYS  25           HG2      LYS  25  13.346 -19.890  19.844
  197    HG3  LYS  25           HG1      LYS  25  12.652 -19.729  21.459
  198    HD2  LYS  25           HD2      LYS  25  14.893 -19.168  22.349
  199    HD3  LYS  25           HD1      LYS  25  15.564 -19.301  20.723
  200    HE2  LYS  25           HE2      LYS  25  13.338 -17.391  21.494
  201    HE3  LYS  25           HE1      LYS  25  15.040 -16.939  21.387
  202    HZ1  LYS  25           HZ1      LYS  25  13.328 -17.969  19.193
  203    HZ2  LYS  25           HZ2      LYS  25  15.004 -17.730  19.060
  204    HZ3  LYS  25           HZ3      LYS  25  13.974 -16.407  19.333
  205    H    ARG  26           HN       ARG  26  13.109 -24.104  19.178
  206    HA   ARG  26           HA       ARG  26  12.720 -22.567  16.856
  207    HB2  ARG  26           HB2      ARG  26  13.934 -24.735  16.914
  208    HB3  ARG  26           HB1      ARG  26  12.400 -25.561  17.190
  209    HG2  ARG  26           HG2      ARG  26  11.536 -24.616  15.049
  210    HG3  ARG  26           HG1      ARG  26  13.112 -23.874  14.771
  211    HD2  ARG  26           HD2      ARG  26  14.129 -26.171  14.917
  212    HD3  ARG  26           HD1      ARG  26  12.494 -26.827  14.977
  213    HE   ARG  26           HE       ARG  26  12.915 -25.077  12.729
  214   HH11  ARG  26          HH21      ARG  26  13.293 -28.277  13.995
  215   HH12  ARG  26          HH22      ARG  26  13.296 -29.040  12.440
  216   HH21  ARG  26          HH11      ARG  26  12.918 -26.070  10.690
  217   HH22  ARG  26          HH12      ARG  26  13.085 -27.789  10.569
  218    H    ILE  27           HN       ILE  27  10.557 -24.704  18.688
  219    HA   ILE  27           HA       ILE  27   8.363 -24.546  16.953
  220    HB   ILE  27           HB       ILE  27   7.037 -25.076  19.104
  221   HG12  ILE  27          HG12      ILE  27   9.843 -25.398  20.199
  222   HG13  ILE  27          HG11      ILE  27   8.832 -24.001  20.561
  223   HG21  ILE  27          HG21      ILE  27   8.155 -27.362  19.259
  224   HG22  ILE  27          HG22      ILE  27   9.349 -26.758  18.110
  225   HG23  ILE  27          HG23      ILE  27   7.652 -26.870  17.642
  226   HD11  ILE  27          HD11      ILE  27   7.154 -25.385  21.590
  227   HD12  ILE  27          HD12      ILE  27   8.715 -25.824  22.286
  228   HD13  ILE  27          HD13      ILE  27   7.973 -26.855  21.062
  229    H    LEU  28           HN       LEU  28   9.385 -22.524  19.635
  230    HA   LEU  28           HA       LEU  28   7.091 -20.858  19.663
  231    HB2  LEU  28           HB2      LEU  28   8.681 -21.091  21.570
  232    HB3  LEU  28           HB1      LEU  28   9.888 -20.219  20.627
  233    HG   LEU  28           HG       LEU  28   8.284 -18.295  20.445
  234   HD11  LEU  28          HD11      LEU  28   6.588 -20.190  22.055
  235   HD12  LEU  28          HD12      LEU  28   6.121 -19.084  20.765
  236   HD13  LEU  28          HD13      LEU  28   6.452 -18.458  22.374
  237   HD21  LEU  28          HD21      LEU  28   9.188 -19.281  23.154
  238   HD22  LEU  28          HD22      LEU  28   8.438 -17.700  22.940
  239   HD23  LEU  28          HD23      LEU  28   9.952 -18.075  22.117
  240    H    ALA  29           HN       ALA  29  10.167 -20.780  17.974
  241    HA   ALA  29           HA       ALA  29   9.908 -18.129  16.961
  242    HB1  ALA  29           HB1      ALA  29  11.776 -18.676  15.546
  243    HB2  ALA  29           HB2      ALA  29  11.503 -20.405  15.772
  244    HB3  ALA  29           HB3      ALA  29  12.058 -19.415  17.122
  245    H    LYS  30           HN       LYS  30   8.998 -21.318  15.755
  246    HA   LYS  30           HA       LYS  30   8.399 -20.792  13.131
  247    HB2  LYS  30           HB2      LYS  30   6.955 -22.519  15.145
  248    HB3  LYS  30           HB1      LYS  30   6.521 -22.495  13.437
  249    HG2  LYS  30           HG2      LYS  30   9.401 -22.924  14.202
  250    HG3  LYS  30           HG1      LYS  30   8.274 -24.270  14.328
  251    HD2  LYS  30           HD2      LYS  30   7.657 -23.975  11.970
  252    HD3  LYS  30           HD1      LYS  30   8.775 -22.623  11.830
  253    HE2  LYS  30           HE2      LYS  30  10.641 -24.140  12.469
  254    HE3  LYS  30           HE1      LYS  30   9.501 -25.488  12.488
  255    HZ1  LYS  30           HZ1      LYS  30   9.663 -23.779  10.106
  256    HZ2  LYS  30           HZ2      LYS  30   9.229 -25.416  10.231
  257    HZ3  LYS  30           HZ3      LYS  30  10.860 -24.955  10.355
  258    H    LEU  31           HN       LEU  31   6.846 -19.566  15.931
  259    HA   LEU  31           HA       LEU  31   4.326 -18.927  14.866
  260    HB2  LEU  31           HB2      LEU  31   5.989 -17.806  17.104
  261    HB3  LEU  31           HB1      LEU  31   4.469 -17.038  16.671
  262    HG   LEU  31           HG       LEU  31   4.259 -18.774  18.491
  263   HD11  LEU  31          HD11      LEU  31   2.148 -19.361  17.778
  264   HD12  LEU  31          HD12      LEU  31   2.692 -19.892  16.194
  265   HD13  LEU  31          HD13      LEU  31   2.479 -18.174  16.524
  266   HD21  LEU  31          HD21      LEU  31   6.009 -20.289  17.353
  267   HD22  LEU  31          HD22      LEU  31   4.708 -20.791  16.278
  268   HD23  LEU  31          HD23      LEU  31   4.583 -21.092  18.010
  269    H    GLN  32           HN       GLN  32   7.400 -17.222  14.813
  270    HA   GLN  32           HA       GLN  32   6.484 -14.788  13.744
  271    HB2  GLN  32           HB2      GLN  32   8.764 -15.181  14.683
  272    HB3  GLN  32           HB1      GLN  32   9.153 -16.129  13.247
  273    HG2  GLN  32           HG2      GLN  32   9.970 -13.877  12.902
  274    HG3  GLN  32           HG1      GLN  32   8.580 -14.114  11.849
  275   HE21  GLN  32          HE21      GLN  32   8.314 -11.704  11.899
  276   HE22  GLN  32          HE22      GLN  32   7.561 -10.984  13.239
  277    H    ARG  33           HN       ARG  33   7.657 -17.748  12.145
  278    HA   ARG  33           HA       ARG  33   7.333 -16.746   9.496
  279    HB2  ARG  33           HB2      ARG  33   8.807 -18.657  10.044
  280    HB3  ARG  33           HB1      ARG  33   7.384 -19.618  10.452
  281    HG2  ARG  33           HG2      ARG  33   6.536 -19.400   8.170
  282    HG3  ARG  33           HG1      ARG  33   7.883 -18.343   7.746
  283    HD2  ARG  33           HD2      ARG  33   8.237 -21.175   8.745
  284    HD3  ARG  33           HD1      ARG  33   8.161 -20.754   7.037
  285    HE   ARG  33           HE       ARG  33  10.108 -19.104   8.057
  286   HH11  ARG  33          HH21      ARG  33   9.478 -22.505   8.047
  287   HH12  ARG  33          HH22      ARG  33  11.150 -22.956   8.058
  288   HH21  ARG  33          HH11      ARG  33  12.304 -19.685   8.069
  289   HH22  ARG  33          HH12      ARG  33  12.751 -21.359   8.070
  290    H    ILE  34           HN       ILE  34   5.321 -18.725  11.632
  291    HA   ILE  34           HA       ILE  34   3.241 -19.235   9.794
  292    HB   ILE  34           HB       ILE  34   3.256 -19.089  12.812
  293   HG12  ILE  34          HG12      ILE  34   3.057 -21.490  10.979
  294   HG13  ILE  34          HG11      ILE  34   4.601 -20.886  11.576
  295   HG21  ILE  34          HG21      ILE  34   0.986 -18.724  12.232
  296   HG22  ILE  34          HG22      ILE  34   1.093 -20.462  12.511
  297   HG23  ILE  34          HG23      ILE  34   1.071 -19.832  10.863
  298   HD11  ILE  34          HD11      ILE  34   2.326 -21.528  13.457
  299   HD12  ILE  34          HD12      ILE  34   4.041 -21.353  13.831
  300   HD13  ILE  34          HD13      ILE  34   3.474 -22.761  12.937
  301    H    HIS  35           HN       HIS  35   3.756 -16.631  12.146
  302    HA   HIS  35           HA       HIS  35   1.357 -15.297  12.039
  303    HB2  HIS  35           HB2      HIS  35   3.292 -14.617  13.438
  304    HB3  HIS  35           HB1      HIS  35   4.103 -14.019  11.988
  305    HD2  HIS  35           HD2      HIS  35   0.366 -13.328  13.216
  306    HE1  HIS  35           HE1      HIS  35   2.268  -9.655  12.370
  307    HE2  HIS  35           HE2      HIS  35   0.089 -10.734  13.103
  308    H    ASN  36           HN       ASN  36   4.149 -14.451   9.973
  309    HA   ASN  36           HA       ASN  36   2.599 -12.885   8.175
  310    HB2  ASN  36           HB2      ASN  36   4.986 -12.505   8.418
  311    HB3  ASN  36           HB1      ASN  36   5.334 -14.137   7.853
  312   HD21  ASN  36          HD21      ASN  36   6.408 -13.591   5.884
  313   HD22  ASN  36          HD22      ASN  36   5.644 -12.761   4.616
  314    H    SER  37           HN       SER  37   3.788 -16.212   8.091
  315    HA   SER  37           HA       SER  37   2.617 -16.714   5.477
  316    HB2  SER  37           HB2      SER  37   3.823 -18.733   7.369
  317    HB3  SER  37           HB1      SER  37   3.599 -18.880   5.631
  318    HG   SER  37           HG       SER  37   5.752 -18.286   6.248
  319    H    ASN  38           HN       ASN  38   1.033 -16.065   8.030
  320    HA   ASN  38           HA       ASN  38  -0.385 -18.179   9.030
  321    HB2  ASN  38           HB2      ASN  38  -2.304 -16.611   9.263
  322    HB3  ASN  38           HB1      ASN  38  -0.780 -15.911   9.802
  323   HD21  ASN  38          HD21      ASN  38  -2.128 -13.826   9.321
  324   HD22  ASN  38          HD22      ASN  38  -2.038 -13.219   7.739
  325    H    ILE  39           HN       ILE  39  -2.085 -19.459   8.392
  326    HA   ILE  39           HA       ILE  39  -3.059 -20.788   6.734
  327    HB   ILE  39           HB       ILE  39  -4.983 -19.553   5.749
  328   HG12  ILE  39          HG12      ILE  39  -3.891 -17.251   7.333
  329   HG13  ILE  39          HG11      ILE  39  -3.695 -17.406   5.593
  330   HG21  ILE  39          HG21      ILE  39  -4.957 -20.600   8.055
  331   HG22  ILE  39          HG22      ILE  39  -6.099 -19.271   7.858
  332   HG23  ILE  39          HG23      ILE  39  -4.570 -19.000   8.692
  333   HD11  ILE  39          HD11      ILE  39  -5.647 -16.005   6.128
  334   HD12  ILE  39          HD12      ILE  39  -6.328 -17.329   7.077
  335   HD13  ILE  39          HD13      ILE  39  -6.141 -17.500   5.333
  336    H    LEU  40           HN       LEU  40  -0.623 -20.205   5.723
  337    HA   LEU  40           HA       LEU  40  -1.086 -19.186   2.998
  338    HB2  LEU  40           HB2      LEU  40   0.782 -18.203   4.364
  339    HB3  LEU  40           HB1      LEU  40   1.552 -19.790   4.360
  340    HG   LEU  40           HG       LEU  40   1.503 -19.741   1.847
  341   HD11  LEU  40          HD11      LEU  40   0.205 -17.089   2.406
  342   HD12  LEU  40          HD12      LEU  40  -0.133 -18.261   1.134
  343   HD13  LEU  40          HD13      LEU  40   1.273 -17.215   1.006
  344   HD21  LEU  40          HD21      LEU  40   3.436 -18.377   1.638
  345   HD22  LEU  40          HD22      LEU  40   3.456 -18.948   3.306
  346   HD23  LEU  40          HD23      LEU  40   2.917 -17.309   2.940
  347    H    ASP  41           HN       ASP  41  -1.020 -20.494   1.280
  348    HA   ASP  41           HA       ASP  41  -1.354 -23.178   1.335
  349    HB2  ASP  41           HB2      ASP  41   0.109 -21.569  -0.753
  350    HB3  ASP  41           HB1      ASP  41  -0.401 -23.240  -0.982
  351    H    GLU  42           HN       GLU  42   1.697 -21.493   1.528
  352    HA   GLU  42           HA       GLU  42   3.309 -23.857   1.316
  353    HB2  GLU  42           HB2      GLU  42   3.879 -21.053   2.246
  354    HB3  GLU  42           HB1      GLU  42   5.110 -22.315   2.179
  355    HG2  GLU  42           HG2      GLU  42   4.678 -22.612  -0.230
  356    HG3  GLU  42           HG1      GLU  42   3.439 -21.360  -0.163
  357    H    ARG  43           HN       ARG  43   2.093 -21.861   3.974
  358    HA   ARG  43           HA       ARG  43   3.465 -23.315   5.999
  359    HB2  ARG  43           HB2      ARG  43   2.612 -20.967   6.230
  360    HB3  ARG  43           HB1      ARG  43   0.974 -21.622   6.290
  361    HG2  ARG  43           HG2      ARG  43   2.911 -22.899   8.186
  362    HG3  ARG  43           HG1      ARG  43   2.527 -21.214   8.524
  363    HD2  ARG  43           HD2      ARG  43   0.329 -23.194   7.968
  364    HD3  ARG  43           HD1      ARG  43   1.032 -23.050   9.577
  365    HE   ARG  43           HE       ARG  43   0.150 -20.557   8.345
  366   HH11  ARG  43          HH21      ARG  43  -0.535 -23.250  10.398
  367   HH12  ARG  43          HH22      ARG  43  -1.789 -22.443  11.274
  368   HH21  ARG  43          HH11      ARG  43  -1.501 -19.490   9.485
  369   HH22  ARG  43          HH12      ARG  43  -2.337 -20.313  10.756
  370    H    GLN  44           HN       GLN  44   0.555 -23.841   4.232
  371    HA   GLN  44           HA       GLN  44  -1.010 -25.298   5.990
  372    HB2  GLN  44           HB2      GLN  44  -0.553 -25.599   3.025
  373    HB3  GLN  44           HB1      GLN  44  -1.730 -26.581   3.895
  374    HG2  GLN  44           HG2      GLN  44  -2.827 -24.505   4.703
  375    HG3  GLN  44           HG1      GLN  44  -1.681 -23.555   3.760
  376   HE21  GLN  44          HE21      GLN  44  -4.040 -22.926   2.864
  377   HE22  GLN  44          HE22      GLN  44  -4.533 -23.811   1.502
  378    H    GLY  45           HN       GLY  45   1.795 -26.368   4.113
  379    HA2  GLY  45           HA2      GLY  45   1.601 -29.116   4.842
  380    HA3  GLY  45           HA1      GLY  45   3.021 -28.315   4.170
  381    H    LEU  46           HN       LEU  46   3.445 -26.351   6.092
  382    HA   LEU  46           HA       LEU  46   4.855 -27.814   8.048
  383    HB2  LEU  46           HB2      LEU  46   5.142 -25.322   7.098
  384    HB3  LEU  46           HB1      LEU  46   4.199 -24.926   8.534
  385    HG   LEU  46           HG       LEU  46   6.768 -26.542   8.516
  386   HD11  LEU  46          HD11      LEU  46   7.247 -24.228   8.036
  387   HD12  LEU  46          HD12      LEU  46   7.659 -24.536   9.720
  388   HD13  LEU  46          HD13      LEU  46   6.166 -23.689   9.322
  389   HD21  LEU  46          HD21      LEU  46   4.778 -25.806  10.654
  390   HD22  LEU  46          HD22      LEU  46   6.492 -25.922  11.076
  391   HD23  LEU  46          HD23      LEU  46   5.655 -27.314  10.408
  392    H    MET  47           HN       MET  47   1.744 -26.207   8.010
  393    HA   MET  47           HA       MET  47   1.117 -26.043  10.686
  394    HB2  MET  47           HB2      MET  47  -0.311 -25.340   8.700
  395    HB3  MET  47           HB1      MET  47  -0.831 -27.021   8.590
  396    HG2  MET  47           HG2      MET  47  -1.390 -26.761  11.135
  397    HG3  MET  47           HG1      MET  47  -1.334 -25.031  10.788
  398    HE1  MET  47           HE1      MET  47  -2.496 -24.800   7.767
  399    HE2  MET  47           HE2      MET  47  -2.571 -23.812   9.223
  400    HE3  MET  47           HE3      MET  47  -4.059 -24.270   8.401
  401    H    HIS  48           HN       HIS  48   0.825 -28.873   8.549
  402    HA   HIS  48           HA       HIS  48  -0.348 -30.616  10.426
  403    HB2  HIS  48           HB2      HIS  48   1.412 -31.148   8.027
  404    HB3  HIS  48           HB1      HIS  48   0.629 -32.424   8.959
  405    HD2  HIS  48           HD2      HIS  48  -2.189 -32.594   8.615
  406    HE1  HIS  48           HE1      HIS  48  -2.454 -29.599   5.652
  407    HE2  HIS  48           HE2      HIS  48  -3.730 -31.438   6.852
  408    H    GLU  49           HN       GLU  49   3.070 -30.141   9.539
  409    HA   GLU  49           HA       GLU  49   4.095 -32.014  11.405
  410    HB2  GLU  49           HB2      GLU  49   5.393 -31.220   9.469
  411    HB3  GLU  49           HB1      GLU  49   5.452 -29.607  10.172
  412    HG2  GLU  49           HG2      GLU  49   6.679 -30.452  12.109
  413    HG3  GLU  49           HG1      GLU  49   6.547 -32.101  11.500
  414    H    LEU  50           HN       LEU  50   3.174 -28.655  11.618
  415    HA   LEU  50           HA       LEU  50   4.534 -27.997  13.978
  416    HB2  LEU  50           HB2      LEU  50   3.059 -26.554  12.265
  417    HB3  LEU  50           HB1      LEU  50   1.793 -26.862  13.451
  418    HG   LEU  50           HG       LEU  50   2.901 -24.772  14.024
  419   HD11  LEU  50          HD11      LEU  50   2.299 -26.544  15.832
  420   HD12  LEU  50          HD12      LEU  50   3.350 -25.205  16.298
  421   HD13  LEU  50          HD13      LEU  50   4.042 -26.782  15.945
  422   HD21  LEU  50          HD21      LEU  50   5.179 -25.901  12.928
  423   HD22  LEU  50          HD22      LEU  50   5.553 -25.959  14.640
  424   HD23  LEU  50          HD23      LEU  50   5.156 -24.422  13.875
  425    H    MET  51           HN       MET  51   1.286 -29.313  13.452
  426    HA   MET  51           HA       MET  51   0.548 -29.383  16.181
  427    HB2  MET  51           HB2      MET  51  -1.070 -29.538  14.309
  428    HB3  MET  51           HB1      MET  51  -0.434 -31.133  13.915
  429    HG2  MET  51           HG2      MET  51  -1.421 -30.547  16.704
  430    HG3  MET  51           HG1      MET  51  -2.556 -30.976  15.425
  431    HE1  MET  51           HE1      MET  51  -1.809 -33.047  13.690
  432    HE2  MET  51           HE2      MET  51  -3.172 -33.160  14.800
  433    HE3  MET  51           HE3      MET  51  -2.080 -34.530  14.616
  434    H    GLU  52           HN       GLU  52   1.995 -31.803  14.032
  435    HA   GLU  52           HA       GLU  52   2.044 -33.889  15.971
  436    HB2  GLU  52           HB2      GLU  52   3.646 -33.488  13.433
  437    HB3  GLU  52           HB1      GLU  52   3.637 -34.973  14.386
  438    HG2  GLU  52           HG2      GLU  52   1.134 -33.699  13.251
  439    HG3  GLU  52           HG1      GLU  52   2.033 -34.977  12.434
  440    H    LEU  53           HN       LEU  53   4.355 -31.428  14.951
  441    HA   LEU  53           HA       LEU  53   6.574 -32.385  16.370
  442    HB2  LEU  53           HB2      LEU  53   6.793 -30.658  14.658
  443    HB3  LEU  53           HB1      LEU  53   5.833 -29.540  15.626
  444    HG   LEU  53           HG       LEU  53   7.552 -29.586  17.402
  445   HD11  LEU  53          HD11      LEU  53   8.553 -31.696  17.338
  446   HD12  LEU  53          HD12      LEU  53   9.807 -30.699  16.608
  447   HD13  LEU  53          HD13      LEU  53   8.748 -31.673  15.587
  448   HD21  LEU  53          HD21      LEU  53   8.913 -29.106  14.751
  449   HD22  LEU  53          HD22      LEU  53   9.187 -28.277  16.283
  450   HD23  LEU  53          HD23      LEU  53   7.684 -28.017  15.398
  451    H    ILE  54           HN       ILE  54   3.987 -30.159  17.298
  452    HA   ILE  54           HA       ILE  54   5.006 -29.462  19.816
  453    HB   ILE  54           HB       ILE  54   2.189 -29.530  18.760
  454   HG12  ILE  54          HG12      ILE  54   4.133 -27.908  17.946
  455   HG13  ILE  54          HG11      ILE  54   2.521 -27.281  18.256
  456   HG21  ILE  54          HG21      ILE  54   3.279 -28.650  21.443
  457   HG22  ILE  54          HG22      ILE  54   1.891 -29.680  21.119
  458   HG23  ILE  54          HG23      ILE  54   1.803 -27.952  20.782
  459   HD11  ILE  54          HD11      ILE  54   4.545 -26.003  19.281
  460   HD12  ILE  54          HD12      ILE  54   4.570 -27.313  20.462
  461   HD13  ILE  54          HD13      ILE  54   3.139 -26.304  20.298
  462    H    ASP  55           HN       ASP  55   2.877 -32.080  18.788
  463    HA   ASP  55           HA       ASP  55   2.178 -33.071  21.296
  464    HB2  ASP  55           HB2      ASP  55   2.500 -34.449  18.629
  465    HB3  ASP  55           HB1      ASP  55   1.842 -35.246  20.057
  466    H    LEU  56           HN       LEU  56   5.079 -33.438  19.392
  467    HA   LEU  56           HA       LEU  56   6.130 -35.547  21.082
  468    HB2  LEU  56           HB2      LEU  56   7.399 -33.957  18.846
  469    HB3  LEU  56           HB1      LEU  56   8.149 -35.330  19.661
  470    HG   LEU  56           HG       LEU  56   5.477 -35.453  18.232
  471   HD11  LEU  56          HD11      LEU  56   8.151 -36.515  17.287
  472   HD12  LEU  56          HD12      LEU  56   7.444 -35.002  16.719
  473   HD13  LEU  56          HD13      LEU  56   6.626 -36.534  16.404
  474   HD21  LEU  56          HD21      LEU  56   5.435 -37.254  19.711
  475   HD22  LEU  56          HD22      LEU  56   7.188 -37.441  19.716
  476   HD23  LEU  56          HD23      LEU  56   6.244 -38.003  18.338
  477    H    TYR  57           HN       TYR  57   6.320 -32.094  20.800
  478    HA   TYR  57           HA       TYR  57   8.619 -31.893  22.582
  479    HB2  TYR  57           HB2      TYR  57   6.970 -29.979  20.970
  480    HB3  TYR  57           HB1      TYR  57   7.895 -29.342  22.328
  481    HD1  TYR  57           HD1      TYR  57   8.537 -32.001  19.741
  482    HD2  TYR  57           HD2      TYR  57   9.897 -28.378  21.610
  483    HE1  TYR  57           HE1      TYR  57  10.604 -32.070  18.377
  484    HE2  TYR  57           HE2      TYR  57  11.956 -28.446  20.240
  485    HH   TYR  57           HH       TYR  57  13.258 -29.867  18.953
  486    H    GLU  58           HN       GLU  58   5.156 -31.728  22.750
  487    HA   GLU  58           HA       GLU  58   4.931 -30.272  25.143
  488    HB2  GLU  58           HB2      GLU  58   2.671 -30.833  25.102
  489    HB3  GLU  58           HB1      GLU  58   3.107 -30.977  23.411
  490    HG2  GLU  58           HG2      GLU  58   3.545 -33.441  23.852
  491    HG3  GLU  58           HG1      GLU  58   2.783 -33.218  25.418
  492    H    GLU  59           HN       GLU  59   5.371 -33.688  24.459
  493    HA   GLU  59           HA       GLU  59   5.245 -34.401  27.289
  494    HB2  GLU  59           HB2      GLU  59   4.225 -35.852  25.506
  495    HB3  GLU  59           HB1      GLU  59   5.857 -36.190  24.926
  496    HG2  GLU  59           HG2      GLU  59   6.480 -37.184  27.040
  497    HG3  GLU  59           HG1      GLU  59   4.967 -36.672  27.784
  498    H    SER  60           HN       SER  60   7.554 -33.410  24.996
  499    HA   SER  60           HA       SER  60   9.796 -34.918  25.684
  500    HB2  SER  60           HB2      SER  60   9.970 -33.500  23.791
  501    HB3  SER  60           HB1      SER  60   9.491 -32.083  24.718
  502    HG   SER  60           HG       SER  60  11.871 -33.593  25.045
  503    H    GLN  61           HN       GLN  61   8.988 -31.670  26.903
  504    HA   GLN  61           HA       GLN  61  10.624 -32.244  29.303
  505    HB2  GLN  61           HB2      GLN  61  10.660 -30.044  27.526
  506    HB3  GLN  61           HB1      GLN  61   9.932 -29.428  29.004
  507    HG2  GLN  61           HG2      GLN  61  12.297 -29.134  29.201
  508    HG3  GLN  61           HG1      GLN  61  11.845 -30.462  30.269
  509   HE21  GLN  61          HE21      GLN  61  11.523 -31.714  27.206
  510   HE22  GLN  61          HE22      GLN  61  13.075 -32.377  27.014
  511    HA   PRO  62           HA       PRO  62   6.614 -30.611  31.063
  512    HB2  PRO  62           HB2      PRO  62   4.683 -29.579  29.397
  513    HB3  PRO  62           HB1      PRO  62   6.100 -28.652  29.901
  514    HG2  PRO  62           HG2      PRO  62   5.470 -29.772  27.270
  515    HG3  PRO  62           HG1      PRO  62   6.649 -28.533  27.695
  516    HD2  PRO  62           HD2      PRO  62   7.134 -31.362  27.199
  517    HD3  PRO  62           HD1      PRO  62   8.296 -30.071  27.479
  518    H    SER  63           HN       SER  63   6.739 -33.131  30.829
  519    HA   SER  63           HA       SER  63   4.382 -34.304  29.558
  520    HB2  SER  63           HB2      SER  63   5.311 -36.422  30.175
  521    HB3  SER  63           HB1      SER  63   6.618 -35.443  29.520
  522    HG   SER  63           HG       SER  63   7.506 -36.045  31.356
  523    H    SER  64           HN       SER  64   4.994 -32.664  32.353
  524    HA   SER  64           HA       SER  64   3.634 -34.315  34.263
  525    HB2  SER  64           HB2      SER  64   4.484 -31.423  34.240
  526    HB3  SER  64           HB1      SER  64   3.570 -32.112  35.579
  527    HG   SER  64           HG       SER  64   5.329 -33.828  35.393
  528    H    GLU  65           HN       GLU  65   2.228 -33.715  31.725
  529    HA   GLU  65           HA       GLU  65   0.027 -33.481  31.117
  530    HB2  GLU  65           HB2      GLU  65  -0.281 -34.290  33.604
  531    HB3  GLU  65           HB1      GLU  65  -0.722 -32.610  33.904
  532    HG2  GLU  65           HG2      GLU  65  -2.765 -33.728  33.409
  533    HG3  GLU  65           HG1      GLU  65  -2.346 -32.827  31.953
  534    H    ARG  66           HN       ARG  66   2.069 -31.163  32.091
  535    HA   ARG  66           HA       ARG  66   0.430 -28.849  32.275
  536    HB2  ARG  66           HB2      ARG  66   3.323 -29.066  31.421
  537    HB3  ARG  66           HB1      ARG  66   2.509 -27.611  31.988
  538    HG2  ARG  66           HG2      ARG  66   2.644 -30.104  33.685
  539    HG3  ARG  66           HG1      ARG  66   3.933 -28.905  33.711
  540    HD2  ARG  66           HD2      ARG  66   2.195 -27.164  34.257
  541    HD3  ARG  66           HD1      ARG  66   1.016 -28.459  34.411
  542    HE   ARG  66           HE       ARG  66   3.212 -27.882  36.241
  543   HH11  ARG  66          HH21      ARG  66   0.697 -30.018  35.187
  544   HH12  ARG  66          HH22      ARG  66   0.631 -30.895  36.677
  545   HH21  ARG  66          HH11      ARG  66   3.132 -29.030  38.191
  546   HH22  ARG  66          HH12      ARG  66   2.012 -30.338  38.377
  547    H    LEU  67           HN       LEU  67   1.328 -30.817  29.660
  548    HA   LEU  67           HA       LEU  67   1.513 -29.030  27.533
  549    HB2  LEU  67           HB2      LEU  67   0.629 -30.885  26.139
  550    HB3  LEU  67           HB1      LEU  67   1.934 -31.380  27.219
  551    HG   LEU  67           HG       LEU  67  -0.337 -31.800  28.803
  552   HD11  LEU  67          HD11      LEU  67  -1.661 -31.337  26.664
  553   HD12  LEU  67          HD12      LEU  67  -2.024 -32.844  27.504
  554   HD13  LEU  67          HD13      LEU  67  -1.014 -32.860  26.059
  555   HD21  LEU  67          HD21      LEU  67   1.132 -33.715  26.973
  556   HD22  LEU  67          HD22      LEU  67   0.039 -34.217  28.261
  557   HD23  LEU  67          HD23      LEU  67   1.523 -33.345  28.651
  558    H    ASN  68           HN       ASN  68  -1.160 -29.785  29.553
  559    HA   ASN  68           HA       ASN  68  -3.351 -29.324  27.883
  560    HB2  ASN  68           HB2      ASN  68  -3.602 -30.131  30.182
  561    HB3  ASN  68           HB1      ASN  68  -3.004 -28.594  30.804
  562   HD21  ASN  68          HD21      ASN  68  -5.488 -29.214  31.715
  563   HD22  ASN  68          HD22      ASN  68  -6.690 -28.329  30.905
  564    H    ALA  69           HN       ALA  69  -1.226 -27.062  29.575
  565    HA   ALA  69           HA       ALA  69  -2.692 -24.706  28.961
  566    HB1  ALA  69           HB1      ALA  69  -0.432 -23.587  29.376
  567    HB2  ALA  69           HB2      ALA  69   0.194 -25.207  29.689
  568    HB3  ALA  69           HB3      ALA  69  -1.087 -24.544  30.705
  569    H    PHE  70           HN       PHE  70  -0.169 -26.514  27.301
  570    HA   PHE  70           HA       PHE  70   0.124 -24.563  25.186
  571    HB2  PHE  70           HB2      PHE  70   1.188 -27.357  25.618
  572    HB3  PHE  70           HB1      PHE  70   1.476 -26.459  24.128
  573    HD1  PHE  70           HD2      PHE  70   2.123 -26.578  27.761
  574    HD2  PHE  70           HD1      PHE  70   2.917 -24.504  24.085
  575    HE1  PHE  70           HE2      PHE  70   3.976 -25.345  28.856
  576    HE2  PHE  70           HE1      PHE  70   4.768 -23.270  25.180
  577    HZ   PHE  70           HZ       PHE  70   5.299 -23.691  27.566
  578    H    ARG  71           HN       ARG  71  -1.986 -27.146  25.906
  579    HA   ARG  71           HA       ARG  71  -2.635 -28.115  23.365
  580    HB2  ARG  71           HB2      ARG  71  -3.432 -29.101  25.513
  581    HB3  ARG  71           HB1      ARG  71  -4.528 -27.732  25.689
  582    HG2  ARG  71           HG2      ARG  71  -5.604 -28.314  23.541
  583    HG3  ARG  71           HG1      ARG  71  -4.523 -29.700  23.388
  584    HD2  ARG  71           HD2      ARG  71  -5.407 -30.545  25.580
  585    HD3  ARG  71           HD1      ARG  71  -6.579 -29.230  25.561
  586    HE   ARG  71           HE       ARG  71  -6.782 -30.616  23.123
  587   HH11  ARG  71          HH21      ARG  71  -7.275 -31.084  26.517
  588   HH12  ARG  71          HH22      ARG  71  -8.557 -32.230  26.312
  589   HH21  ARG  71          HH11      ARG  71  -8.463 -32.116  22.847
  590   HH22  ARG  71          HH12      ARG  71  -9.231 -32.814  24.235
  591    H    GLU  72           HN       GLU  72  -3.404 -25.125  24.944
  592    HA   GLU  72           HA       GLU  72  -5.631 -24.356  23.384
  593    HB2  GLU  72           HB2      GLU  72  -3.525 -22.719  24.810
  594    HB3  GLU  72           HB1      GLU  72  -4.955 -22.020  24.051
  595    HG2  GLU  72           HG2      GLU  72  -5.049 -24.181  26.167
  596    HG3  GLU  72           HG1      GLU  72  -5.234 -22.462  26.508
  597    H    LEU  73           HN       LEU  73  -2.162 -24.126  22.916
  598    HA   LEU  73           HA       LEU  73  -2.245 -22.458  20.628
  599    HB2  LEU  73           HB2      LEU  73  -0.187 -22.734  21.913
  600    HB3  LEU  73           HB1      LEU  73  -0.147 -24.453  21.526
  601    HG   LEU  73           HG       LEU  73   0.105 -23.927  19.130
  602   HD11  LEU  73          HD11      LEU  73  -1.015 -21.926  18.711
  603   HD12  LEU  73          HD12      LEU  73   0.655 -21.367  18.705
  604   HD13  LEU  73          HD13      LEU  73  -0.352 -21.124  20.133
  605   HD21  LEU  73          HD21      LEU  73   2.355 -23.077  19.202
  606   HD22  LEU  73          HD22      LEU  73   2.108 -24.048  20.655
  607   HD23  LEU  73          HD23      LEU  73   2.064 -22.285  20.750
  608    H    ARG  74           HN       ARG  74  -2.224 -25.955  21.079
  609    HA   ARG  74           HA       ARG  74  -1.969 -26.697  18.385
  610    HB2  ARG  74           HB2      ARG  74  -3.184 -28.071  20.777
  611    HB3  ARG  74           HB1      ARG  74  -3.164 -28.830  19.186
  612    HG2  ARG  74           HG2      ARG  74  -0.662 -28.471  19.135
  613    HG3  ARG  74           HG1      ARG  74  -0.766 -27.923  20.810
  614    HD2  ARG  74           HD2      ARG  74  -1.812 -30.605  19.880
  615    HD3  ARG  74           HD1      ARG  74  -0.191 -30.378  20.513
  616    HE   ARG  74           HE       ARG  74  -1.805 -29.294  22.431
  617   HH11  ARG  74          HH21      ARG  74  -1.596 -32.307  20.763
  618   HH12  ARG  74          HH22      ARG  74  -2.229 -33.241  22.078
  619   HH21  ARG  74          HH11      ARG  74  -2.642 -30.503  24.167
  620   HH22  ARG  74          HH12      ARG  74  -2.823 -32.218  24.005
  621    H    THR  75           HN       THR  75  -4.712 -25.691  20.295
  622    HA   THR  75           HA       THR  75  -6.781 -26.509  18.600
  623    HB   THR  75           HB       THR  75  -6.626 -24.107  20.357
  624    HG1  THR  75           HG1      THR  75  -7.786 -26.640  20.796
  625   HG21  THR  75          HG21      THR  75  -8.419 -23.785  18.815
  626   HG22  THR  75          HG22      THR  75  -9.135 -24.332  20.331
  627   HG23  THR  75          HG23      THR  75  -8.934 -25.461  18.992
  628    H    GLN  76           HN       GLN  76  -4.845 -23.547  18.650
  629    HA   GLN  76           HA       GLN  76  -6.168 -22.184  16.576
  630    HB2  GLN  76           HB2      GLN  76  -3.274 -22.093  17.465
  631    HB3  GLN  76           HB1      GLN  76  -3.999 -20.953  16.331
  632    HG2  GLN  76           HG2      GLN  76  -5.629 -20.260  18.019
  633    HG3  GLN  76           HG1      GLN  76  -4.990 -21.451  19.152
  634   HE21  GLN  76          HE21      GLN  76  -4.788 -19.138  20.333
  635   HE22  GLN  76          HE22      GLN  76  -3.270 -18.396  20.161
  636    H    LEU  77           HN       LEU  77  -3.389 -24.390  16.515
  637    HA   LEU  77           HA       LEU  77  -2.988 -24.298  13.716
  638    HB2  LEU  77           HB2      LEU  77  -2.201 -26.208  15.906
  639    HB3  LEU  77           HB1      LEU  77  -1.889 -26.635  14.226
  640    HG   LEU  77           HG       LEU  77   0.020 -25.451  15.431
  641   HD11  LEU  77          HD11      LEU  77  -0.461 -25.480  12.866
  642   HD12  LEU  77          HD12      LEU  77   0.705 -24.325  13.489
  643   HD13  LEU  77          HD13      LEU  77  -0.916 -23.793  13.086
  644   HD21  LEU  77          HD21      LEU  77  -1.650 -22.957  15.045
  645   HD22  LEU  77          HD22      LEU  77  -0.141 -23.132  15.938
  646   HD23  LEU  77          HD23      LEU  77  -1.623 -23.834  16.569
  647    H    GLU  78           HN       GLU  78  -4.919 -26.366  15.786
  648    HA   GLU  78           HA       GLU  78  -5.741 -28.187  13.793
  649    HB2  GLU  78           HB2      GLU  78  -6.009 -28.460  16.293
  650    HB3  GLU  78           HB1      GLU  78  -7.352 -27.319  16.200
  651    HG2  GLU  78           HG2      GLU  78  -8.319 -29.506  16.061
  652    HG3  GLU  78           HG1      GLU  78  -8.369 -28.837  14.431
  653    H    LYS  79           HN       LYS  79  -7.166 -25.157  14.987
  654    HA   LYS  79           HA       LYS  79  -9.462 -25.224  13.326
  655    HB2  LYS  79           HB2      LYS  79  -8.035 -22.977  14.752
  656    HB3  LYS  79           HB1      LYS  79  -9.511 -22.732  13.816
  657    HG2  LYS  79           HG2      LYS  79 -10.670 -24.417  15.214
  658    HG3  LYS  79           HG1      LYS  79  -9.199 -24.629  16.162
  659    HD2  LYS  79           HD2      LYS  79  -9.267 -22.291  16.866
  660    HD3  LYS  79           HD1      LYS  79 -10.681 -22.004  15.851
  661    HE2  LYS  79           HE2      LYS  79 -10.627 -24.053  18.080
  662    HE3  LYS  79           HE1      LYS  79 -11.208 -22.402  18.295
  663    HZ1  LYS  79           HZ1      LYS  79 -12.290 -24.462  16.456
  664    HZ2  LYS  79           HZ2      LYS  79 -12.760 -22.829  16.421
  665    HZ3  LYS  79           HZ3      LYS  79 -13.065 -23.776  17.800
  666    H    ALA  80           HN       ALA  80  -6.237 -23.839  12.979
  667    HA   ALA  80           HA       ALA  80  -6.637 -22.382  10.634
  668    HB1  ALA  80           HB1      ALA  80  -4.290 -22.320  10.411
  669    HB2  ALA  80           HB2      ALA  80  -4.089 -23.900  11.170
  670    HB3  ALA  80           HB3      ALA  80  -4.547 -22.506  12.146
  671    H    LEU  81           HN       LEU  81  -6.005 -25.798  11.139
  672    HA   LEU  81           HA       LEU  81  -5.537 -26.512   8.453
  673    HB2  LEU  81           HB2      LEU  81  -5.010 -27.982  10.334
  674    HB3  LEU  81           HB1      LEU  81  -6.727 -28.145  10.704
  675    HG   LEU  81           HG       LEU  81  -6.060 -28.752   7.858
  676   HD11  LEU  81          HD11      LEU  81  -5.198 -31.051   8.488
  677   HD12  LEU  81          HD12      LEU  81  -4.932 -30.420  10.113
  678   HD13  LEU  81          HD13      LEU  81  -4.066 -29.722   8.745
  679   HD21  LEU  81          HD21      LEU  81  -8.268 -29.129   9.127
  680   HD22  LEU  81          HD22      LEU  81  -7.456 -30.477   9.919
  681   HD23  LEU  81          HD23      LEU  81  -7.672 -30.486   8.170
  682    H    GLY  82           HN       GLY  82  -8.365 -25.543  10.095
  683    HA2  GLY  82           HA2      GLY  82 -10.335 -26.925   8.593
  684    HA3  GLY  82           HA1      GLY  82 -10.583 -25.426   9.487
  685    H    LEU  83           HN       LEU  83  -8.325 -24.180   7.942
  686    HA   LEU  83           HA       LEU  83  -8.181 -22.725   6.164
  687    HB2  LEU  83           HB2      LEU  83  -9.374 -25.112   4.730
  688    HB3  LEU  83           HB1      LEU  83  -8.549 -23.759   3.955
  689    HG   LEU  83           HG       LEU  83  -7.299 -25.603   6.013
  690   HD11  LEU  83          HD11      LEU  83  -6.100 -26.618   4.189
  691   HD12  LEU  83          HD12      LEU  83  -6.739 -25.440   3.043
  692   HD13  LEU  83          HD13      LEU  83  -7.812 -26.642   3.760
  693   HD21  LEU  83          HD21      LEU  83  -6.063 -23.633   6.203
  694   HD22  LEU  83          HD22      LEU  83  -6.356 -23.155   4.531
  695   HD23  LEU  83          HD23      LEU  83  -5.188 -24.425   4.897
  696    H    GLU  84           HN       GLU  84 -10.731 -22.853   7.735
  697    HA   GLU  84           HA       GLU  84 -12.883 -22.324   5.935
  698    HB2  GLU  84           HB2      GLU  84 -12.509 -21.604   8.854
  699    HB3  GLU  84           HB1      GLU  84 -14.022 -21.440   7.961
  700    HG2  GLU  84           HG2      GLU  84 -12.505 -24.043   8.274
  701    HG3  GLU  84           HG1      GLU  84 -13.878 -23.571   9.274
  702    H    HIS  85           HN       HIS  85 -13.658 -20.409   5.151
  703    HA   HIS  85           HA       HIS  85 -11.816 -18.117   5.286
  704    HB2  HIS  85           HB2      HIS  85 -14.145 -18.787   3.479
  705    HB3  HIS  85           HB1      HIS  85 -13.290 -17.245   3.430
  706    HD2  HIS  85           HD2      HIS  85 -10.606 -17.400   2.438
  707    HE1  HIS  85           HE1      HIS  85 -10.863 -21.430   1.204
  708    HE2  HIS  85           HE2      HIS  85  -9.454 -19.320   1.094
  709    H    HIS  86           HN       HIS  86 -12.398 -17.539   7.465
  710    HA   HIS  86           HA       HIS  86 -15.128 -16.560   7.907
  711    HB2  HIS  86           HB2      HIS  86 -12.705 -16.866   9.689
  712    HB3  HIS  86           HB1      HIS  86 -14.163 -16.024  10.212
  713    HD2  HIS  86           HD2      HIS  86 -16.559 -17.757  10.140
  714    HE1  HIS  86           HE1      HIS  86 -14.289 -21.310  10.367
  715    HE2  HIS  86           HE2      HIS  86 -16.625 -20.332  10.569
  716    H    HIS  87           HN       HIS  87 -12.349 -15.386   6.518
  717    HA   HIS  87           HA       HIS  87 -12.026 -12.824   7.600
  718    HB2  HIS  87           HB2      HIS  87 -11.729 -13.627   4.695
  719    HB3  HIS  87           HB1      HIS  87 -10.993 -12.228   5.477
  720    HD2  HIS  87           HD2      HIS  87 -10.188 -15.922   4.864
  721    HE1  HIS  87           HE1      HIS  87  -7.559 -14.636   7.907
  722    HE2  HIS  87           HE2      HIS  87  -8.068 -16.510   6.270
  723    H    HIS  88           HN       HIS  88 -13.932 -13.744   4.707
  724    HA   HIS  88           HA       HIS  88 -15.523 -12.499   3.549
  725    HB2  HIS  88           HB2      HIS  88 -16.776 -13.747   5.265
  726    HB3  HIS  88           HB1      HIS  88 -16.599 -12.387   6.374
  727    HD2  HIS  88           HD2      HIS  88 -18.338 -13.058   2.860
  728    HE1  HIS  88           HE1      HIS  88 -20.214  -9.767   4.726
  729    HE2  HIS  88           HE2      HIS  88 -20.275 -11.313   2.712
  730    H    HIS  89           HN       HIS  89 -14.398 -10.646   2.886
  731    HA   HIS  89           HA       HIS  89 -15.189  -8.173   4.270
  732    HB2  HIS  89           HB2      HIS  89 -12.927  -8.837   5.134
  733    HB3  HIS  89           HB1      HIS  89 -12.317  -8.731   3.482
  734    HD2  HIS  89           HD2      HIS  89 -11.409  -6.200   2.879
  735    HE1  HIS  89           HE1      HIS  89 -13.611  -4.055   5.770
  736    HE2  HIS  89           HE2      HIS  89 -11.879  -3.855   3.924
  737    H    HIS  90           HN       HIS  90 -15.495  -6.449   2.878
  738    HA   HIS  90           HA       HIS  90 -15.674  -7.083   0.070
  739    HB2  HIS  90           HB2      HIS  90 -16.120  -4.459   1.520
  740    HB3  HIS  90           HB1      HIS  90 -16.509  -4.773  -0.172
  741    HD2  HIS  90           HD2      HIS  90 -18.096  -5.282   3.300
  742    HE1  HIS  90           HE1      HIS  90 -20.384  -7.566   0.584
  743    HE2  HIS  90           HE2      HIS  90 -20.283  -6.668   2.957
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  -6.568 -16.137  24.723
    2    H2   MET   1           HT2      MET   1  -7.797 -17.286  24.958
    3    H3   MET   1           HT3      MET   1  -8.032 -15.995  23.878
    4    HA   MET   1           HA       MET   1  -5.902 -18.017  23.506
    5    HB2  MET   1           HB2      MET   1  -7.600 -18.842  21.692
    6    HB3  MET   1           HB1      MET   1  -7.831 -19.352  23.364
    7    HG2  MET   1           HG2      MET   1  -9.481 -17.585  23.718
    8    HG3  MET   1           HG1      MET   1  -9.201 -16.966  22.090
    9    HE1  MET   1           HE1      MET   1 -12.070 -17.754  23.275
   10    HE2  MET   1           HE2      MET   1 -12.745 -18.420  21.790
   11    HE3  MET   1           HE3      MET   1 -11.696 -17.006  21.717
   12    H    GLY   2           HN       GLY   2  -4.826 -17.749  21.556
   13    HA2  GLY   2           HA2      GLY   2  -5.652 -16.022  19.467
   14    HA3  GLY   2           HA1      GLY   2  -4.526 -15.174  20.525
   15    H    VAL   3           HN       VAL   3  -4.466 -16.453  17.683
   16    HA   VAL   3           HA       VAL   3  -2.515 -18.505  17.718
   17    HB   VAL   3           HB       VAL   3  -3.935 -18.038  15.760
   18   HG11  VAL   3          HG11      VAL   3  -3.556 -16.080  14.383
   19   HG12  VAL   3          HG12      VAL   3  -2.214 -15.567  15.406
   20   HG13  VAL   3          HG13      VAL   3  -3.863 -15.536  16.033
   21   HG21  VAL   3          HG21      VAL   3  -1.035 -17.542  15.053
   22   HG22  VAL   3          HG22      VAL   3  -2.244 -18.410  14.107
   23   HG23  VAL   3          HG23      VAL   3  -1.621 -19.113  15.600
   24    H    TRP   4           HN       TRP   4  -2.319 -15.008  17.719
   25    HA   TRP   4           HA       TRP   4   0.523 -14.906  17.251
   26    HB2  TRP   4           HB2      TRP   4  -0.002 -12.449  18.217
   27    HB3  TRP   4           HB1      TRP   4  -0.428 -12.912  16.569
   28    HD1  TRP   4           HD1      TRP   4  -1.993 -12.717  20.081
   29    HE1  TRP   4           HE1      TRP   4  -4.534 -12.377  19.815
   30    HE3  TRP   4           HE3      TRP   4  -2.397 -13.056  15.003
   31    HZ2  TRP   4           HZ2      TRP   4  -6.482 -12.263  17.721
   32    HZ3  TRP   4           HZ3      TRP   4  -4.605 -12.830  13.900
   33    HH2  TRP   4           HH2      TRP   4  -6.645 -12.435  15.251
   34    H    THR   5           HN       THR   5   2.129 -14.912  18.693
   35    HA   THR   5           HA       THR   5   1.607 -14.425  21.523
   36    HB   THR   5           HB       THR   5   2.936 -16.536  22.078
   37    HG1  THR   5           HG1      THR   5   2.234 -16.997  19.377
   38   HG21  THR   5          HG21      THR   5   0.927 -17.932  22.010
   39   HG22  THR   5          HG22      THR   5   0.212 -16.875  20.793
   40   HG23  THR   5          HG23      THR   5   0.487 -16.276  22.429
   41    HA   PRO   6           HA       PRO   6   5.631 -12.808  19.398
   42    HB2  PRO   6           HB2      PRO   6   4.487 -10.438  20.861
   43    HB3  PRO   6           HB1      PRO   6   5.371 -10.488  19.323
   44    HG2  PRO   6           HG2      PRO   6   2.733 -10.194  19.373
   45    HG3  PRO   6           HG1      PRO   6   3.525 -11.187  18.133
   46    HD2  PRO   6           HD2      PRO   6   1.919 -12.065  20.497
   47    HD3  PRO   6           HD1      PRO   6   2.150 -12.837  18.917
   48    H    GLU   7           HN       GLU   7   7.226 -11.316  20.837
   49    HA   GLU   7           HA       GLU   7   8.322 -12.756  22.854
   50    HB2  GLU   7           HB2      GLU   7   8.131  -9.745  22.648
   51    HB3  GLU   7           HB1      GLU   7   9.185 -10.581  23.788
   52    HG2  GLU   7           HG2      GLU   7   9.252 -11.040  20.793
   53    HG3  GLU   7           HG1      GLU   7  10.316  -9.916  21.634
   54    H    VAL   8           HN       VAL   8   5.311 -11.132  22.978
   55    HA   VAL   8           HA       VAL   8   4.887 -10.457  25.599
   56    HB   VAL   8           HB       VAL   8   3.017 -11.964  23.738
   57   HG11  VAL   8          HG11      VAL   8   2.580 -10.573  26.391
   58   HG12  VAL   8          HG12      VAL   8   2.117 -12.211  25.930
   59   HG13  VAL   8          HG13      VAL   8   1.268 -10.828  25.240
   60   HG21  VAL   8          HG21      VAL   8   3.107  -9.011  24.408
   61   HG22  VAL   8          HG22      VAL   8   2.186  -9.803  23.126
   62   HG23  VAL   8          HG23      VAL   8   3.943  -9.704  23.017
   63    H    LEU   9           HN       LEU   9   4.819 -13.705  24.155
   64    HA   LEU   9           HA       LEU   9   4.000 -15.086  26.470
   65    HB2  LEU   9           HB2      LEU   9   4.383 -15.860  23.933
   66    HB3  LEU   9           HB1      LEU   9   5.939 -16.374  24.568
   67    HG   LEU   9           HG       LEU   9   4.409 -18.238  24.740
   68   HD11  LEU   9          HD11      LEU   9   5.996 -17.616  26.686
   69   HD12  LEU   9          HD12      LEU   9   4.726 -18.793  27.010
   70   HD13  LEU   9          HD13      LEU   9   4.534 -17.124  27.542
   71   HD21  LEU   9          HD21      LEU   9   2.532 -16.931  26.657
   72   HD22  LEU   9          HD22      LEU   9   2.207 -18.090  25.371
   73   HD23  LEU   9          HD23      LEU   9   2.393 -16.386  24.986
   74    H    LYS  10           HN       LYS  10   7.231 -14.314  25.212
   75    HA   LYS  10           HA       LYS  10   8.690 -15.577  27.272
   76    HB2  LYS  10           HB2      LYS  10   9.653 -14.830  25.108
   77    HB3  LYS  10           HB1      LYS  10   9.487 -13.159  25.641
   78    HG2  LYS  10           HG2      LYS  10  10.936 -13.649  27.598
   79    HG3  LYS  10           HG1      LYS  10  11.137 -15.302  27.024
   80    HD2  LYS  10           HD2      LYS  10  11.825 -12.904  25.312
   81    HD3  LYS  10           HD1      LYS  10  12.993 -13.631  26.412
   82    HE2  LYS  10           HE2      LYS  10  12.484 -15.860  25.227
   83    HE3  LYS  10           HE1      LYS  10  11.673 -14.890  23.998
   84    HZ1  LYS  10           HZ1      LYS  10  14.079 -15.394  23.582
   85    HZ2  LYS  10           HZ2      LYS  10  14.447 -14.358  24.877
   86    HZ3  LYS  10           HZ3      LYS  10  13.652 -13.755  23.503
   87    H    ALA  11           HN       ALA  11   7.233 -12.404  26.948
   88    HA   ALA  11           HA       ALA  11   8.433 -11.044  29.049
   89    HB1  ALA  11           HB1      ALA  11   5.470 -10.829  28.543
   90    HB2  ALA  11           HB2      ALA  11   6.631 -10.246  27.352
   91    HB3  ALA  11           HB3      ALA  11   6.615  -9.559  28.976
   92    H    ARG  12           HN       ARG  12   5.576 -13.166  29.123
   93    HA   ARG  12           HA       ARG  12   5.199 -12.997  31.936
   94    HB2  ARG  12           HB2      ARG  12   3.424 -13.722  30.380
   95    HB3  ARG  12           HB1      ARG  12   4.350 -15.174  30.011
   96    HG2  ARG  12           HG2      ARG  12   2.631 -15.674  31.685
   97    HG3  ARG  12           HG1      ARG  12   4.229 -15.844  32.402
   98    HD2  ARG  12           HD2      ARG  12   3.991 -13.926  33.704
   99    HD3  ARG  12           HD1      ARG  12   2.837 -13.186  32.597
  100    HE   ARG  12           HE       ARG  12   1.125 -14.320  33.690
  101   HH11  ARG  12          HH21      ARG  12   4.232 -15.564  34.569
  102   HH12  ARG  12          HH22      ARG  12   3.624 -16.549  35.858
  103   HH21  ARG  12          HH11      ARG  12   0.323 -15.598  35.372
  104   HH22  ARG  12          HH12      ARG  12   1.406 -16.569  36.314
  105    H    ALA  13           HN       ALA  13   6.881 -15.273  29.827
  106    HA   ALA  13           HA       ALA  13   7.713 -16.998  31.967
  107    HB1  ALA  13           HB1      ALA  13   7.426 -17.659  29.519
  108    HB2  ALA  13           HB2      ALA  13   8.896 -18.222  30.314
  109    HB3  ALA  13           HB3      ALA  13   8.959 -16.838  29.224
  110    H    SER  14           HN       SER  14   8.559 -13.933  31.207
  111    HA   SER  14           HA       SER  14  11.394 -13.974  31.325
  112    HB2  SER  14           HB2      SER  14  11.254 -11.620  31.563
  113    HB3  SER  14           HB1      SER  14   9.866 -12.060  30.576
  114    HG   SER  14           HG       SER  14   9.379 -12.189  33.266
  115    H    VAL  15           HN       VAL  15   9.016 -14.570  33.647
  116    HA   VAL  15           HA       VAL  15  10.165 -13.545  35.998
  117    HB   VAL  15           HB       VAL  15   8.832 -15.265  37.168
  118   HG11  VAL  15          HG11      VAL  15   6.603 -14.671  36.045
  119   HG12  VAL  15          HG12      VAL  15   7.559 -13.785  34.859
  120   HG13  VAL  15          HG13      VAL  15   7.610 -13.317  36.557
  121   HG21  VAL  15          HG21      VAL  15   7.440 -16.806  35.727
  122   HG22  VAL  15          HG22      VAL  15   9.164 -17.171  35.712
  123   HG23  VAL  15          HG23      VAL  15   8.432 -16.325  34.351
  124    H    ILE  16           HN       ILE  16  10.920 -16.351  34.064
  125    HA   ILE  16           HA       ILE  16  13.259 -16.897  35.776
  126    HB   ILE  16           HB       ILE  16  11.520 -18.477  36.472
  127   HG12  ILE  16          HG12      ILE  16  13.567 -19.897  34.744
  128   HG13  ILE  16          HG11      ILE  16  13.966 -19.123  36.279
  129   HG21  ILE  16          HG21      ILE  16  10.499 -18.382  33.997
  130   HG22  ILE  16          HG22      ILE  16  10.270 -19.792  35.026
  131   HG23  ILE  16          HG23      ILE  16  11.513 -19.808  33.778
  132   HD11  ILE  16          HD11      ILE  16  11.760 -21.173  36.038
  133   HD12  ILE  16          HD12      ILE  16  12.543 -20.588  37.506
  134   HD13  ILE  16          HD13      ILE  16  13.429 -21.624  36.387
  135    H    GLY  17           HN       GLY  17  14.818 -16.321  34.373
  136    HA2  GLY  17           HA2      GLY  17  14.618 -16.872  31.542
  137    HA3  GLY  17           HA1      GLY  17  15.988 -16.141  32.376
  138    H    LYS  18           HN       LYS  18  15.958 -18.287  30.354
  139    HA   LYS  18           HA       LYS  18  17.839 -20.014  31.634
  140    HB2  LYS  18           HB2      LYS  18  16.394 -22.117  30.931
  141    HB3  LYS  18           HB1      LYS  18  16.123 -21.334  32.487
  142    HG2  LYS  18           HG2      LYS  18  14.264 -20.058  31.575
  143    HG3  LYS  18           HG1      LYS  18  14.579 -20.694  29.960
  144    HD2  LYS  18           HD2      LYS  18  14.170 -22.999  30.836
  145    HD3  LYS  18           HD1      LYS  18  13.725 -22.290  32.390
  146    HE2  LYS  18           HE2      LYS  18  12.371 -21.665  29.751
  147    HE3  LYS  18           HE1      LYS  18  11.734 -22.760  30.978
  148    HZ1  LYS  18           HZ1      LYS  18  11.273 -20.092  30.856
  149    HZ2  LYS  18           HZ2      LYS  18  12.494 -20.202  32.030
  150    HZ3  LYS  18           HZ3      LYS  18  11.044 -21.067  32.224
  151    HA   PRO  19           HA       PRO  19  19.184 -20.276  27.426
  152    HB2  PRO  19           HB2      PRO  19  20.550 -22.663  27.443
  153    HB3  PRO  19           HB1      PRO  19  21.172 -21.176  28.184
  154    HG2  PRO  19           HG2      PRO  19  19.795 -23.492  29.468
  155    HG3  PRO  19           HG1      PRO  19  21.207 -22.575  30.022
  156    HD2  PRO  19           HD2      PRO  19  18.725 -22.142  31.041
  157    HD3  PRO  19           HD1      PRO  19  19.912 -20.830  30.867
  158    H    ILE  20           HN       ILE  20  17.672 -20.590  25.876
  159    HA   ILE  20           HA       ILE  20  16.030 -23.002  25.843
  160    HB   ILE  20           HB       ILE  20  16.053 -20.609  23.985
  161   HG12  ILE  20          HG12      ILE  20  14.178 -21.332  26.265
  162   HG13  ILE  20          HG11      ILE  20  15.466 -20.126  26.376
  163   HG21  ILE  20          HG21      ILE  20  13.809 -21.476  23.329
  164   HG22  ILE  20          HG22      ILE  20  14.077 -22.886  24.349
  165   HG23  ILE  20          HG23      ILE  20  15.089 -22.617  22.932
  166   HD11  ILE  20          HD11      ILE  20  12.949 -20.032  24.709
  167   HD12  ILE  20          HD12      ILE  20  14.349 -19.041  24.295
  168   HD13  ILE  20          HD13      ILE  20  13.557 -18.838  25.856
  169    H    GLY  21           HN       GLY  21  16.376 -24.717  24.588
  170    HA2  GLY  21           HA2      GLY  21  18.770 -24.998  23.073
  171    HA3  GLY  21           HA1      GLY  21  17.436 -26.147  23.124
  172    H    GLU  22           HN       GLU  22  19.003 -25.290  20.818
  173    HA   GLU  22           HA       GLU  22  17.837 -23.417  19.163
  174    HB2  GLU  22           HB2      GLU  22  18.949 -26.128  18.380
  175    HB3  GLU  22           HB1      GLU  22  18.667 -24.786  17.275
  176    HG2  GLU  22           HG2      GLU  22  20.935 -24.517  17.779
  177    HG3  GLU  22           HG1      GLU  22  20.178 -23.425  18.934
  178    H    SER  23           HN       SER  23  16.880 -26.801  19.661
  179    HA   SER  23           HA       SER  23  14.779 -26.833  17.770
  180    HB2  SER  23           HB2      SER  23  15.735 -28.884  18.734
  181    HB3  SER  23           HB1      SER  23  15.082 -28.451  20.312
  182    HG   SER  23           HG       SER  23  13.585 -28.854  17.928
  183    H    TYR  24           HN       TYR  24  14.851 -26.051  21.239
  184    HA   TYR  24           HA       TYR  24  12.009 -25.569  21.361
  185    HB2  TYR  24           HB2      TYR  24  14.243 -24.974  23.313
  186    HB3  TYR  24           HB1      TYR  24  12.528 -24.735  23.651
  187    HD1  TYR  24           HD2      TYR  24  15.136 -27.261  22.903
  188    HD2  TYR  24           HD1      TYR  24  11.061 -26.590  24.081
  189    HE1  TYR  24           HE2      TYR  24  14.918 -29.655  23.511
  190    HE2  TYR  24           HE1      TYR  24  10.842 -28.985  24.689
  191    HH   TYR  24           HH       TYR  24  12.107 -31.207  23.885
  192    H    LYS  25           HN       LYS  25  14.668 -23.842  20.234
  193    HA   LYS  25           HA       LYS  25  13.512 -21.206  20.808
  194    HB2  LYS  25           HB2      LYS  25  16.035 -21.789  20.931
  195    HB3  LYS  25           HB1      LYS  25  15.991 -21.723  19.171
  196    HG2  LYS  25           HG2      LYS  25  15.197 -19.428  19.222
  197    HG3  LYS  25           HG1      LYS  25  15.033 -19.480  20.976
  198    HD2  LYS  25           HD2      LYS  25  17.098 -18.337  20.460
  199    HD3  LYS  25           HD1      LYS  25  17.500 -19.914  21.134
  200    HE2  LYS  25           HE2      LYS  25  18.106 -20.793  19.026
  201    HE3  LYS  25           HE1      LYS  25  17.266 -19.512  18.150
  202    HZ1  LYS  25           HZ1      LYS  25  19.818 -19.386  19.623
  203    HZ2  LYS  25           HZ2      LYS  25  18.913 -17.977  19.339
  204    HZ3  LYS  25           HZ3      LYS  25  19.483 -18.902  18.033
  205    H    ARG  26           HN       ARG  26  13.962 -23.485  18.195
  206    HA   ARG  26           HA       ARG  26  13.329 -21.711  16.060
  207    HB2  ARG  26           HB2      ARG  26  14.533 -23.849  15.736
  208    HB3  ARG  26           HB1      ARG  26  13.065 -24.724  16.176
  209    HG2  ARG  26           HG2      ARG  26  11.865 -23.731  14.287
  210    HG3  ARG  26           HG1      ARG  26  13.280 -22.762  13.873
  211    HD2  ARG  26           HD2      ARG  26  13.273 -25.789  13.951
  212    HD3  ARG  26           HD1      ARG  26  13.024 -24.846  12.485
  213    HE   ARG  26           HE       ARG  26  15.396 -23.955  13.704
  214   HH11  ARG  26          HH21      ARG  26  14.054 -26.754  12.177
  215   HH12  ARG  26          HH22      ARG  26  15.574 -27.323  11.572
  216   HH21  ARG  26          HH11      ARG  26  17.393 -24.693  12.914
  217   HH22  ARG  26          HH12      ARG  26  17.465 -26.156  11.989
  218    H    ILE  27           HN       ILE  27  11.441 -23.903  18.091
  219    HA   ILE  27           HA       ILE  27   9.020 -23.775  16.695
  220    HB   ILE  27           HB       ILE  27   9.353 -25.392  18.471
  221   HG12  ILE  27          HG12      ILE  27   7.242 -23.425  19.403
  222   HG13  ILE  27          HG11      ILE  27   7.031 -24.485  18.004
  223   HG21  ILE  27          HG21      ILE  27  10.761 -23.705  19.844
  224   HG22  ILE  27          HG22      ILE  27   9.750 -24.839  20.729
  225   HG23  ILE  27          HG23      ILE  27   9.222 -23.172  20.513
  226   HD11  ILE  27          HD11      ILE  27   6.101 -25.403  20.174
  227   HD12  ILE  27          HD12      ILE  27   7.754 -25.500  20.766
  228   HD13  ILE  27          HD13      ILE  27   7.261 -26.452  19.368
  229    H    LEU  28           HN       LEU  28  10.192 -21.817  19.409
  230    HA   LEU  28           HA       LEU  28   7.956 -20.110  19.549
  231    HB2  LEU  28           HB2      LEU  28   9.637 -20.315  21.358
  232    HB3  LEU  28           HB1      LEU  28  10.826 -19.525  20.326
  233    HG   LEU  28           HG       LEU  28   9.382 -17.508  20.218
  234   HD11  LEU  28          HD11      LEU  28   7.539 -17.531  22.124
  235   HD12  LEU  28          HD12      LEU  28   7.563 -19.270  21.838
  236   HD13  LEU  28          HD13      LEU  28   7.169 -18.163  20.523
  237   HD21  LEU  28          HD21      LEU  28  11.137 -17.747  21.966
  238   HD22  LEU  28          HD22      LEU  28   9.933 -18.436  23.055
  239   HD23  LEU  28          HD23      LEU  28   9.780 -16.762  22.518
  240    H    ALA  29           HN       ALA  29  11.053 -19.824  17.848
  241    HA   ALA  29           HA       ALA  29  10.605 -17.241  16.784
  242    HB1  ALA  29           HB1      ALA  29  12.829 -18.356  16.889
  243    HB2  ALA  29           HB2      ALA  29  12.448 -17.739  15.282
  244    HB3  ALA  29           HB3      ALA  29  12.301 -19.463  15.621
  245    H    LYS  30           HN       LYS  30   9.462 -20.378  15.914
  246    HA   LYS  30           HA       LYS  30   8.917 -20.023  13.193
  247    HB2  LYS  30           HB2      LYS  30   8.632 -22.126  14.784
  248    HB3  LYS  30           HB1      LYS  30   6.980 -21.535  14.932
  249    HG2  LYS  30           HG2      LYS  30   6.752 -22.903  13.059
  250    HG3  LYS  30           HG1      LYS  30   7.134 -21.371  12.275
  251    HD2  LYS  30           HD2      LYS  30   9.629 -22.163  12.533
  252    HD3  LYS  30           HD1      LYS  30   8.909 -23.761  12.736
  253    HE2  LYS  30           HE2      LYS  30   7.744 -23.500  10.571
  254    HE3  LYS  30           HE1      LYS  30   8.483 -21.915  10.367
  255    HZ1  LYS  30           HZ1      LYS  30  10.461 -23.829  10.990
  256    HZ2  LYS  30           HZ2      LYS  30  10.314 -22.860   9.601
  257    HZ3  LYS  30           HZ3      LYS  30   9.548 -24.376   9.669
  258    H    LEU  31           HN       LEU  31   7.528 -18.572  15.955
  259    HA   LEU  31           HA       LEU  31   4.922 -18.043  15.081
  260    HB2  LEU  31           HB2      LEU  31   5.720 -17.622  17.389
  261    HB3  LEU  31           HB1      LEU  31   6.703 -16.288  16.791
  262    HG   LEU  31           HG       LEU  31   4.661 -15.144  15.982
  263   HD11  LEU  31          HD11      LEU  31   3.385 -17.699  16.918
  264   HD12  LEU  31          HD12      LEU  31   3.034 -16.729  15.489
  265   HD13  LEU  31          HD13      LEU  31   2.468 -16.200  17.068
  266   HD21  LEU  31          HD21      LEU  31   4.268 -15.972  18.859
  267   HD22  LEU  31          HD22      LEU  31   3.923 -14.406  18.124
  268   HD23  LEU  31          HD23      LEU  31   5.593 -14.920  18.361
  269    H    GLN  32           HN       GLN  32   7.973 -16.381  14.464
  270    HA   GLN  32           HA       GLN  32   7.033 -14.057  13.270
  271    HB2  GLN  32           HB2      GLN  32   9.481 -15.726  12.666
  272    HB3  GLN  32           HB1      GLN  32   9.195 -14.133  11.963
  273    HG2  GLN  32           HG2      GLN  32   9.084 -13.138  14.199
  274    HG3  GLN  32           HG1      GLN  32   9.294 -14.726  14.935
  275   HE21  GLN  32          HE21      GLN  32  11.392 -14.768  15.768
  276   HE22  GLN  32          HE22      GLN  32  12.775 -14.269  14.920
  277    H    ARG  33           HN       ARG  33   7.543 -17.271  11.854
  278    HA   ARG  33           HA       ARG  33   6.893 -16.550   9.193
  279    HB2  ARG  33           HB2      ARG  33   7.168 -19.081  10.744
  280    HB3  ARG  33           HB1      ARG  33   6.212 -19.189   9.271
  281    HG2  ARG  33           HG2      ARG  33   8.917 -17.850   9.233
  282    HG3  ARG  33           HG1      ARG  33   8.791 -19.605   9.142
  283    HD2  ARG  33           HD2      ARG  33   7.266 -19.373   7.192
  284    HD3  ARG  33           HD1      ARG  33   7.476 -17.628   7.248
  285    HE   ARG  33           HE       ARG  33   9.452 -19.592   6.366
  286   HH11  ARG  33          HH21      ARG  33   8.719 -16.335   7.301
  287   HH12  ARG  33          HH22      ARG  33  10.107 -15.656   6.520
  288   HH21  ARG  33          HH11      ARG  33  11.269 -18.708   5.352
  289   HH22  ARG  33          HH12      ARG  33  11.552 -17.001   5.418
  290    H    ILE  34           HN       ILE  34   4.956 -17.831  11.864
  291    HA   ILE  34           HA       ILE  34   2.532 -18.020  10.417
  292    HB   ILE  34           HB       ILE  34   3.081 -17.710  13.372
  293   HG12  ILE  34          HG12      ILE  34   2.196 -20.123  11.767
  294   HG13  ILE  34          HG11      ILE  34   3.884 -19.779  12.139
  295   HG21  ILE  34          HG21      ILE  34   0.518 -18.116  11.828
  296   HG22  ILE  34          HG22      ILE  34   0.850 -16.954  13.107
  297   HG23  ILE  34          HG23      ILE  34   0.679 -18.664  13.496
  298   HD11  ILE  34          HD11      ILE  34   3.539 -20.033  14.470
  299   HD12  ILE  34          HD12      ILE  34   2.635 -21.357  13.738
  300   HD13  ILE  34          HD13      ILE  34   1.786 -19.923  14.305
  301    H    HIS  35           HN       HIS  35   3.927 -15.466  12.440
  302    HA   HIS  35           HA       HIS  35   1.774 -13.706  12.488
  303    HB2  HIS  35           HB2      HIS  35   3.810 -13.391  13.826
  304    HB3  HIS  35           HB1      HIS  35   4.726 -13.048  12.357
  305    HD2  HIS  35           HD2      HIS  35   4.720 -10.369  11.683
  306    HE1  HIS  35           HE1      HIS  35   1.376  -9.190  13.975
  307    HE2  HIS  35           HE2      HIS  35   3.237  -8.364  12.459
  308    H    ASN  36           HN       ASN  36   4.431 -13.902  10.117
  309    HA   ASN  36           HA       ASN  36   3.194 -11.891   8.422
  310    HB2  ASN  36           HB2      ASN  36   5.690 -12.193   8.713
  311    HB3  ASN  36           HB1      ASN  36   5.540 -13.672   7.765
  312   HD21  ASN  36          HD21      ASN  36   7.100 -12.069   6.417
  313   HD22  ASN  36          HD22      ASN  36   6.300 -11.163   5.225
  314    H    SER  37           HN       SER  37   3.880 -15.368   8.251
  315    HA   SER  37           HA       SER  37   2.400 -15.677   5.775
  316    HB2  SER  37           HB2      SER  37   4.529 -16.995   6.625
  317    HB3  SER  37           HB1      SER  37   3.325 -18.017   7.403
  318    HG   SER  37           HG       SER  37   2.642 -17.368   4.854
  319    H    ASN  38           HN       ASN  38   1.166 -14.877   8.479
  320    HA   ASN  38           HA       ASN  38  -0.416 -16.788   9.624
  321    HB2  ASN  38           HB2      ASN  38  -0.376 -14.333  10.192
  322    HB3  ASN  38           HB1      ASN  38  -1.442 -14.063   8.816
  323   HD21  ASN  38          HD21      ASN  38  -1.242 -15.931  11.881
  324   HD22  ASN  38          HD22      ASN  38  -2.921 -15.980  12.130
  325    H    ILE  39           HN       ILE  39  -1.772 -18.233   8.872
  326    HA   ILE  39           HA       ILE  39  -3.083 -19.410   7.379
  327    HB   ILE  39           HB       ILE  39  -4.453 -16.746   7.044
  328   HG12  ILE  39          HG12      ILE  39  -4.746 -18.757   9.264
  329   HG13  ILE  39          HG11      ILE  39  -3.974 -17.188   9.432
  330   HG21  ILE  39          HG21      ILE  39  -5.612 -19.530   7.217
  331   HG22  ILE  39          HG22      ILE  39  -5.141 -18.799   5.683
  332   HG23  ILE  39          HG23      ILE  39  -6.410 -18.060   6.657
  333   HD11  ILE  39          HD11      ILE  39  -6.138 -16.151   8.631
  334   HD12  ILE  39          HD12      ILE  39  -6.238 -16.940  10.205
  335   HD13  ILE  39          HD13      ILE  39  -6.873 -17.747   8.772
  336    H    LEU  40           HN       LEU  40  -0.981 -19.218   5.998
  337    HA   LEU  40           HA       LEU  40  -1.680 -17.957   3.404
  338    HB2  LEU  40           HB2      LEU  40   0.293 -16.914   4.542
  339    HB3  LEU  40           HB1      LEU  40   1.100 -18.478   4.479
  340    HG   LEU  40           HG       LEU  40   0.846 -18.475   1.992
  341   HD11  LEU  40          HD11      LEU  40  -0.935 -17.098   1.406
  342   HD12  LEU  40          HD12      LEU  40   0.412 -16.008   1.101
  343   HD13  LEU  40          HD13      LEU  40  -0.515 -15.864   2.594
  344   HD21  LEU  40          HD21      LEU  40   2.294 -16.150   3.289
  345   HD22  LEU  40          HD22      LEU  40   2.526 -16.621   1.605
  346   HD23  LEU  40          HD23      LEU  40   2.949 -17.741   2.899
  347    H    ASP  41           HN       ASP  41  -1.358 -19.136   1.554
  348    HA   ASP  41           HA       ASP  41  -1.850 -21.809   1.475
  349    HB2  ASP  41           HB2      ASP  41  -0.202 -20.138  -0.425
  350    HB3  ASP  41           HB1      ASP  41  -0.671 -21.802  -0.769
  351    H    GLU  42           HN       GLU  42   1.335 -20.283   1.703
  352    HA   GLU  42           HA       GLU  42   2.806 -22.725   1.597
  353    HB2  GLU  42           HB2      GLU  42   3.770 -20.490   1.106
  354    HB3  GLU  42           HB1      GLU  42   3.609 -20.077   2.812
  355    HG2  GLU  42           HG2      GLU  42   5.079 -21.949   3.426
  356    HG3  GLU  42           HG1      GLU  42   5.212 -22.416   1.732
  357    H    ARG  43           HN       ARG  43   1.535 -20.718   4.216
  358    HA   ARG  43           HA       ARG  43   2.720 -22.151   6.362
  359    HB2  ARG  43           HB2      ARG  43   1.748 -19.860   6.565
  360    HB3  ARG  43           HB1      ARG  43   0.140 -20.569   6.389
  361    HG2  ARG  43           HG2      ARG  43   0.708 -22.059   8.372
  362    HG3  ARG  43           HG1      ARG  43   2.144 -21.070   8.601
  363    HD2  ARG  43           HD2      ARG  43   0.779 -19.084   8.895
  364    HD3  ARG  43           HD1      ARG  43  -0.681 -19.995   8.516
  365    HE   ARG  43           HE       ARG  43   0.914 -20.902  10.809
  366   HH11  ARG  43          HH21      ARG  43  -1.862 -19.230   9.570
  367   HH12  ARG  43          HH22      ARG  43  -2.727 -19.280  11.067
  368   HH21  ARG  43          HH11      ARG  43  -0.225 -20.956  12.777
  369   HH22  ARG  43          HH12      ARG  43  -1.805 -20.254  12.876
  370    H    GLN  44           HN       GLN  44  -0.342 -22.500   4.607
  371    HA   GLN  44           HA       GLN  44  -1.830 -24.158   6.150
  372    HB2  GLN  44           HB2      GLN  44  -1.272 -24.417   3.189
  373    HB3  GLN  44           HB1      GLN  44  -2.525 -25.333   4.023
  374    HG2  GLN  44           HG2      GLN  44  -3.585 -23.230   4.752
  375    HG3  GLN  44           HG1      GLN  44  -2.330 -22.311   3.933
  376   HE21  GLN  44          HE21      GLN  44  -4.555 -21.533   2.863
  377   HE22  GLN  44          HE22      GLN  44  -4.987 -22.357   1.445
  378    H    GLY  45           HN       GLY  45   0.932 -25.204   4.154
  379    HA2  GLY  45           HA2      GLY  45   0.767 -27.953   4.867
  380    HA3  GLY  45           HA1      GLY  45   2.165 -27.147   4.160
  381    H    LEU  46           HN       LEU  46   2.470 -25.159   6.180
  382    HA   LEU  46           HA       LEU  46   4.087 -26.586   7.992
  383    HB2  LEU  46           HB2      LEU  46   4.669 -24.309   7.456
  384    HB3  LEU  46           HB1      LEU  46   3.120 -23.723   8.056
  385    HG   LEU  46           HG       LEU  46   3.704 -24.413  10.334
  386   HD11  LEU  46          HD11      LEU  46   6.141 -25.152  10.709
  387   HD12  LEU  46          HD12      LEU  46   6.186 -25.497   8.982
  388   HD13  LEU  46          HD13      LEU  46   5.064 -26.363  10.024
  389   HD21  LEU  46          HD21      LEU  46   5.476 -22.809  10.764
  390   HD22  LEU  46          HD22      LEU  46   4.423 -22.180   9.497
  391   HD23  LEU  46          HD23      LEU  46   5.988 -22.878   9.078
  392    H    MET  47           HN       MET  47   0.835 -25.287   8.215
  393    HA   MET  47           HA       MET  47   0.444 -25.513  10.980
  394    HB2  MET  47           HB2      MET  47  -1.375 -25.584   8.585
  395    HB3  MET  47           HB1      MET  47  -2.034 -25.862  10.196
  396    HG2  MET  47           HG2      MET  47  -1.667 -23.677  10.871
  397    HG3  MET  47           HG1      MET  47  -0.252 -23.483   9.848
  398    HE1  MET  47           HE1      MET  47  -4.612 -23.592   8.485
  399    HE2  MET  47           HE2      MET  47  -3.845 -24.437   9.825
  400    HE3  MET  47           HE3      MET  47  -3.602 -25.011   8.177
  401    H    HIS  48           HN       HIS  48   0.002 -27.900   8.388
  402    HA   HIS  48           HA       HIS  48  -1.176 -29.914   9.963
  403    HB2  HIS  48           HB2      HIS  48  -1.092 -29.903   7.475
  404    HB3  HIS  48           HB1      HIS  48   0.630 -30.280   7.568
  405    HD2  HIS  48           HD2      HIS  48  -2.808 -32.070   8.029
  406    HE1  HIS  48           HE1      HIS  48   0.222 -34.921   8.745
  407    HE2  HIS  48           HE2      HIS  48  -2.277 -34.594   8.430
  408    H    GLU  49           HN       GLU  49   2.240 -29.320   9.133
  409    HA   GLU  49           HA       GLU  49   3.166 -31.530  10.736
  410    HB2  GLU  49           HB2      GLU  49   4.369 -30.717   8.714
  411    HB3  GLU  49           HB1      GLU  49   4.740 -29.224   9.576
  412    HG2  GLU  49           HG2      GLU  49   5.968 -30.454  11.280
  413    HG3  GLU  49           HG1      GLU  49   5.511 -31.990  10.544
  414    H    LEU  50           HN       LEU  50   3.365 -27.984  11.022
  415    HA   LEU  50           HA       LEU  50   4.723 -27.802  13.414
  416    HB2  LEU  50           HB2      LEU  50   4.122 -25.860  12.037
  417    HB3  LEU  50           HB1      LEU  50   2.439 -26.038  12.503
  418    HG   LEU  50           HG       LEU  50   3.098 -25.687  14.869
  419   HD11  LEU  50          HD11      LEU  50   5.303 -26.369  15.137
  420   HD12  LEU  50          HD12      LEU  50   5.506 -24.621  15.070
  421   HD13  LEU  50          HD13      LEU  50   5.833 -25.600  13.641
  422   HD21  LEU  50          HD21      LEU  50   4.149 -23.484  13.082
  423   HD22  LEU  50          HD22      LEU  50   3.456 -23.309  14.695
  424   HD23  LEU  50          HD23      LEU  50   2.433 -23.798  13.344
  425    H    MET  51           HN       MET  51   1.285 -28.400  12.866
  426    HA   MET  51           HA       MET  51   0.330 -28.126  15.468
  427    HB2  MET  51           HB2      MET  51  -1.128 -28.483  13.524
  428    HB3  MET  51           HB1      MET  51  -0.526 -30.132  13.366
  429    HG2  MET  51           HG2      MET  51  -1.425 -30.699  15.571
  430    HG3  MET  51           HG1      MET  51  -1.948 -29.031  15.808
  431    HE1  MET  51           HE1      MET  51  -3.738 -32.297  13.181
  432    HE2  MET  51           HE2      MET  51  -2.988 -32.483  14.765
  433    HE3  MET  51           HE3      MET  51  -2.007 -31.993  13.387
  434    H    GLU  52           HN       GLU  52   1.878 -30.902  13.905
  435    HA   GLU  52           HA       GLU  52   1.550 -32.692  16.087
  436    HB2  GLU  52           HB2      GLU  52   3.591 -32.654  13.852
  437    HB3  GLU  52           HB1      GLU  52   3.329 -34.005  14.956
  438    HG2  GLU  52           HG2      GLU  52   1.173 -32.811  13.195
  439    HG3  GLU  52           HG1      GLU  52   2.108 -34.245  12.776
  440    H    LEU  53           HN       LEU  53   4.139 -30.459  15.145
  441    HA   LEU  53           HA       LEU  53   5.950 -31.270  17.191
  442    HB2  LEU  53           HB2      LEU  53   5.740 -28.921  15.326
  443    HB3  LEU  53           HB1      LEU  53   6.897 -28.860  16.656
  444    HG   LEU  53           HG       LEU  53   7.906 -30.970  15.886
  445   HD11  LEU  53          HD11      LEU  53   5.811 -30.758  13.719
  446   HD12  LEU  53          HD12      LEU  53   6.002 -32.063  14.887
  447   HD13  LEU  53          HD13      LEU  53   7.204 -31.828  13.621
  448   HD21  LEU  53          HD21      LEU  53   8.654 -28.732  14.984
  449   HD22  LEU  53          HD22      LEU  53   7.629 -29.025  13.579
  450   HD23  LEU  53          HD23      LEU  53   8.992 -30.091  13.913
  451    H    ILE  54           HN       ILE  54   3.864 -28.376  16.897
  452    HA   ILE  54           HA       ILE  54   4.410 -27.188  19.299
  453    HB   ILE  54           HB       ILE  54   1.851 -27.372  17.739
  454   HG12  ILE  54          HG12      ILE  54   3.940 -26.024  17.024
  455   HG13  ILE  54          HG11      ILE  54   2.390 -25.204  17.024
  456   HG21  ILE  54          HG21      ILE  54   0.963 -27.052  19.903
  457   HG22  ILE  54          HG22      ILE  54   1.110 -25.417  19.261
  458   HG23  ILE  54          HG23      ILE  54   2.308 -26.027  20.402
  459   HD11  ILE  54          HD11      ILE  54   2.973 -23.784  18.719
  460   HD12  ILE  54          HD12      ILE  54   4.610 -24.159  18.184
  461   HD13  ILE  54          HD13      ILE  54   3.921 -25.000  19.564
  462    H    ASP  55           HN       ASP  55   2.819 -30.195  18.781
  463    HA   ASP  55           HA       ASP  55   1.568 -30.266  21.394
  464    HB2  ASP  55           HB2      ASP  55   0.581 -31.379  19.409
  465    HB3  ASP  55           HB1      ASP  55   1.965 -32.471  19.367
  466    H    LEU  56           HN       LEU  56   4.034 -32.269  19.775
  467    HA   LEU  56           HA       LEU  56   4.894 -33.539  22.139
  468    HB2  LEU  56           HB2      LEU  56   6.237 -33.147  19.469
  469    HB3  LEU  56           HB1      LEU  56   6.909 -34.153  20.749
  470    HG   LEU  56           HG       LEU  56   4.108 -34.521  19.653
  471   HD11  LEU  56          HD11      LEU  56   4.995 -36.329  18.271
  472   HD12  LEU  56          HD12      LEU  56   6.627 -36.019  18.868
  473   HD13  LEU  56          HD13      LEU  56   5.808 -34.818  17.868
  474   HD21  LEU  56          HD21      LEU  56   4.171 -35.676  21.691
  475   HD22  LEU  56          HD22      LEU  56   5.885 -36.059  21.547
  476   HD23  LEU  56          HD23      LEU  56   4.701 -36.930  20.579
  477    H    TYR  57           HN       TYR  57   6.137 -30.722  20.391
  478    HA   TYR  57           HA       TYR  57   8.454 -30.312  21.936
  479    HB2  TYR  57           HB2      TYR  57   6.733 -28.548  20.218
  480    HB3  TYR  57           HB1      TYR  57   8.013 -27.825  21.179
  481    HD1  TYR  57           HD1      TYR  57   7.703 -31.014  19.188
  482    HD2  TYR  57           HD2      TYR  57   9.913 -27.397  19.905
  483    HE1  TYR  57           HE1      TYR  57   9.391 -31.708  17.513
  484    HE2  TYR  57           HE2      TYR  57  11.593 -28.092  18.225
  485    HH   TYR  57           HH       TYR  57  12.243 -30.791  17.293
  486    H    GLU  58           HN       GLU  58   5.176 -28.958  22.282
  487    HA   GLU  58           HA       GLU  58   5.801 -27.414  24.580
  488    HB2  GLU  58           HB2      GLU  58   3.178 -28.461  23.505
  489    HB3  GLU  58           HB1      GLU  58   3.302 -27.370  24.886
  490    HG2  GLU  58           HG2      GLU  58   4.507 -26.769  22.175
  491    HG3  GLU  58           HG1      GLU  58   2.911 -26.208  22.673
  492    H    GLU  59           HN       GLU  59   4.020 -30.486  24.251
  493    HA   GLU  59           HA       GLU  59   3.582 -31.101  26.890
  494    HB2  GLU  59           HB2      GLU  59   2.768 -32.418  24.931
  495    HB3  GLU  59           HB1      GLU  59   4.373 -33.144  24.818
  496    HG2  GLU  59           HG2      GLU  59   4.178 -34.084  27.042
  497    HG3  GLU  59           HG1      GLU  59   2.679 -33.207  27.335
  498    H    SER  60           HN       SER  60   6.582 -30.702  25.407
  499    HA   SER  60           HA       SER  60   8.264 -32.565  26.586
  500    HB2  SER  60           HB2      SER  60  10.026 -30.885  26.365
  501    HB3  SER  60           HB1      SER  60   8.998 -30.904  24.936
  502    HG   SER  60           HG       SER  60   7.962 -29.235  26.755
  503    H    GLN  61           HN       GLN  61   7.220 -29.415  27.974
  504    HA   GLN  61           HA       GLN  61   8.581 -30.039  30.491
  505    HB2  GLN  61           HB2      GLN  61   6.927 -27.563  30.326
  506    HB3  GLN  61           HB1      GLN  61   8.548 -27.799  30.958
  507    HG2  GLN  61           HG2      GLN  61   9.411 -28.007  28.649
  508    HG3  GLN  61           HG1      GLN  61   7.790 -27.706  28.028
  509   HE21  GLN  61          HE21      GLN  61   8.114 -25.642  27.103
  510   HE22  GLN  61          HE22      GLN  61   8.588 -24.285  28.004
  511    HA   PRO  62           HA       PRO  62   4.178 -30.257  32.076
  512    HB2  PRO  62           HB2      PRO  62   2.083 -29.584  30.440
  513    HB3  PRO  62           HB1      PRO  62   3.081 -28.368  31.265
  514    HG2  PRO  62           HG2      PRO  62   2.949 -29.009  28.419
  515    HG3  PRO  62           HG1      PRO  62   3.702 -27.619  29.212
  516    HD2  PRO  62           HD2      PRO  62   4.960 -30.106  28.303
  517    HD3  PRO  62           HD1      PRO  62   5.729 -28.595  28.735
  518    H    SER  63           HN       SER  63   4.824 -32.521  31.830
  519    HA   SER  63           HA       SER  63   3.495 -34.150  29.813
  520    HB2  SER  63           HB2      SER  63   5.798 -34.694  30.537
  521    HB3  SER  63           HB1      SER  63   5.214 -34.942  32.181
  522    HG   SER  63           HG       SER  63   4.377 -36.341  29.853
  523    H    SER  64           HN       SER  64   2.772 -32.822  32.830
  524    HA   SER  64           HA       SER  64   1.119 -34.988  33.818
  525    HB2  SER  64           HB2      SER  64   1.536 -32.139  34.722
  526    HB3  SER  64           HB1      SER  64   0.390 -33.230  35.495
  527    HG   SER  64           HG       SER  64   3.053 -34.022  35.038
  528    H    GLU  65           HN       GLU  65   0.577 -33.823  31.142
  529    HA   GLU  65           HA       GLU  65  -1.291 -33.452  29.852
  530    HB2  GLU  65           HB2      GLU  65  -2.327 -35.002  31.670
  531    HB3  GLU  65           HB1      GLU  65  -3.007 -33.519  32.335
  532    HG2  GLU  65           HG2      GLU  65  -4.116 -33.034  30.208
  533    HG3  GLU  65           HG1      GLU  65  -3.384 -34.462  29.479
  534    H    ARG  66           HN       ARG  66   0.030 -31.449  31.983
  535    HA   ARG  66           HA       ARG  66  -1.888 -29.350  32.216
  536    HB2  ARG  66           HB2      ARG  66   1.110 -29.428  32.533
  537    HB3  ARG  66           HB1      ARG  66   0.146 -27.979  32.818
  538    HG2  ARG  66           HG2      ARG  66  -1.178 -29.176  34.507
  539    HG3  ARG  66           HG1      ARG  66  -0.249 -30.646  34.206
  540    HD2  ARG  66           HD2      ARG  66   1.811 -29.497  34.913
  541    HD3  ARG  66           HD1      ARG  66   0.894 -28.022  35.206
  542    HE   ARG  66           HE       ARG  66   0.923 -30.413  36.871
  543   HH11  ARG  66          HH21      ARG  66  -0.620 -27.440  36.004
  544   HH12  ARG  66          HH22      ARG  66  -1.475 -27.284  37.503
  545   HH21  ARG  66          HH11      ARG  66  -0.198 -30.217  38.840
  546   HH22  ARG  66          HH12      ARG  66  -1.237 -28.858  39.108
  547    H    LEU  67           HN       LEU  67   0.145 -30.411  29.678
  548    HA   LEU  67           HA       LEU  67   0.827 -28.157  28.270
  549    HB2  LEU  67           HB2      LEU  67   0.664 -29.496  26.243
  550    HB3  LEU  67           HB1      LEU  67   1.347 -30.458  27.547
  551    HG   LEU  67           HG       LEU  67  -1.379 -30.937  27.861
  552   HD11  LEU  67          HD11      LEU  67  -2.376 -31.340  25.735
  553   HD12  LEU  67          HD12      LEU  67  -0.855 -31.071  24.884
  554   HD13  LEU  67          HD13      LEU  67  -1.695 -29.716  25.639
  555   HD21  LEU  67          HD21      LEU  67   0.621 -32.513  26.204
  556   HD22  LEU  67          HD22      LEU  67  -0.901 -33.148  26.829
  557   HD23  LEU  67          HD23      LEU  67   0.371 -32.650  27.945
  558    H    ASN  68           HN       ASN  68  -2.314 -29.245  29.056
  559    HA   ASN  68           HA       ASN  68  -3.956 -28.403  27.033
  560    HB2  ASN  68           HB2      ASN  68  -4.296 -28.039  30.015
  561    HB3  ASN  68           HB1      ASN  68  -5.582 -27.754  28.846
  562   HD21  ASN  68          HD21      ASN  68  -5.631 -29.838  30.911
  563   HD22  ASN  68          HD22      ASN  68  -5.685 -31.329  30.099
  564    H    ALA  69           HN       ALA  69  -2.091 -26.438  29.260
  565    HA   ALA  69           HA       ALA  69  -3.322 -23.940  28.712
  566    HB1  ALA  69           HB1      ALA  69  -1.172 -22.988  29.580
  567    HB2  ALA  69           HB2      ALA  69  -0.526 -24.627  29.646
  568    HB3  ALA  69           HB3      ALA  69  -1.903 -24.181  30.654
  569    H    PHE  70           HN       PHE  70  -0.678 -25.730  27.203
  570    HA   PHE  70           HA       PHE  70  -0.119 -23.611  25.276
  571    HB2  PHE  70           HB2      PHE  70   0.970 -26.403  25.694
  572    HB3  PHE  70           HB1      PHE  70   1.440 -25.390  24.328
  573    HD1  PHE  70           HD1      PHE  70   2.449 -23.106  24.780
  574    HD2  PHE  70           HD2      PHE  70   1.907 -26.054  27.858
  575    HE1  PHE  70           HE1      PHE  70   4.077 -21.906  26.215
  576    HE2  PHE  70           HE2      PHE  70   3.536 -24.852  29.293
  577    HZ   PHE  70           HZ       PHE  70   4.621 -22.779  28.471
  578    H    ARG  71           HN       ARG  71  -2.204 -26.306  25.579
  579    HA   ARG  71           HA       ARG  71  -2.475 -27.072  22.890
  580    HB2  ARG  71           HB2      ARG  71  -3.414 -28.360  24.767
  581    HB3  ARG  71           HB1      ARG  71  -4.601 -27.083  25.036
  582    HG2  ARG  71           HG2      ARG  71  -5.508 -27.430  22.784
  583    HG3  ARG  71           HG1      ARG  71  -4.289 -28.667  22.471
  584    HD2  ARG  71           HD2      ARG  71  -6.358 -29.767  23.113
  585    HD3  ARG  71           HD1      ARG  71  -5.181 -29.970  24.407
  586    HE   ARG  71           HE       ARG  71  -6.501 -28.611  25.774
  587   HH11  ARG  71          HH21      ARG  71  -7.527 -28.503  22.474
  588   HH12  ARG  71          HH22      ARG  71  -9.012 -27.681  22.815
  589   HH21  ARG  71          HH11      ARG  71  -8.451 -27.533  26.234
  590   HH22  ARG  71          HH12      ARG  71  -9.536 -27.132  24.945
  591    H    GLU  72           HN       GLU  72  -3.927 -24.467  24.772
  592    HA   GLU  72           HA       GLU  72  -5.967 -23.591  23.155
  593    HB2  GLU  72           HB2      GLU  72  -3.876 -21.946  24.609
  594    HB3  GLU  72           HB1      GLU  72  -5.354 -21.275  23.918
  595    HG2  GLU  72           HG2      GLU  72  -6.713 -22.735  25.343
  596    HG3  GLU  72           HG1      GLU  72  -5.255 -23.479  25.997
  597    H    LEU  73           HN       LEU  73  -2.501 -22.917  22.812
  598    HA   LEU  73           HA       LEU  73  -2.736 -21.373  20.443
  599    HB2  LEU  73           HB2      LEU  73  -0.705 -21.253  21.768
  600    HB3  LEU  73           HB1      LEU  73  -0.412 -22.977  21.554
  601    HG   LEU  73           HG       LEU  73  -0.092 -22.662  19.142
  602   HD11  LEU  73          HD11      LEU  73  -1.538 -20.933  18.485
  603   HD12  LEU  73          HD12      LEU  73   0.042 -20.158  18.380
  604   HD13  LEU  73          HD13      LEU  73  -0.998 -19.856  19.774
  605   HD21  LEU  73          HD21      LEU  73   1.481 -20.491  20.540
  606   HD22  LEU  73          HD22      LEU  73   2.000 -21.523  19.208
  607   HD23  LEU  73          HD23      LEU  73   1.786 -22.206  20.819
  608    H    ARG  74           HN       ARG  74  -2.309 -24.814  21.079
  609    HA   ARG  74           HA       ARG  74  -1.893 -25.614  18.393
  610    HB2  ARG  74           HB2      ARG  74  -1.341 -27.029  20.359
  611    HB3  ARG  74           HB1      ARG  74  -3.065 -27.209  20.679
  612    HG2  ARG  74           HG2      ARG  74  -3.417 -28.289  18.554
  613    HG3  ARG  74           HG1      ARG  74  -1.739 -28.011  18.087
  614    HD2  ARG  74           HD2      ARG  74  -1.039 -29.390  20.067
  615    HD3  ARG  74           HD1      ARG  74  -2.737 -29.764  20.348
  616    HE   ARG  74           HE       ARG  74  -1.053 -30.815  18.215
  617   HH11  ARG  74          HH21      ARG  74  -4.240 -30.241  19.431
  618   HH12  ARG  74          HH22      ARG  74  -4.975 -31.494  18.490
  619   HH21  ARG  74          HH11      ARG  74  -2.009 -32.461  16.975
  620   HH22  ARG  74          HH12      ARG  74  -3.712 -32.752  17.099
  621    H    THR  75           HN       THR  75  -4.672 -24.735  20.224
  622    HA   THR  75           HA       THR  75  -6.675 -26.039  18.751
  623    HB   THR  75           HB       THR  75  -6.977 -23.358  20.003
  624    HG1  THR  75           HG1      THR  75  -7.385 -25.756  21.371
  625   HG21  THR  75          HG21      THR  75  -9.250 -24.012  20.311
  626   HG22  THR  75          HG22      THR  75  -8.881 -25.677  19.865
  627   HG23  THR  75          HG23      THR  75  -8.830 -24.406  18.644
  628    H    GLN  76           HN       GLN  76  -5.106 -22.898  18.353
  629    HA   GLN  76           HA       GLN  76  -6.655 -21.979  16.181
  630    HB2  GLN  76           HB2      GLN  76  -3.871 -21.377  17.187
  631    HB3  GLN  76           HB1      GLN  76  -4.465 -20.642  15.694
  632    HG2  GLN  76           HG2      GLN  76  -4.914 -19.151  17.576
  633    HG3  GLN  76           HG1      GLN  76  -6.437 -19.772  16.942
  634   HE21  GLN  76          HE21      GLN  76  -4.196 -19.941  19.677
  635   HE22  GLN  76          HE22      GLN  76  -5.242 -20.795  20.704
  636    H    LEU  77           HN       LEU  77  -3.629 -23.845  16.316
  637    HA   LEU  77           HA       LEU  77  -3.232 -24.022  13.514
  638    HB2  LEU  77           HB2      LEU  77  -2.259 -25.578  15.899
  639    HB3  LEU  77           HB1      LEU  77  -1.927 -26.180  14.276
  640    HG   LEU  77           HG       LEU  77  -0.782 -24.125  13.684
  641   HD11  LEU  77          HD11      LEU  77  -1.793 -23.192  16.374
  642   HD12  LEU  77          HD12      LEU  77  -2.058 -22.449  14.799
  643   HD13  LEU  77          HD13      LEU  77  -0.461 -22.390  15.545
  644   HD21  LEU  77          HD21      LEU  77   0.480 -25.855  14.959
  645   HD22  LEU  77          HD22      LEU  77   0.085 -25.007  16.452
  646   HD23  LEU  77          HD23      LEU  77   1.099 -24.229  15.238
  647    H    GLU  78           HN       GLU  78  -4.928 -26.083  15.841
  648    HA   GLU  78           HA       GLU  78  -5.629 -28.102  13.952
  649    HB2  GLU  78           HB2      GLU  78  -5.584 -28.482  16.399
  650    HB3  GLU  78           HB1      GLU  78  -6.961 -27.392  16.576
  651    HG2  GLU  78           HG2      GLU  78  -8.335 -28.849  15.168
  652    HG3  GLU  78           HG1      GLU  78  -6.957 -29.914  14.892
  653    H    LYS  79           HN       LYS  79  -7.276 -25.232  15.209
  654    HA   LYS  79           HA       LYS  79  -9.734 -25.681  13.861
  655    HB2  LYS  79           HB2      LYS  79  -9.431 -24.163  15.832
  656    HB3  LYS  79           HB1      LYS  79  -8.566 -23.046  14.776
  657    HG2  LYS  79           HG2      LYS  79 -10.521 -22.780  13.361
  658    HG3  LYS  79           HG1      LYS  79 -11.382 -24.029  14.255
  659    HD2  LYS  79           HD2      LYS  79 -12.188 -21.941  15.102
  660    HD3  LYS  79           HD1      LYS  79 -11.101 -22.585  16.330
  661    HE2  LYS  79           HE2      LYS  79  -9.357 -21.081  15.724
  662    HE3  LYS  79           HE1      LYS  79 -10.148 -20.650  14.208
  663    HZ1  LYS  79           HZ1      LYS  79 -10.659 -18.887  15.579
  664    HZ2  LYS  79           HZ2      LYS  79 -10.848 -19.862  16.958
  665    HZ3  LYS  79           HZ3      LYS  79 -12.036 -19.862  15.743
  666    H    ALA  80           HN       ALA  80  -6.823 -23.815  13.126
  667    HA   ALA  80           HA       ALA  80  -7.782 -22.721  10.695
  668    HB1  ALA  80           HB1      ALA  80  -4.918 -23.217  11.534
  669    HB2  ALA  80           HB2      ALA  80  -5.856 -21.774  11.923
  670    HB3  ALA  80           HB3      ALA  80  -5.454 -22.140  10.245
  671    H    LEU  81           HN       LEU  81  -6.236 -25.725  11.570
  672    HA   LEU  81           HA       LEU  81  -5.403 -26.584   9.034
  673    HB2  LEU  81           HB2      LEU  81  -4.714 -27.764  11.051
  674    HB3  LEU  81           HB1      LEU  81  -6.384 -28.205  11.398
  675    HG   LEU  81           HG       LEU  81  -6.491 -29.569   9.370
  676   HD11  LEU  81          HD11      LEU  81  -4.175 -29.921   8.189
  677   HD12  LEU  81          HD12      LEU  81  -3.786 -28.340   8.867
  678   HD13  LEU  81          HD13      LEU  81  -5.151 -28.517   7.763
  679   HD21  LEU  81          HD21      LEU  81  -5.640 -30.639  11.396
  680   HD22  LEU  81          HD22      LEU  81  -4.002 -30.108  11.012
  681   HD23  LEU  81          HD23      LEU  81  -4.811 -31.287   9.980
  682    H    GLY  82           HN       GLY  82  -8.539 -26.184  10.356
  683    HA2  GLY  82           HA2      GLY  82  -9.939 -28.129   8.857
  684    HA3  GLY  82           HA1      GLY  82 -10.642 -26.667   9.546
  685    H    LEU  83           HN       LEU  83  -8.739 -24.932   8.092
  686    HA   LEU  83           HA       LEU  83  -8.730 -23.699   6.150
  687    HB2  LEU  83           HB2      LEU  83  -9.083 -26.432   4.898
  688    HB3  LEU  83           HB1      LEU  83  -8.502 -24.983   4.077
  689    HG   LEU  83           HG       LEU  83  -7.161 -26.256   6.475
  690   HD11  LEU  83          HD11      LEU  83  -5.392 -26.853   4.747
  691   HD12  LEU  83          HD12      LEU  83  -6.588 -26.451   3.514
  692   HD13  LEU  83          HD13      LEU  83  -6.896 -27.767   4.645
  693   HD21  LEU  83          HD21      LEU  83  -6.566 -23.847   4.773
  694   HD22  LEU  83          HD22      LEU  83  -5.233 -24.744   5.497
  695   HD23  LEU  83          HD23      LEU  83  -6.467 -24.024   6.524
  696    H    GLU  84           HN       GLU  84 -11.170 -23.681   7.418
  697    HA   GLU  84           HA       GLU  84 -13.357 -24.422   5.777
  698    HB2  GLU  84           HB2      GLU  84 -13.539 -23.868   8.200
  699    HB3  GLU  84           HB1      GLU  84 -13.221 -22.178   7.806
  700    HG2  GLU  84           HG2      GLU  84 -15.213 -22.110   6.378
  701    HG3  GLU  84           HG1      GLU  84 -15.522 -23.814   6.703
  702    H    HIS  85           HN       HIS  85 -13.768 -23.663   3.809
  703    HA   HIS  85           HA       HIS  85 -14.028 -20.874   3.275
  704    HB2  HIS  85           HB2      HIS  85 -11.546 -21.079   3.211
  705    HB3  HIS  85           HB1      HIS  85 -11.709 -22.269   1.919
  706    HD2  HIS  85           HD2      HIS  85 -12.047 -18.397   2.427
  707    HE1  HIS  85           HE1      HIS  85 -12.649 -19.231  -1.668
  708    HE2  HIS  85           HE2      HIS  85 -12.345 -17.377   0.041
  709    H    HIS  86           HN       HIS  86 -16.079 -21.954   2.752
  710    HA   HIS  86           HA       HIS  86 -16.139 -23.629   0.367
  711    HB2  HIS  86           HB2      HIS  86 -18.273 -22.583   2.232
  712    HB3  HIS  86           HB1      HIS  86 -18.648 -23.492   0.767
  713    HD2  HIS  86           HD2      HIS  86 -15.489 -25.025   2.117
  714    HE1  HIS  86           HE1      HIS  86 -18.599 -27.175   3.993
  715    HE2  HIS  86           HE2      HIS  86 -16.108 -27.146   3.505
  716    H    HIS  87           HN       HIS  87 -16.063 -20.330   1.020
  717    HA   HIS  87           HA       HIS  87 -16.868 -19.712  -1.733
  718    HB2  HIS  87           HB2      HIS  87 -18.061 -18.318   0.675
  719    HB3  HIS  87           HB1      HIS  87 -18.295 -17.845  -1.008
  720    HD2  HIS  87           HD2      HIS  87 -19.824 -20.273   1.547
  721    HE1  HIS  87           HE1      HIS  87 -21.333 -21.408  -2.229
  722    HE2  HIS  87           HE2      HIS  87 -21.573 -21.739   0.278
  723    H    HIS  88           HN       HIS  88 -16.285 -17.473  -2.333
  724    HA   HIS  88           HA       HIS  88 -13.626 -16.873  -1.432
  725    HB2  HIS  88           HB2      HIS  88 -15.455 -15.364  -3.315
  726    HB3  HIS  88           HB1      HIS  88 -13.740 -15.030  -3.071
  727    HD2  HIS  88           HD2      HIS  88 -15.856 -17.138  -5.384
  728    HE1  HIS  88           HE1      HIS  88 -12.090 -19.044  -5.302
  729    HE2  HIS  88           HE2      HIS  88 -14.325 -18.934  -6.503
  730    H    HIS  89           HN       HIS  89 -12.933 -14.778  -0.671
  731    HA   HIS  89           HA       HIS  89 -14.258 -13.954   1.647
  732    HB2  HIS  89           HB2      HIS  89 -12.640 -12.085   1.662
  733    HB3  HIS  89           HB1      HIS  89 -11.871 -13.636   1.330
  734    HD2  HIS  89           HD2      HIS  89 -12.178 -10.173  -0.298
  735    HE1  HIS  89           HE1      HIS  89 -10.684 -12.762  -3.281
  736    HE2  HIS  89           HE2      HIS  89 -11.108 -10.333  -2.675
  737    H    HIS  90           HN       HIS  90 -14.252 -12.457  -1.598
  738    HA   HIS  90           HA       HIS  90 -15.607 -10.103  -0.940
  739    HB2  HIS  90           HB2      HIS  90 -14.613 -10.517  -3.162
  740    HB3  HIS  90           HB1      HIS  90 -15.875 -11.703  -3.497
  741    HD2  HIS  90           HD2      HIS  90 -18.204 -10.589  -4.528
  742    HE1  HIS  90           HE1      HIS  90 -17.390  -6.557  -3.574
  743    HE2  HIS  90           HE2      HIS  90 -19.011  -8.115  -4.754
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  -6.938  -8.839  15.195
    2    H2   MET   1           HT2      MET   1  -7.383 -10.440  15.549
    3    H3   MET   1           HT3      MET   1  -6.289 -10.118  14.289
    4    HA   MET   1           HA       MET   1  -4.558  -9.621  15.707
    5    HB2  MET   1           HB2      MET   1  -6.002  -8.028  17.044
    6    HB3  MET   1           HB1      MET   1  -6.549  -9.419  17.981
    7    HG2  MET   1           HG2      MET   1  -4.719  -8.447  19.198
    8    HG3  MET   1           HG1      MET   1  -4.106  -9.924  18.454
    9    HE1  MET   1           HE1      MET   1  -3.118  -5.577  17.527
   10    HE2  MET   1           HE2      MET   1  -3.478  -6.299  19.093
   11    HE3  MET   1           HE3      MET   1  -4.744  -6.186  17.873
   12    H    GLY   2           HN       GLY   2  -3.412 -11.407  16.114
   13    HA2  GLY   2           HA2      GLY   2  -3.886 -13.361  17.997
   14    HA3  GLY   2           HA1      GLY   2  -4.682 -13.939  16.537
   15    H    VAL   3           HN       VAL   3  -3.150 -15.703  16.562
   16    HA   VAL   3           HA       VAL   3  -1.227 -16.781  15.908
   17    HB   VAL   3           HB       VAL   3  -0.564 -14.407  14.179
   18   HG11  VAL   3          HG11      VAL   3   0.032 -16.169  12.583
   19   HG12  VAL   3          HG12      VAL   3  -0.586 -17.402  13.681
   20   HG13  VAL   3          HG13      VAL   3   0.840 -16.464  14.121
   21   HG21  VAL   3          HG21      VAL   3  -2.258 -15.392  12.541
   22   HG22  VAL   3          HG22      VAL   3  -2.939 -14.517  13.910
   23   HG23  VAL   3          HG23      VAL   3  -2.927 -16.279  13.911
   24    H    TRP   4           HN       TRP   4  -1.185 -14.264  17.872
   25    HA   TRP   4           HA       TRP   4   1.727 -13.812  17.871
   26    HB2  TRP   4           HB2      TRP   4  -0.661 -12.420  19.032
   27    HB3  TRP   4           HB1      TRP   4   0.903 -12.198  19.817
   28    HD1  TRP   4           HD1      TRP   4   0.656 -12.686  16.051
   29    HE1  TRP   4           HE1      TRP   4   1.391 -10.513  14.877
   30    HE3  TRP   4           HE3      TRP   4   1.047  -9.593  20.091
   31    HZ2  TRP   4           HZ2      TRP   4   2.058  -7.817  15.563
   32    HZ3  TRP   4           HZ3      TRP   4   1.735  -7.230  19.805
   33    HH2  TRP   4           HH2      TRP   4   2.240  -6.338  17.546
   34    H    THR   5           HN       THR   5   2.986 -14.898  19.160
   35    HA   THR   5           HA       THR   5   2.371 -15.522  21.857
   36    HB   THR   5           HB       THR   5   2.658 -17.973  20.119
   37    HG1  THR   5           HG1      THR   5   0.223 -16.948  21.118
   38   HG21  THR   5          HG21      THR   5   1.915 -19.124  22.066
   39   HG22  THR   5          HG22      THR   5   1.372 -17.630  22.828
   40   HG23  THR   5          HG23      THR   5   3.095 -17.947  22.638
   41    HA   PRO   6           HA       PRO   6   6.826 -15.638  20.091
   42    HB2  PRO   6           HB2      PRO   6   7.629 -13.164  21.011
   43    HB3  PRO   6           HB1      PRO   6   6.923 -13.423  19.404
   44    HG2  PRO   6           HG2      PRO   6   5.587 -12.501  21.912
   45    HG3  PRO   6           HG1      PRO   6   5.459 -11.838  20.275
   46    HD2  PRO   6           HD2      PRO   6   3.550 -13.458  21.249
   47    HD3  PRO   6           HD1      PRO   6   4.061 -13.565  19.546
   48    H    GLU   7           HN       GLU   7   8.854 -15.217  21.535
   49    HA   GLU   7           HA       GLU   7   8.795 -16.794  23.803
   50    HB2  GLU   7           HB2      GLU   7  10.855 -15.960  22.612
   51    HB3  GLU   7           HB1      GLU   7  10.623 -14.403  23.413
   52    HG2  GLU   7           HG2      GLU   7  10.799 -15.465  25.606
   53    HG3  GLU   7           HG1      GLU   7  10.925 -17.053  24.853
   54    H    VAL   8           HN       VAL   8   7.559 -13.601  23.403
   55    HA   VAL   8           HA       VAL   8   7.841 -12.459  25.923
   56    HB   VAL   8           HB       VAL   8   5.365 -12.387  24.180
   57   HG11  VAL   8          HG11      VAL   8   4.853 -11.435  26.295
   58   HG12  VAL   8          HG12      VAL   8   5.201 -10.074  25.231
   59   HG13  VAL   8          HG13      VAL   8   6.414 -10.618  26.390
   60   HG21  VAL   8          HG21      VAL   8   7.716 -10.475  24.175
   61   HG22  VAL   8          HG22      VAL   8   6.365 -10.521  23.040
   62   HG23  VAL   8          HG23      VAL   8   7.563 -11.813  23.035
   63    H    LEU   9           HN       LEU   9   5.275 -14.638  24.753
   64    HA   LEU   9           HA       LEU   9   3.957 -14.841  27.262
   65    HB2  LEU   9           HB2      LEU   9   2.780 -15.420  25.212
   66    HB3  LEU   9           HB1      LEU   9   3.935 -16.708  24.876
   67    HG   LEU   9           HG       LEU   9   3.228 -17.915  26.895
   68   HD11  LEU   9          HD11      LEU   9   2.627 -16.322  28.498
   69   HD12  LEU   9          HD12      LEU   9   1.047 -16.925  28.002
   70   HD13  LEU   9          HD13      LEU   9   1.646 -15.394  27.363
   71   HD21  LEU   9          HD21      LEU   9   0.784 -18.269  26.239
   72   HD22  LEU   9          HD22      LEU   9   1.969 -18.483  24.951
   73   HD23  LEU   9          HD23      LEU   9   1.023 -16.996  25.041
   74    H    LYS  10           HN       LYS  10   6.527 -16.648  25.685
   75    HA   LYS  10           HA       LYS  10   6.647 -18.862  27.399
   76    HB2  LYS  10           HB2      LYS  10   7.900 -18.574  25.239
   77    HB3  LYS  10           HB1      LYS  10   8.987 -17.480  26.082
   78    HG2  LYS  10           HG2      LYS  10  10.001 -19.660  26.078
   79    HG3  LYS  10           HG1      LYS  10   9.479 -19.308  27.719
   80    HD2  LYS  10           HD2      LYS  10   7.778 -20.887  27.679
   81    HD3  LYS  10           HD1      LYS  10   7.522 -20.737  25.943
   82    HE2  LYS  10           HE2      LYS  10   9.560 -21.947  25.487
   83    HE3  LYS  10           HE1      LYS  10   9.947 -22.019  27.208
   84    HZ1  LYS  10           HZ1      LYS  10   7.334 -23.029  26.379
   85    HZ2  LYS  10           HZ2      LYS  10   8.375 -23.592  27.598
   86    HZ3  LYS  10           HZ3      LYS  10   8.684 -23.973  25.972
   87    H    ALA  11           HN       ALA  11   8.311 -15.719  27.571
   88    HA   ALA  11           HA       ALA  11   9.733 -16.277  29.964
   89    HB1  ALA  11           HB1      ALA  11  10.268 -14.427  28.355
   90    HB2  ALA  11           HB2      ALA  11  10.185 -13.906  30.038
   91    HB3  ALA  11           HB3      ALA  11   8.844 -13.570  28.945
   92    H    ARG  12           HN       ARG  12   6.594 -14.790  29.295
   93    HA   ARG  12           HA       ARG  12   6.020 -14.023  31.966
   94    HB2  ARG  12           HB2      ARG  12   4.254 -14.605  29.582
   95    HB3  ARG  12           HB1      ARG  12   3.629 -14.008  31.117
   96    HG2  ARG  12           HG2      ARG  12   5.906 -12.543  29.790
   97    HG3  ARG  12           HG1      ARG  12   4.268 -12.304  29.191
   98    HD2  ARG  12           HD2      ARG  12   5.115 -11.921  32.080
   99    HD3  ARG  12           HD1      ARG  12   4.904 -10.623  30.912
  100    HE   ARG  12           HE       ARG  12   2.541 -12.135  30.952
  101   HH11  ARG  12          HH21      ARG  12   4.456 -10.111  32.995
  102   HH12  ARG  12          HH22      ARG  12   3.110  -9.530  33.917
  103   HH21  ARG  12          HH11      ARG  12   0.767 -11.384  32.156
  104   HH22  ARG  12          HH12      ARG  12   1.020 -10.252  33.442
  105    H    ALA  13           HN       ALA  13   5.250 -16.913  30.066
  106    HA   ALA  13           HA       ALA  13   3.726 -18.201  32.086
  107    HB1  ALA  13           HB1      ALA  13   4.316 -20.286  30.723
  108    HB2  ALA  13           HB2      ALA  13   5.192 -19.200  29.644
  109    HB3  ALA  13           HB3      ALA  13   3.454 -19.007  29.870
  110    H    SER  14           HN       SER  14   7.136 -18.248  31.181
  111    HA   SER  14           HA       SER  14   7.795 -20.087  33.363
  112    HB2  SER  14           HB2      SER  14   8.901 -20.405  31.196
  113    HB3  SER  14           HB1      SER  14   9.549 -18.769  31.278
  114    HG   SER  14           HG       SER  14  10.589 -19.422  33.248
  115    H    VAL  15           HN       VAL  15   7.116 -16.929  33.184
  116    HA   VAL  15           HA       VAL  15   7.490 -15.149  34.577
  117    HB   VAL  15           HB       VAL  15   9.283 -16.925  36.233
  118   HG11  VAL  15          HG11      VAL  15   9.177 -14.505  36.763
  119   HG12  VAL  15          HG12      VAL  15   8.497 -15.497  38.051
  120   HG13  VAL  15          HG13      VAL  15   7.427 -14.638  36.944
  121   HG21  VAL  15          HG21      VAL  15   6.267 -16.857  36.019
  122   HG22  VAL  15          HG22      VAL  15   7.071 -17.371  37.503
  123   HG23  VAL  15          HG23      VAL  15   7.332 -18.262  36.008
  124    H    ILE  16           HN       ILE  16  10.350 -17.085  33.815
  125    HA   ILE  16           HA       ILE  16  11.795 -14.618  33.114
  126    HB   ILE  16           HB       ILE  16  12.469 -15.289  35.402
  127   HG12  ILE  16          HG12      ILE  16  14.661 -15.896  33.407
  128   HG13  ILE  16          HG11      ILE  16  14.045 -14.266  33.680
  129   HG21  ILE  16          HG21      ILE  16  12.027 -17.747  35.012
  130   HG22  ILE  16          HG22      ILE  16  13.569 -17.400  35.794
  131   HG23  ILE  16          HG23      ILE  16  13.521 -17.803  34.077
  132   HD11  ILE  16          HD11      ILE  16  14.630 -14.421  36.059
  133   HD12  ILE  16          HD12      ILE  16  16.051 -14.727  35.062
  134   HD13  ILE  16          HD13      ILE  16  15.202 -16.072  35.823
  135    H    GLY  17           HN       GLY  17  13.235 -14.833  31.434
  136    HA2  GLY  17           HA2      GLY  17  12.746 -16.616  29.403
  137    HA3  GLY  17           HA1      GLY  17  14.286 -15.785  29.615
  138    H    LYS  18           HN       LYS  18  13.150 -18.707  29.056
  139    HA   LYS  18           HA       LYS  18  15.480 -20.066  29.953
  140    HB2  LYS  18           HB2      LYS  18  14.140 -19.833  32.099
  141    HB3  LYS  18           HB1      LYS  18  12.953 -20.914  31.366
  142    HG2  LYS  18           HG2      LYS  18  14.631 -22.658  31.104
  143    HG3  LYS  18           HG1      LYS  18  15.896 -21.574  31.686
  144    HD2  LYS  18           HD2      LYS  18  14.553 -21.358  33.836
  145    HD3  LYS  18           HD1      LYS  18  13.564 -22.696  33.249
  146    HE2  LYS  18           HE2      LYS  18  15.383 -23.503  34.720
  147    HE3  LYS  18           HE1      LYS  18  15.566 -24.117  33.077
  148    HZ1  LYS  18           HZ1      LYS  18  17.638 -23.221  34.084
  149    HZ2  LYS  18           HZ2      LYS  18  16.925 -21.678  34.081
  150    HZ3  LYS  18           HZ3      LYS  18  17.211 -22.489  32.615
  151    HA   PRO  19           HA       PRO  19  12.763 -21.909  26.578
  152    HB2  PRO  19           HB2      PRO  19  14.539 -21.593  24.508
  153    HB3  PRO  19           HB1      PRO  19  13.343 -20.363  24.962
  154    HG2  PRO  19           HG2      PRO  19  16.245 -20.521  25.638
  155    HG3  PRO  19           HG1      PRO  19  15.275 -19.115  25.167
  156    HD2  PRO  19           HD2      PRO  19  15.946 -19.623  27.759
  157    HD3  PRO  19           HD1      PRO  19  14.432 -18.807  27.314
  158    H    ILE  20           HN       ILE  20  13.089 -23.936  25.498
  159    HA   ILE  20           HA       ILE  20  14.497 -25.861  26.893
  160    HB   ILE  20           HB       ILE  20  12.712 -26.364  25.258
  161   HG12  ILE  20          HG12      ILE  20  15.288 -27.721  24.420
  162   HG13  ILE  20          HG11      ILE  20  14.506 -28.044  25.974
  163   HG21  ILE  20          HG21      ILE  20  13.599 -24.681  23.568
  164   HG22  ILE  20          HG22      ILE  20  13.106 -26.233  22.894
  165   HG23  ILE  20          HG23      ILE  20  14.818 -25.882  23.136
  166   HD11  ILE  20          HD11      ILE  20  13.268 -28.438  23.229
  167   HD12  ILE  20          HD12      ILE  20  12.413 -28.654  24.756
  168   HD13  ILE  20          HD13      ILE  20  13.765 -29.710  24.345
  169    H    GLY  21           HN       GLY  21  16.488 -26.790  26.742
  170    HA2  GLY  21           HA2      GLY  21  18.668 -25.224  25.856
  171    HA3  GLY  21           HA1      GLY  21  18.752 -26.911  26.358
  172    H    GLU  22           HN       GLU  22  20.165 -25.647  24.167
  173    HA   GLU  22           HA       GLU  22  20.904 -26.444  22.118
  174    HB2  GLU  22           HB2      GLU  22  19.587 -28.610  22.836
  175    HB3  GLU  22           HB1      GLU  22  18.376 -28.027  21.697
  176    HG2  GLU  22           HG2      GLU  22  20.074 -27.945  19.918
  177    HG3  GLU  22           HG1      GLU  22  21.292 -28.528  21.054
  178    H    SER  23           HN       SER  23  20.336 -26.114  19.825
  179    HA   SER  23           HA       SER  23  18.865 -23.688  19.488
  180    HB2  SER  23           HB2      SER  23  20.207 -25.581  17.564
  181    HB3  SER  23           HB1      SER  23  19.298 -24.176  17.010
  182    HG   SER  23           HG       SER  23  21.666 -23.959  17.474
  183    H    TYR  24           HN       TYR  24  17.998 -26.992  19.485
  184    HA   TYR  24           HA       TYR  24  15.990 -27.246  17.627
  185    HB2  TYR  24           HB2      TYR  24  16.759 -28.995  19.283
  186    HB3  TYR  24           HB1      TYR  24  15.728 -28.211  20.481
  187    HD1  TYR  24           HD1      TYR  24  15.774 -30.059  17.278
  188    HD2  TYR  24           HD2      TYR  24  13.312 -28.355  20.358
  189    HE1  TYR  24           HE1      TYR  24  13.807 -31.264  16.372
  190    HE2  TYR  24           HE2      TYR  24  11.344 -29.561  19.451
  191    HH   TYR  24           HH       TYR  24  10.584 -30.599  17.458
  192    H    LYS  25           HN       LYS  25  16.145 -24.973  20.128
  193    HA   LYS  25           HA       LYS  25  13.374 -24.633  20.693
  194    HB2  LYS  25           HB2      LYS  25  14.047 -22.517  21.678
  195    HB3  LYS  25           HB1      LYS  25  15.200 -23.768  22.133
  196    HG2  LYS  25           HG2      LYS  25  16.673 -23.018  20.246
  197    HG3  LYS  25           HG1      LYS  25  15.556 -21.682  19.963
  198    HD2  LYS  25           HD2      LYS  25  15.924 -20.862  22.251
  199    HD3  LYS  25           HD1      LYS  25  17.019 -22.208  22.566
  200    HE2  LYS  25           HE2      LYS  25  18.327 -20.227  21.994
  201    HE3  LYS  25           HE1      LYS  25  18.472 -21.417  20.700
  202    HZ1  LYS  25           HZ1      LYS  25  17.323 -20.139  19.270
  203    HZ2  LYS  25           HZ2      LYS  25  17.826 -18.875  20.287
  204    HZ3  LYS  25           HZ3      LYS  25  16.271 -19.539  20.458
  205    H    ARG  26           HN       ARG  26  14.556 -24.603  17.797
  206    HA   ARG  26           HA       ARG  26  14.045 -22.073  16.677
  207    HB2  ARG  26           HB2      ARG  26  15.322 -23.860  15.550
  208    HB3  ARG  26           HB1      ARG  26  13.836 -24.794  15.377
  209    HG2  ARG  26           HG2      ARG  26  12.831 -22.980  14.041
  210    HG3  ARG  26           HG1      ARG  26  14.293 -22.015  14.238
  211    HD2  ARG  26           HD2      ARG  26  14.347 -23.110  12.068
  212    HD3  ARG  26           HD1      ARG  26  15.586 -23.818  13.101
  213    HE   ARG  26           HE       ARG  26  13.167 -25.296  13.324
  214   HH11  ARG  26          HH21      ARG  26  15.803 -24.616  11.189
  215   HH12  ARG  26          HH22      ARG  26  15.718 -26.142  10.374
  216   HH21  ARG  26          HH11      ARG  26  13.047 -27.297  12.259
  217   HH22  ARG  26          HH12      ARG  26  14.158 -27.660  10.980
  218    H    ILE  27           HN       ILE  27  12.013 -24.899  17.240
  219    HA   ILE  27           HA       ILE  27   9.775 -24.144  15.802
  220    HB   ILE  27           HB       ILE  27   9.781 -26.302  16.743
  221   HG12  ILE  27          HG12      ILE  27   7.569 -24.730  17.009
  222   HG13  ILE  27          HG11      ILE  27   7.593 -26.422  17.460
  223   HG21  ILE  27          HG21      ILE  27  11.335 -26.073  18.539
  224   HG22  ILE  27          HG22      ILE  27   9.830 -26.627  19.271
  225   HG23  ILE  27          HG23      ILE  27  10.302 -24.936  19.396
  226   HD11  ILE  27          HD11      ILE  27   8.282 -24.269  19.466
  227   HD12  ILE  27          HD12      ILE  27   7.817 -25.935  19.769
  228   HD13  ILE  27          HD13      ILE  27   6.628 -24.775  19.189
  229    H    LEU  28           HN       LEU  28  10.798 -23.209  19.035
  230    HA   LEU  28           HA       LEU  28   8.469 -21.793  19.736
  231    HB2  LEU  28           HB2      LEU  28  10.160 -22.509  21.378
  232    HB3  LEU  28           HB1      LEU  28  11.318 -21.376  20.685
  233    HG   LEU  28           HG       LEU  28   9.790 -19.496  21.250
  234   HD11  LEU  28          HD11      LEU  28   7.612 -20.309  21.305
  235   HD12  LEU  28          HD12      LEU  28   7.968 -20.238  23.028
  236   HD13  LEU  28          HD13      LEU  28   8.064 -21.777  22.173
  237   HD21  LEU  28          HD21      LEU  28  11.492 -19.926  22.853
  238   HD22  LEU  28          HD22      LEU  28  10.676 -21.371  23.450
  239   HD23  LEU  28          HD23      LEU  28  10.005 -19.775  23.782
  240    H    ALA  29           HN       ALA  29  11.530 -20.754  18.283
  241    HA   ALA  29           HA       ALA  29  10.673 -18.002  18.048
  242    HB1  ALA  29           HB1      ALA  29  13.086 -19.426  16.898
  243    HB2  ALA  29           HB2      ALA  29  13.039 -18.537  18.421
  244    HB3  ALA  29           HB3      ALA  29  12.824 -17.682  16.894
  245    H    LYS  30           HN       LYS  30  10.377 -20.871  16.213
  246    HA   LYS  30           HA       LYS  30  10.375 -19.988  13.582
  247    HB2  LYS  30           HB2      LYS  30  10.092 -22.347  14.337
  248    HB3  LYS  30           HB1      LYS  30   8.430 -21.971  14.785
  249    HG2  LYS  30           HG2      LYS  30   7.958 -21.295  12.457
  250    HG3  LYS  30           HG1      LYS  30   9.616 -21.681  12.008
  251    HD2  LYS  30           HD2      LYS  30   7.773 -23.714  13.274
  252    HD3  LYS  30           HD1      LYS  30   7.850 -23.471  11.535
  253    HE2  LYS  30           HE2      LYS  30  10.378 -23.855  11.730
  254    HE3  LYS  30           HE1      LYS  30  10.061 -24.417  13.370
  255    HZ1  LYS  30           HZ1      LYS  30   9.278 -25.616  10.815
  256    HZ2  LYS  30           HZ2      LYS  30   8.288 -25.864  12.174
  257    HZ3  LYS  30           HZ3      LYS  30   9.916 -26.351  12.204
  258    H    LEU  31           HN       LEU  31   8.180 -19.296  16.145
  259    HA   LEU  31           HA       LEU  31   5.866 -18.641  14.693
  260    HB2  LEU  31           HB2      LEU  31   5.925 -18.832  17.157
  261    HB3  LEU  31           HB1      LEU  31   6.912 -17.374  17.239
  262    HG   LEU  31           HG       LEU  31   5.088 -16.089  16.149
  263   HD11  LEU  31          HD11      LEU  31   3.844 -18.819  16.025
  264   HD12  LEU  31          HD12      LEU  31   3.814 -17.516  14.841
  265   HD13  LEU  31          HD13      LEU  31   2.783 -17.431  16.264
  266   HD21  LEU  31          HD21      LEU  31   4.461 -17.638  18.667
  267   HD22  LEU  31          HD22      LEU  31   3.428 -16.336  18.076
  268   HD23  LEU  31          HD23      LEU  31   5.100 -16.001  18.525
  269    H    GLN  32           HN       GLN  32   8.738 -16.744  15.530
  270    HA   GLN  32           HA       GLN  32   7.939 -14.229  14.699
  271    HB2  GLN  32           HB2      GLN  32  10.646 -15.556  14.429
  272    HB3  GLN  32           HB1      GLN  32  10.359 -13.828  14.217
  273    HG2  GLN  32           HG2      GLN  32   9.655 -15.371  16.727
  274    HG3  GLN  32           HG1      GLN  32  11.138 -14.440  16.527
  275   HE21  GLN  32          HE21      GLN  32   8.172 -14.188  17.926
  276   HE22  GLN  32          HE22      GLN  32   7.923 -12.514  17.790
  277    H    ARG  33           HN       ARG  33   9.093 -16.960  12.776
  278    HA   ARG  33           HA       ARG  33   9.239 -15.571  10.299
  279    HB2  ARG  33           HB2      ARG  33  10.342 -17.755  10.708
  280    HB3  ARG  33           HB1      ARG  33   8.755 -18.520  10.784
  281    HG2  ARG  33           HG2      ARG  33   8.282 -17.788   8.474
  282    HG3  ARG  33           HG1      ARG  33   9.862 -17.011   8.396
  283    HD2  ARG  33           HD2      ARG  33   9.450 -19.961   8.938
  284    HD3  ARG  33           HD1      ARG  33   9.801 -19.291   7.348
  285    HE   ARG  33           HE       ARG  33  11.778 -18.337   9.063
  286   HH11  ARG  33          HH21      ARG  33  10.561 -21.362   7.908
  287   HH12  ARG  33          HH22      ARG  33  12.092 -22.169   7.994
  288   HH21  ARG  33          HH11      ARG  33  13.789 -19.385   9.175
  289   HH22  ARG  33          HH12      ARG  33  13.920 -21.048   8.711
  290    H    ILE  34           HN       ILE  34   6.701 -17.452  11.897
  291    HA   ILE  34           HA       ILE  34   4.831 -17.222   9.737
  292    HB   ILE  34           HB       ILE  34   4.451 -17.942  12.649
  293   HG12  ILE  34          HG12      ILE  34   4.428 -19.693  10.181
  294   HG13  ILE  34          HG11      ILE  34   5.864 -19.447  11.172
  295   HG21  ILE  34          HG21      ILE  34   2.280 -18.937  11.714
  296   HG22  ILE  34          HG22      ILE  34   2.560 -17.935  10.289
  297   HG23  ILE  34          HG23      ILE  34   2.328 -17.180  11.867
  298   HD11  ILE  34          HD11      ILE  34   3.262 -20.360  12.397
  299   HD12  ILE  34          HD12      ILE  34   4.896 -20.512  13.043
  300   HD13  ILE  34          HD13      ILE  34   4.387 -21.507  11.679
  301    H    HIS  35           HN       HIS  35   5.744 -15.241  12.431
  302    HA   HIS  35           HA       HIS  35   3.416 -13.713  12.775
  303    HB2  HIS  35           HB2      HIS  35   5.342 -13.618  14.314
  304    HB3  HIS  35           HB1      HIS  35   6.302 -12.836  13.058
  305    HD2  HIS  35           HD2      HIS  35   3.442 -11.938  15.571
  306    HE1  HIS  35           HE1      HIS  35   4.489  -8.424  13.478
  307    HE2  HIS  35           HE2      HIS  35   3.122  -9.352  15.406
  308    H    ASN  36           HN       ASN  36   6.176 -13.275  10.580
  309    HA   ASN  36           HA       ASN  36   4.994 -10.924   9.358
  310    HB2  ASN  36           HB2      ASN  36   6.970 -11.223   7.758
  311    HB3  ASN  36           HB1      ASN  36   7.361 -10.892   9.446
  312   HD21  ASN  36          HD21      ASN  36   8.426 -12.760   6.987
  313   HD22  ASN  36          HD22      ASN  36   8.933 -14.134   7.844
  314    H    SER  37           HN       SER  37   5.505 -14.332   8.536
  315    HA   SER  37           HA       SER  37   4.130 -14.020   5.974
  316    HB2  SER  37           HB2      SER  37   5.402 -16.422   7.298
  317    HB3  SER  37           HB1      SER  37   4.674 -16.424   5.694
  318    HG   SER  37           HG       SER  37   6.701 -15.925   5.217
  319    H    ASN  38           HN       ASN  38   2.906 -13.852   8.808
  320    HA   ASN  38           HA       ASN  38   1.274 -15.958   9.438
  321    HB2  ASN  38           HB2      ASN  38  -0.303 -14.327  10.358
  322    HB3  ASN  38           HB1      ASN  38   1.355 -13.847  10.714
  323   HD21  ASN  38          HD21      ASN  38  -0.697 -11.889  10.710
  324   HD22  ASN  38          HD22      ASN  38  -0.477 -10.863   9.375
  325    H    ILE  39           HN       ILE  39  -0.154 -17.107   8.342
  326    HA   ILE  39           HA       ILE  39  -1.735 -17.737   6.802
  327    HB   ILE  39           HB       ILE  39  -2.415 -14.807   6.587
  328   HG12  ILE  39          HG12      ILE  39  -3.355 -16.819   8.621
  329   HG13  ILE  39          HG11      ILE  39  -2.251 -15.493   8.962
  330   HG21  ILE  39          HG21      ILE  39  -4.183 -17.252   6.459
  331   HG22  ILE  39          HG22      ILE  39  -3.444 -16.539   5.026
  332   HG23  ILE  39          HG23      ILE  39  -4.589 -15.602   5.983
  333   HD11  ILE  39          HD11      ILE  39  -4.018 -13.905   8.143
  334   HD12  ILE  39          HD12      ILE  39  -4.475 -14.791   9.598
  335   HD13  ILE  39          HD13      ILE  39  -5.123 -15.275   8.032
  336    H    LEU  40           HN       LEU  40   0.489 -17.942   5.600
  337    HA   LEU  40           HA       LEU  40   0.301 -16.399   3.071
  338    HB2  LEU  40           HB2      LEU  40   2.350 -15.884   4.414
  339    HB3  LEU  40           HB1      LEU  40   2.805 -17.579   4.285
  340    HG   LEU  40           HG       LEU  40   2.761 -17.367   1.798
  341   HD11  LEU  40          HD11      LEU  40   1.966 -14.558   2.517
  342   HD12  LEU  40          HD12      LEU  40   1.371 -15.592   1.217
  343   HD13  LEU  40          HD13      LEU  40   2.944 -14.818   1.073
  344   HD21  LEU  40          HD21      LEU  40   4.867 -17.126   3.054
  345   HD22  LEU  40          HD22      LEU  40   4.567 -15.398   3.240
  346   HD23  LEU  40          HD23      LEU  40   4.860 -16.076   1.638
  347    H    ASP  41           HN       ASP  41   0.340 -17.515   1.184
  348    HA   ASP  41           HA       ASP  41  -0.540 -20.146   1.083
  349    HB2  ASP  41           HB2      ASP  41  -0.744 -18.627  -0.812
  350    HB3  ASP  41           HB1      ASP  41   1.008 -18.606  -1.005
  351    H    GLU  42           HN       GLU  42   2.769 -18.903   0.846
  352    HA   GLU  42           HA       GLU  42   3.948 -21.467   0.382
  353    HB2  GLU  42           HB2      GLU  42   5.020 -19.327  -0.240
  354    HB3  GLU  42           HB1      GLU  42   5.209 -18.948   1.471
  355    HG2  GLU  42           HG2      GLU  42   6.597 -20.947   1.790
  356    HG3  GLU  42           HG1      GLU  42   6.362 -21.399   0.104
  357    H    ARG  43           HN       ARG  43   3.529 -19.427   3.262
  358    HA   ARG  43           HA       ARG  43   4.850 -21.318   4.989
  359    HB2  ARG  43           HB2      ARG  43   4.572 -18.719   5.247
  360    HB3  ARG  43           HB1      ARG  43   3.047 -19.146   6.014
  361    HG2  ARG  43           HG2      ARG  43   4.377 -19.253   7.897
  362    HG3  ARG  43           HG1      ARG  43   4.679 -20.888   7.318
  363    HD2  ARG  43           HD2      ARG  43   6.381 -18.457   6.712
  364    HD3  ARG  43           HD1      ARG  43   6.783 -19.714   7.876
  365    HE   ARG  43           HE       ARG  43   6.491 -21.180   5.663
  366   HH11  ARG  43          HH21      ARG  43   8.040 -18.128   6.175
  367   HH12  ARG  43          HH22      ARG  43   9.225 -18.366   4.937
  368   HH21  ARG  43          HH11      ARG  43   8.042 -21.497   4.034
  369   HH22  ARG  43          HH12      ARG  43   9.228 -20.273   3.725
  370    H    GLN  44           HN       GLN  44   1.678 -20.953   3.766
  371    HA   GLN  44           HA       GLN  44   0.071 -21.928   5.801
  372    HB2  GLN  44           HB2      GLN  44  -0.055 -21.823   2.846
  373    HB3  GLN  44           HB1      GLN  44  -1.040 -23.101   3.552
  374    HG2  GLN  44           HG2      GLN  44  -2.203 -21.492   4.952
  375    HG3  GLN  44           HG1      GLN  44  -1.145 -20.195   4.414
  376   HE21  GLN  44          HE21      GLN  44  -3.565 -19.441   3.873
  377   HE22  GLN  44          HE22      GLN  44  -4.069 -19.775   2.288
  378    H    GLY  45           HN       GLY  45   2.190 -23.691   3.604
  379    HA2  GLY  45           HA2      GLY  45   1.319 -26.291   4.289
  380    HA3  GLY  45           HA1      GLY  45   2.883 -25.881   3.589
  381    H    LEU  46           HN       LEU  46   3.620 -24.057   5.710
  382    HA   LEU  46           HA       LEU  46   4.885 -25.904   7.423
  383    HB2  LEU  46           HB2      LEU  46   5.241 -23.220   6.814
  384    HB3  LEU  46           HB1      LEU  46   4.697 -23.151   8.485
  385    HG   LEU  46           HG       LEU  46   6.972 -24.912   7.508
  386   HD11  LEU  46          HD11      LEU  46   8.447 -23.257   8.570
  387   HD12  LEU  46          HD12      LEU  46   7.052 -22.260   8.983
  388   HD13  LEU  46          HD13      LEU  46   7.496 -22.499   7.292
  389   HD21  LEU  46          HD21      LEU  46   7.446 -25.094   9.941
  390   HD22  LEU  46          HD22      LEU  46   5.850 -25.723   9.550
  391   HD23  LEU  46          HD23      LEU  46   6.011 -24.123  10.280
  392    H    MET  47           HN       MET  47   1.984 -23.956   7.749
  393    HA   MET  47           HA       MET  47   1.545 -24.305  10.496
  394    HB2  MET  47           HB2      MET  47  -0.245 -23.760   8.141
  395    HB3  MET  47           HB1      MET  47  -0.947 -24.039   9.734
  396    HG2  MET  47           HG2      MET  47  -0.582 -21.636   9.343
  397    HG3  MET  47           HG1      MET  47   0.434 -22.216  10.663
  398    HE1  MET  47           HE1      MET  47   2.071 -19.394   8.199
  399    HE2  MET  47           HE2      MET  47   0.787 -19.615   9.382
  400    HE3  MET  47           HE3      MET  47   0.476 -19.949   7.681
  401    H    HIS  48           HN       HIS  48   0.692 -26.331   7.720
  402    HA   HIS  48           HA       HIS  48  -0.926 -28.180   9.104
  403    HB2  HIS  48           HB2      HIS  48  -0.835 -28.050   6.653
  404    HB3  HIS  48           HB1      HIS  48   0.831 -28.618   6.682
  405    HD2  HIS  48           HD2      HIS  48  -2.683 -30.118   6.559
  406    HE1  HIS  48           HE1      HIS  48  -0.129 -33.241   7.794
  407    HE2  HIS  48           HE2      HIS  48  -2.466 -32.684   6.973
  408    H    GLU  49           HN       GLU  49   2.538 -28.354   8.244
  409    HA   GLU  49           HA       GLU  49   2.973 -30.782   9.697
  410    HB2  GLU  49           HB2      GLU  49   4.366 -29.946   7.758
  411    HB3  GLU  49           HB1      GLU  49   5.060 -28.762   8.866
  412    HG2  GLU  49           HG2      GLU  49   6.541 -30.653   8.861
  413    HG3  GLU  49           HG1      GLU  49   5.667 -30.696  10.390
  414    H    LEU  50           HN       LEU  50   3.451 -27.353  10.365
  415    HA   LEU  50           HA       LEU  50   4.864 -27.629  12.777
  416    HB2  LEU  50           HB2      LEU  50   4.691 -25.503  11.558
  417    HB3  LEU  50           HB1      LEU  50   2.984 -25.412  11.953
  418    HG   LEU  50           HG       LEU  50   3.547 -25.376  14.363
  419   HD11  LEU  50          HD11      LEU  50   6.325 -25.742  13.271
  420   HD12  LEU  50          HD12      LEU  50   5.567 -26.498  14.673
  421   HD13  LEU  50          HD13      LEU  50   6.113 -24.828  14.763
  422   HD21  LEU  50          HD21      LEU  50   4.282 -23.110  14.429
  423   HD22  LEU  50          HD22      LEU  50   3.423 -23.280  12.899
  424   HD23  LEU  50          HD23      LEU  50   5.187 -23.287  12.925
  425    H    MET  51           HN       MET  51   1.395 -27.421  12.081
  426    HA   MET  51           HA       MET  51   0.354 -27.186  14.627
  427    HB2  MET  51           HB2      MET  51  -1.013 -27.164  12.577
  428    HB3  MET  51           HB1      MET  51  -0.723 -28.891  12.367
  429    HG2  MET  51           HG2      MET  51  -1.862 -29.387  14.455
  430    HG3  MET  51           HG1      MET  51  -2.030 -27.669  14.812
  431    HE1  MET  51           HE1      MET  51  -3.786 -30.728  13.386
  432    HE2  MET  51           HE2      MET  51  -2.551 -30.352  12.187
  433    HE3  MET  51           HE3      MET  51  -4.255 -30.224  11.756
  434    H    GLU  52           HN       GLU  52   1.336 -30.159  12.939
  435    HA   GLU  52           HA       GLU  52   0.620 -31.916  15.058
  436    HB2  GLU  52           HB2      GLU  52   2.551 -32.213  12.750
  437    HB3  GLU  52           HB1      GLU  52   2.132 -33.523  13.855
  438    HG2  GLU  52           HG2      GLU  52  -0.214 -33.359  13.238
  439    HG3  GLU  52           HG1      GLU  52   0.114 -31.950  12.230
  440    H    LEU  53           HN       LEU  53   3.658 -30.341  14.122
  441    HA   LEU  53           HA       LEU  53   5.290 -31.563  16.079
  442    HB2  LEU  53           HB2      LEU  53   5.532 -28.900  14.669
  443    HB3  LEU  53           HB1      LEU  53   6.804 -29.611  15.663
  444    HG   LEU  53           HG       LEU  53   5.544 -31.010  13.285
  445   HD11  LEU  53          HD11      LEU  53   8.019 -29.281  13.471
  446   HD12  LEU  53          HD12      LEU  53   6.647 -29.107  12.376
  447   HD13  LEU  53          HD13      LEU  53   7.771 -30.450  12.172
  448   HD21  LEU  53          HD21      LEU  53   7.879 -32.238  13.499
  449   HD22  LEU  53          HD22      LEU  53   6.551 -32.709  14.550
  450   HD23  LEU  53          HD23      LEU  53   7.821 -31.647  15.158
  451    H    ILE  54           HN       ILE  54   3.385 -28.578  16.108
  452    HA   ILE  54           HA       ILE  54   4.303 -27.655  18.599
  453    HB   ILE  54           HB       ILE  54   1.817 -27.171  16.988
  454   HG12  ILE  54          HG12      ILE  54   4.164 -26.158  16.511
  455   HG13  ILE  54          HG11      ILE  54   2.771 -25.096  16.515
  456   HG21  ILE  54          HG21      ILE  54   0.849 -26.872  19.094
  457   HG22  ILE  54          HG22      ILE  54   1.443 -25.252  18.746
  458   HG23  ILE  54          HG23      ILE  54   2.346 -26.316  19.819
  459   HD11  ILE  54          HD11      ILE  54   3.309 -24.146  18.582
  460   HD12  ILE  54          HD12      ILE  54   4.879 -24.321  17.803
  461   HD13  ILE  54          HD13      ILE  54   4.370 -25.469  19.036
  462    H    ASP  55           HN       ASP  55   1.426 -29.553  17.758
  463    HA   ASP  55           HA       ASP  55   0.488 -29.805  20.405
  464    HB2  ASP  55           HB2      ASP  55  -0.930 -30.186  18.417
  465    HB3  ASP  55           HB1      ASP  55   0.002 -31.635  18.042
  466    H    LEU  56           HN       LEU  56   3.061 -31.280  18.736
  467    HA   LEU  56           HA       LEU  56   3.105 -33.681  20.354
  468    HB2  LEU  56           HB2      LEU  56   4.840 -32.508  18.218
  469    HB3  LEU  56           HB1      LEU  56   5.467 -33.822  19.205
  470    HG   LEU  56           HG       LEU  56   2.784 -33.969  17.812
  471   HD11  LEU  56          HD11      LEU  56   4.270 -33.670  16.000
  472   HD12  LEU  56          HD12      LEU  56   4.108 -35.421  16.135
  473   HD13  LEU  56          HD13      LEU  56   5.544 -34.616  16.770
  474   HD21  LEU  56          HD21      LEU  56   4.569 -35.917  19.264
  475   HD22  LEU  56          HD22      LEU  56   3.543 -36.512  17.964
  476   HD23  LEU  56          HD23      LEU  56   2.818 -35.720  19.356
  477    H    TYR  57           HN       TYR  57   5.064 -30.714  20.129
  478    HA   TYR  57           HA       TYR  57   6.610 -31.486  22.485
  479    HB2  TYR  57           HB2      TYR  57   6.698 -29.150  20.584
  480    HB3  TYR  57           HB1      TYR  57   7.710 -29.234  22.030
  481    HD1  TYR  57           HD2      TYR  57   9.151 -31.349  22.354
  482    HD2  TYR  57           HD1      TYR  57   7.366 -30.264  18.602
  483    HE1  TYR  57           HE2      TYR  57  10.755 -32.816  21.164
  484    HE2  TYR  57           HE1      TYR  57   8.967 -31.734  17.413
  485    HH   TYR  57           HH       TYR  57  11.738 -32.820  18.667
  486    H    GLU  58           HN       GLU  58   4.834 -28.527  21.582
  487    HA   GLU  58           HA       GLU  58   4.767 -27.328  24.057
  488    HB2  GLU  58           HB2      GLU  58   2.597 -27.275  21.945
  489    HB3  GLU  58           HB1      GLU  58   2.721 -26.169  23.311
  490    HG2  GLU  58           HG2      GLU  58   4.866 -26.513  21.198
  491    HG3  GLU  58           HG1      GLU  58   3.701 -25.191  21.253
  492    H    GLU  59           HN       GLU  59   3.124 -30.173  23.076
  493    HA   GLU  59           HA       GLU  59   1.130 -30.024  25.201
  494    HB2  GLU  59           HB2      GLU  59   0.636 -31.056  23.012
  495    HB3  GLU  59           HB1      GLU  59   1.825 -32.315  23.376
  496    HG2  GLU  59           HG2      GLU  59   0.557 -32.971  25.362
  497    HG3  GLU  59           HG1      GLU  59  -0.602 -31.675  25.072
  498    H    SER  60           HN       SER  60   4.177 -31.685  24.520
  499    HA   SER  60           HA       SER  60   4.041 -33.178  27.043
  500    HB2  SER  60           HB2      SER  60   6.043 -34.297  26.251
  501    HB3  SER  60           HB1      SER  60   4.816 -34.301  24.988
  502    HG   SER  60           HG       SER  60   7.282 -33.221  24.977
  503    H    GLN  61           HN       GLN  61   5.328 -30.243  25.840
  504    HA   GLN  61           HA       GLN  61   7.633 -30.071  27.507
  505    HB2  GLN  61           HB2      GLN  61   6.552 -28.561  25.405
  506    HB3  GLN  61           HB1      GLN  61   6.508 -27.467  26.782
  507    HG2  GLN  61           HG2      GLN  61   8.936 -28.111  27.206
  508    HG3  GLN  61           HG1      GLN  61   8.906 -28.897  25.626
  509   HE21  GLN  61          HE21      GLN  61   7.520 -27.186  24.010
  510   HE22  GLN  61          HE22      GLN  61   8.248 -25.653  23.975
  511    HA   PRO  62           HA       PRO  62   4.888 -27.852  30.596
  512    HB2  PRO  62           HB2      PRO  62   2.285 -27.291  29.943
  513    HB3  PRO  62           HB1      PRO  62   3.650 -26.292  29.414
  514    HG2  PRO  62           HG2      PRO  62   1.930 -28.022  27.825
  515    HG3  PRO  62           HG1      PRO  62   3.109 -26.829  27.276
  516    HD2  PRO  62           HD2      PRO  62   3.421 -29.752  27.518
  517    HD3  PRO  62           HD1      PRO  62   4.441 -28.584  26.661
  518    H    SER  63           HN       SER  63   5.062 -29.816  31.722
  519    HA   SER  63           HA       SER  63   2.999 -31.823  31.652
  520    HB2  SER  63           HB2      SER  63   5.435 -32.250  32.209
  521    HB3  SER  63           HB1      SER  63   5.146 -31.444  33.749
  522    HG   SER  63           HG       SER  63   3.844 -33.748  32.719
  523    H    SER  64           HN       SER  64   3.276 -28.775  33.050
  524    HA   SER  64           HA       SER  64   1.869 -29.298  35.510
  525    HB2  SER  64           HB2      SER  64   1.641 -26.748  35.484
  526    HB3  SER  64           HB1      SER  64   3.279 -27.395  35.531
  527    HG   SER  64           HG       SER  64   3.523 -26.200  33.816
  528    H    GLU  65           HN       GLU  65   0.665 -30.158  32.906
  529    HA   GLU  65           HA       GLU  65  -1.397 -30.221  31.890
  530    HB2  GLU  65           HB2      GLU  65  -2.153 -29.230  34.644
  531    HB3  GLU  65           HB1      GLU  65  -3.334 -29.702  33.423
  532    HG2  GLU  65           HG2      GLU  65  -3.001 -31.645  34.762
  533    HG3  GLU  65           HG1      GLU  65  -2.085 -31.937  33.287
  534    H    ARG  66           HN       ARG  66   0.248 -27.610  32.084
  535    HA   ARG  66           HA       ARG  66  -1.719 -25.524  31.818
  536    HB2  ARG  66           HB2      ARG  66   1.249 -25.629  31.300
  537    HB3  ARG  66           HB1      ARG  66   0.275 -24.179  31.050
  538    HG2  ARG  66           HG2      ARG  66  -0.440 -24.239  33.402
  539    HG3  ARG  66           HG1      ARG  66   0.503 -25.706  33.660
  540    HD2  ARG  66           HD2      ARG  66   1.811 -23.818  34.440
  541    HD3  ARG  66           HD1      ARG  66   2.555 -24.437  32.968
  542    HE   ARG  66           HE       ARG  66   0.710 -22.390  32.309
  543   HH11  ARG  66          HH21      ARG  66   3.773 -22.942  33.822
  544   HH12  ARG  66          HH22      ARG  66   4.420 -21.393  33.392
  545   HH21  ARG  66          HH11      ARG  66   1.550 -20.359  31.743
  546   HH22  ARG  66          HH12      ARG  66   3.160 -19.931  32.215
  547    H    LEU  67           HN       LEU  67  -0.449 -27.914  29.747
  548    HA   LEU  67           HA       LEU  67  -0.258 -26.818  27.261
  549    HB2  LEU  67           HB2      LEU  67  -1.239 -28.932  26.379
  550    HB3  LEU  67           HB1      LEU  67   0.003 -29.196  27.590
  551    HG   LEU  67           HG       LEU  67  -2.301 -29.041  29.156
  552   HD11  LEU  67          HD11      LEU  67  -3.663 -29.068  27.061
  553   HD12  LEU  67          HD12      LEU  67  -3.987 -30.439  28.121
  554   HD13  LEU  67          HD13      LEU  67  -2.988 -30.652  26.683
  555   HD21  LEU  67          HD21      LEU  67  -2.041 -31.476  29.415
  556   HD22  LEU  67          HD22      LEU  67  -0.462 -30.690  29.367
  557   HD23  LEU  67          HD23      LEU  67  -1.066 -31.539  27.944
  558    H    ASN  68           HN       ASN  68  -3.075 -26.946  29.260
  559    HA   ASN  68           HA       ASN  68  -5.183 -26.832  27.496
  560    HB2  ASN  68           HB2      ASN  68  -6.329 -25.419  29.169
  561    HB3  ASN  68           HB1      ASN  68  -5.491 -26.777  29.917
  562   HD21  ASN  68          HD21      ASN  68  -5.341 -25.526  31.957
  563   HD22  ASN  68          HD22      ASN  68  -4.204 -24.274  32.109
  564    H    ALA  69           HN       ALA  69  -2.646 -24.531  27.969
  565    HA   ALA  69           HA       ALA  69  -4.029 -22.375  26.571
  566    HB1  ALA  69           HB1      ALA  69  -1.809 -21.213  26.837
  567    HB2  ALA  69           HB2      ALA  69  -1.241 -22.637  27.708
  568    HB3  ALA  69           HB3      ALA  69  -2.580 -21.687  28.350
  569    H    PHE  70           HN       PHE  70  -1.734 -24.920  25.928
  570    HA   PHE  70           HA       PHE  70  -0.577 -23.963  23.564
  571    HB2  PHE  70           HB2      PHE  70   0.486 -25.960  23.777
  572    HB3  PHE  70           HB1      PHE  70  -0.658 -26.445  25.009
  573    HD1  PHE  70           HD2      PHE  70  -0.031 -26.393  21.355
  574    HD2  PHE  70           HD1      PHE  70  -2.393 -28.026  24.545
  575    HE1  PHE  70           HE2      PHE  70  -1.051 -28.016  19.779
  576    HE2  PHE  70           HE1      PHE  70  -3.421 -29.633  22.965
  577    HZ   PHE  70           HZ       PHE  70  -2.749 -29.628  20.583
  578    H    ARG  71           HN       ARG  71  -3.734 -25.254  24.227
  579    HA   ARG  71           HA       ARG  71  -4.482 -25.963  21.614
  580    HB2  ARG  71           HB2      ARG  71  -6.127 -25.046  23.972
  581    HB3  ARG  71           HB1      ARG  71  -6.824 -25.621  22.453
  582    HG2  ARG  71           HG2      ARG  71  -5.658 -27.770  22.708
  583    HG3  ARG  71           HG1      ARG  71  -4.919 -27.203  24.207
  584    HD2  ARG  71           HD2      ARG  71  -7.140 -26.954  25.227
  585    HD3  ARG  71           HD1      ARG  71  -7.900 -27.480  23.727
  586    HE   ARG  71           HE       ARG  71  -6.145 -29.506  24.417
  587   HH11  ARG  71          HH21      ARG  71  -8.826 -27.855  25.854
  588   HH12  ARG  71          HH22      ARG  71  -9.363 -29.229  26.761
  589   HH21  ARG  71          HH11      ARG  71  -6.845 -31.312  25.601
  590   HH22  ARG  71          HH12      ARG  71  -8.242 -31.187  26.618
  591    H    GLU  72           HN       GLU  72  -4.493 -22.911  23.344
  592    HA   GLU  72           HA       GLU  72  -6.055 -21.377  21.593
  593    HB2  GLU  72           HB2      GLU  72  -3.674 -20.580  23.286
  594    HB3  GLU  72           HB1      GLU  72  -4.746 -19.440  22.476
  595    HG2  GLU  72           HG2      GLU  72  -6.662 -20.302  23.726
  596    HG3  GLU  72           HG1      GLU  72  -5.640 -21.513  24.497
  597    H    LEU  73           HN       LEU  73  -2.530 -21.921  21.642
  598    HA   LEU  73           HA       LEU  73  -1.990 -20.406  19.312
  599    HB2  LEU  73           HB2      LEU  73  -0.204 -21.006  20.855
  600    HB3  LEU  73           HB1      LEU  73  -0.476 -22.721  20.551
  601    HG   LEU  73           HG       LEU  73   0.196 -22.449  18.208
  602   HD11  LEU  73          HD11      LEU  73   1.270 -20.113  17.667
  603   HD12  LEU  73          HD12      LEU  73   0.226 -19.530  18.965
  604   HD13  LEU  73          HD13      LEU  73  -0.476 -20.304  17.543
  605   HD21  LEU  73          HD21      LEU  73   2.179 -21.100  20.065
  606   HD22  LEU  73          HD22      LEU  73   2.558 -21.943  18.563
  607   HD23  LEU  73          HD23      LEU  73   1.934 -22.842  19.948
  608    H    ARG  74           HN       ARG  74  -2.685 -23.841  19.828
  609    HA   ARG  74           HA       ARG  74  -2.299 -24.669  17.158
  610    HB2  ARG  74           HB2      ARG  74  -2.387 -26.297  18.946
  611    HB3  ARG  74           HB1      ARG  74  -4.028 -25.808  19.358
  612    HG2  ARG  74           HG2      ARG  74  -4.886 -26.631  17.263
  613    HG3  ARG  74           HG1      ARG  74  -3.257 -26.935  16.656
  614    HD2  ARG  74           HD2      ARG  74  -2.939 -28.579  18.511
  615    HD3  ARG  74           HD1      ARG  74  -4.620 -28.329  18.975
  616    HE   ARG  74           HE       ARG  74  -4.418 -29.023  16.213
  617   HH11  ARG  74          HH21      ARG  74  -4.227 -30.265  19.433
  618   HH12  ARG  74          HH22      ARG  74  -4.713 -31.868  18.995
  619   HH21  ARG  74          HH11      ARG  74  -5.058 -31.123  15.624
  620   HH22  ARG  74          HH12      ARG  74  -5.183 -32.355  16.836
  621    H    THR  75           HN       THR  75  -4.859 -22.990  18.754
  622    HA   THR  75           HA       THR  75  -6.991 -23.591  17.033
  623    HB   THR  75           HB       THR  75  -6.563 -20.950  18.346
  624    HG1  THR  75           HG1      THR  75  -6.315 -22.234  20.031
  625   HG21  THR  75          HG21      THR  75  -9.000 -22.583  17.680
  626   HG22  THR  75          HG22      THR  75  -8.482 -21.101  16.878
  627   HG23  THR  75          HG23      THR  75  -9.022 -21.052  18.554
  628    H    GLN  76           HN       GLN  76  -4.517 -21.062  16.919
  629    HA   GLN  76           HA       GLN  76  -5.477 -19.792  14.564
  630    HB2  GLN  76           HB2      GLN  76  -2.846 -19.826  16.038
  631    HB3  GLN  76           HB1      GLN  76  -2.980 -19.016  14.473
  632    HG2  GLN  76           HG2      GLN  76  -3.391 -17.483  16.403
  633    HG3  GLN  76           HG1      GLN  76  -4.768 -17.594  15.310
  634   HE21  GLN  76          HE21      GLN  76  -3.707 -18.128  18.573
  635   HE22  GLN  76          HE22      GLN  76  -5.161 -18.784  19.154
  636    H    LEU  77           HN       LEU  77  -2.967 -22.254  15.117
  637    HA   LEU  77           HA       LEU  77  -2.214 -22.556  12.405
  638    HB2  LEU  77           HB2      LEU  77  -1.941 -24.241  14.881
  639    HB3  LEU  77           HB1      LEU  77  -1.510 -24.926  13.315
  640    HG   LEU  77           HG       LEU  77   0.122 -23.180  12.927
  641   HD11  LEU  77          HD11      LEU  77  -0.889 -21.229  13.817
  642   HD12  LEU  77          HD12      LEU  77   0.511 -21.504  14.852
  643   HD13  LEU  77          HD13      LEU  77  -1.097 -21.962  15.404
  644   HD21  LEU  77          HD21      LEU  77   1.011 -24.978  14.225
  645   HD22  LEU  77          HD22      LEU  77   0.241 -24.389  15.699
  646   HD23  LEU  77          HD23      LEU  77   1.586 -23.496  14.986
  647    H    GLU  78           HN       GLU  78  -4.655 -24.124  14.416
  648    HA   GLU  78           HA       GLU  78  -5.456 -26.051  12.486
  649    HB2  GLU  78           HB2      GLU  78  -5.956 -26.222  14.912
  650    HB3  GLU  78           HB1      GLU  78  -7.069 -24.862  14.756
  651    HG2  GLU  78           HG2      GLU  78  -8.410 -26.129  13.126
  652    HG3  GLU  78           HG1      GLU  78  -7.289 -27.483  13.245
  653    H    LYS  79           HN       LYS  79  -6.903 -22.938  13.478
  654    HA   LYS  79           HA       LYS  79  -8.940 -22.953  11.516
  655    HB2  LYS  79           HB2      LYS  79  -7.680 -20.732  13.126
  656    HB3  LYS  79           HB1      LYS  79  -9.009 -20.458  11.999
  657    HG2  LYS  79           HG2      LYS  79 -10.370 -22.135  13.222
  658    HG3  LYS  79           HG1      LYS  79  -9.048 -22.348  14.372
  659    HD2  LYS  79           HD2      LYS  79  -9.189 -19.960  14.980
  660    HD3  LYS  79           HD1      LYS  79 -10.511 -19.747  13.835
  661    HE2  LYS  79           HE2      LYS  79 -10.611 -21.735  16.117
  662    HE3  LYS  79           HE1      LYS  79 -11.242 -20.092  16.239
  663    HZ1  LYS  79           HZ1      LYS  79 -12.065 -21.760  13.970
  664    HZ2  LYS  79           HZ2      LYS  79 -12.911 -20.516  14.760
  665    HZ3  LYS  79           HZ3      LYS  79 -12.772 -22.045  15.486
  666    H    ALA  80           HN       ALA  80  -5.678 -21.610  11.611
  667    HA   ALA  80           HA       ALA  80  -5.828 -20.262   9.130
  668    HB1  ALA  80           HB1      ALA  80  -4.070 -19.768  10.770
  669    HB2  ALA  80           HB2      ALA  80  -3.366 -20.233   9.222
  670    HB3  ALA  80           HB3      ALA  80  -3.407 -21.389  10.554
  671    H    LEU  81           HN       LEU  81  -5.033 -23.549  10.056
  672    HA   LEU  81           HA       LEU  81  -3.951 -24.396   7.591
  673    HB2  LEU  81           HB2      LEU  81  -3.665 -25.747   9.579
  674    HB3  LEU  81           HB1      LEU  81  -5.408 -25.949   9.739
  675    HG   LEU  81           HG       LEU  81  -5.499 -27.206   7.636
  676   HD11  LEU  81          HD11      LEU  81  -3.854 -26.280   6.237
  677   HD12  LEU  81          HD12      LEU  81  -3.159 -27.840   6.656
  678   HD13  LEU  81          HD13      LEU  81  -2.602 -26.382   7.476
  679   HD21  LEU  81          HD21      LEU  81  -4.023 -29.148   8.303
  680   HD22  LEU  81          HD22      LEU  81  -5.071 -28.546   9.587
  681   HD23  LEU  81          HD23      LEU  81  -3.359 -28.122   9.575
  682    H    GLY  82           HN       GLY  82  -7.260 -24.453   8.864
  683    HA2  GLY  82           HA2      GLY  82  -8.310 -25.536   6.364
  684    HA3  GLY  82           HA1      GLY  82  -9.225 -25.188   7.826
  685    H    LEU  83           HN       LEU  83  -8.060 -22.506   8.050
  686    HA   LEU  83           HA       LEU  83  -8.737 -20.370   7.554
  687    HB2  LEU  83           HB2      LEU  83  -7.826 -21.629   5.022
  688    HB3  LEU  83           HB1      LEU  83  -8.756 -20.146   4.821
  689    HG   LEU  83           HG       LEU  83  -6.511 -20.242   6.833
  690   HD11  LEU  83          HD11      LEU  83  -6.256 -19.842   3.841
  691   HD12  LEU  83          HD12      LEU  83  -5.423 -21.032   4.838
  692   HD13  LEU  83          HD13      LEU  83  -5.028 -19.322   4.996
  693   HD21  LEU  83          HD21      LEU  83  -8.247 -18.326   6.531
  694   HD22  LEU  83          HD22      LEU  83  -7.354 -17.945   5.062
  695   HD23  LEU  83          HD23      LEU  83  -6.542 -17.890   6.628
  696    H    GLU  84           HN       GLU  84 -10.714 -22.840   7.256
  697    HA   GLU  84           HA       GLU  84 -12.862 -21.481   5.789
  698    HB2  GLU  84           HB2      GLU  84 -14.075 -23.625   6.130
  699    HB3  GLU  84           HB1      GLU  84 -12.542 -23.831   5.282
  700    HG2  GLU  84           HG2      GLU  84 -11.455 -24.470   7.407
  701    HG3  GLU  84           HG1      GLU  84 -12.994 -24.282   8.247
  702    H    HIS  85           HN       HIS  85 -14.862 -21.031   6.744
  703    HA   HIS  85           HA       HIS  85 -14.688 -20.215   9.509
  704    HB2  HIS  85           HB2      HIS  85 -16.937 -20.064   7.489
  705    HB3  HIS  85           HB1      HIS  85 -17.004 -19.372   9.111
  706    HD2  HIS  85           HD2      HIS  85 -15.160 -17.173   9.533
  707    HE1  HIS  85           HE1      HIS  85 -14.347 -16.622   5.428
  708    HE2  HIS  85           HE2      HIS  85 -14.085 -15.608   7.741
  709    H    HIS  86           HN       HIS  86 -16.740 -20.658  10.887
  710    HA   HIS  86           HA       HIS  86 -16.758 -23.352  11.613
  711    HB2  HIS  86           HB2      HIS  86 -17.497 -21.404  13.030
  712    HB3  HIS  86           HB1      HIS  86 -19.004 -21.392  12.117
  713    HD2  HIS  86           HD2      HIS  86 -17.392 -23.328  15.048
  714    HE1  HIS  86           HE1      HIS  86 -20.922 -25.399  14.010
  715    HE2  HIS  86           HE2      HIS  86 -19.068 -25.210  15.735
  716    H    HIS  87           HN       HIS  87 -18.213 -21.892   8.936
  717    HA   HIS  87           HA       HIS  87 -20.617 -23.323   8.659
  718    HB2  HIS  87           HB2      HIS  87 -18.709 -22.154   6.628
  719    HB3  HIS  87           HB1      HIS  87 -20.217 -22.940   6.162
  720    HD2  HIS  87           HD2      HIS  87 -22.570 -21.493   6.822
  721    HE1  HIS  87           HE1      HIS  87 -20.583 -18.063   8.273
  722    HE2  HIS  87           HE2      HIS  87 -22.841 -19.020   7.611
  723    H    HIS  88           HN       HIS  88 -17.311 -24.131   7.626
  724    HA   HIS  88           HA       HIS  88 -16.391 -26.095   6.867
  725    HB2  HIS  88           HB2      HIS  88 -16.892 -26.766   9.166
  726    HB3  HIS  88           HB1      HIS  88 -18.521 -27.245   8.687
  727    HD2  HIS  88           HD2      HIS  88 -18.671 -29.874   7.854
  728    HE1  HIS  88           HE1      HIS  88 -14.563 -30.504   7.115
  729    HE2  HIS  88           HE2      HIS  88 -16.847 -31.612   7.168
  730    H    HIS  89           HN       HIS  89 -16.935 -28.289   5.829
  731    HA   HIS  89           HA       HIS  89 -18.535 -27.821   3.530
  732    HB2  HIS  89           HB2      HIS  89 -17.264 -30.328   4.643
  733    HB3  HIS  89           HB1      HIS  89 -18.045 -30.242   3.064
  734    HD2  HIS  89           HD2      HIS  89 -16.614 -28.728   1.111
  735    HE1  HIS  89           HE1      HIS  89 -13.170 -28.131   3.479
  736    HE2  HIS  89           HE2      HIS  89 -14.138 -27.900   1.143
  737    H    HIS  90           HN       HIS  90 -20.569 -28.539   2.973
  738    HA   HIS  90           HA       HIS  90 -22.425 -29.096   5.061
  739    HB2  HIS  90           HB2      HIS  90 -24.077 -29.341   3.293
  740    HB3  HIS  90           HB1      HIS  90 -23.047 -27.956   2.933
  741    HD2  HIS  90           HD2      HIS  90 -24.098 -31.284   1.306
  742    HE1  HIS  90           HE1      HIS  90 -20.815 -29.842  -0.923
  743    HE2  HIS  90           HE2      HIS  90 -22.673 -31.571  -0.863
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  -4.613  -8.477  18.390
    2    H2   MET   1           HT2      MET   1  -5.931  -9.543  18.283
    3    H3   MET   1           HT3      MET   1  -6.187  -7.865  18.231
    4    HA   MET   1           HA       MET   1  -6.380  -8.764  16.022
    5    HB2  MET   1           HB2      MET   1  -3.851  -7.181  16.550
    6    HB3  MET   1           HB1      MET   1  -4.547  -7.416  14.948
    7    HG2  MET   1           HG2      MET   1  -6.632  -6.342  15.670
    8    HG3  MET   1           HG1      MET   1  -5.984  -6.153  17.299
    9    HE1  MET   1           HE1      MET   1  -5.627  -5.635  13.689
   10    HE2  MET   1           HE2      MET   1  -3.877  -5.462  13.778
   11    HE3  MET   1           HE3      MET   1  -4.877  -4.054  13.438
   12    H    GLY   2           HN       GLY   2  -6.027 -10.624  14.996
   13    HA2  GLY   2           HA2      GLY   2  -4.873 -12.362  13.989
   14    HA3  GLY   2           HA1      GLY   2  -3.367 -11.616  14.516
   15    H    VAL   3           HN       VAL   3  -2.787 -13.904  14.964
   16    HA   VAL   3           HA       VAL   3  -3.833 -14.832  17.585
   17    HB   VAL   3           HB       VAL   3  -3.038 -17.089  16.868
   18   HG11  VAL   3          HG11      VAL   3  -4.914 -17.489  15.340
   19   HG12  VAL   3          HG12      VAL   3  -5.020 -15.762  14.995
   20   HG13  VAL   3          HG13      VAL   3  -5.397 -16.363  16.609
   21   HG21  VAL   3          HG21      VAL   3  -2.570 -15.607  14.261
   22   HG22  VAL   3          HG22      VAL   3  -2.660 -17.362  14.381
   23   HG23  VAL   3          HG23      VAL   3  -1.375 -16.488  15.211
   24    H    TRP   4           HN       TRP   4  -2.461 -14.939  19.225
   25    HA   TRP   4           HA       TRP   4   0.283 -14.078  18.841
   26    HB2  TRP   4           HB2      TRP   4  -1.302 -14.833  21.303
   27    HB3  TRP   4           HB1      TRP   4   0.367 -14.259  21.335
   28    HD1  TRP   4           HD1      TRP   4  -3.154 -13.073  21.177
   29    HE1  TRP   4           HE1      TRP   4  -3.219 -10.515  20.870
   30    HE3  TRP   4           HE3      TRP   4   1.753 -12.196  20.078
   31    HZ2  TRP   4           HZ2      TRP   4  -1.424  -8.378  20.240
   32    HZ3  TRP   4           HZ3      TRP   4   2.549  -9.893  19.628
   33    HH2  TRP   4           HH2      TRP   4   0.969  -7.985  19.708
   34    H    THR   5           HN       THR   5   1.601 -15.572  18.027
   35    HA   THR   5           HA       THR   5   1.571 -18.300  19.155
   36    HB   THR   5           HB       THR   5   3.263 -17.888  16.773
   37    HG1  THR   5           HG1      THR   5   0.504 -17.280  16.701
   38   HG21  THR   5          HG21      THR   5   0.835 -19.660  17.102
   39   HG22  THR   5          HG22      THR   5   2.405 -20.075  17.788
   40   HG23  THR   5          HG23      THR   5   2.225 -19.902  16.043
   41    HA   PRO   6           HA       PRO   6   6.206 -16.649  19.031
   42    HB2  PRO   6           HB2      PRO   6   5.503 -13.800  19.644
   43    HB3  PRO   6           HB1      PRO   6   6.810 -14.443  18.635
   44    HG2  PRO   6           HG2      PRO   6   4.688 -13.376  17.502
   45    HG3  PRO   6           HG1      PRO   6   5.384 -14.879  16.848
   46    HD2  PRO   6           HD2      PRO   6   2.949 -14.538  18.580
   47    HD3  PRO   6           HD1      PRO   6   3.178 -15.585  17.157
   48    H    GLU   7           HN       GLU   7   7.492 -16.411  20.924
   49    HA   GLU   7           HA       GLU   7   6.495 -17.276  23.307
   50    HB2  GLU   7           HB2      GLU   7   8.796 -15.366  22.847
   51    HB3  GLU   7           HB1      GLU   7   8.467 -16.156  24.389
   52    HG2  GLU   7           HG2      GLU   7   8.697 -18.356  23.348
   53    HG3  GLU   7           HG1      GLU   7   8.940 -17.608  21.770
   54    H    VAL   8           HN       VAL   8   6.038 -14.178  21.902
   55    HA   VAL   8           HA       VAL   8   5.712 -12.432  23.991
   56    HB   VAL   8           HB       VAL   8   3.943 -12.799  21.563
   57   HG11  VAL   8          HG11      VAL   8   4.067 -10.613  23.651
   58   HG12  VAL   8          HG12      VAL   8   2.653 -11.522  23.114
   59   HG13  VAL   8          HG13      VAL   8   3.403 -10.342  22.039
   60   HG21  VAL   8          HG21      VAL   8   6.376 -12.290  21.199
   61   HG22  VAL   8          HG22      VAL   8   6.163 -10.818  22.145
   62   HG23  VAL   8          HG23      VAL   8   5.301 -11.018  20.620
   63    H    LEU   9           HN       LEU   9   3.884 -15.288  23.294
   64    HA   LEU   9           HA       LEU   9   1.670 -14.554  25.040
   65    HB2  LEU   9           HB2      LEU   9   1.248 -15.931  23.038
   66    HB3  LEU   9           HB1      LEU   9   2.318 -17.179  23.671
   67    HG   LEU   9           HG       LEU   9   0.842 -17.445  25.644
   68   HD11  LEU   9          HD11      LEU   9  -0.236 -15.423  26.047
   69   HD12  LEU   9          HD12      LEU   9  -1.528 -16.318  25.253
   70   HD13  LEU   9          HD13      LEU   9  -0.584 -15.141  24.341
   71   HD21  LEU   9          HD21      LEU   9   0.438 -18.901  23.758
   72   HD22  LEU   9          HD22      LEU   9  -0.495 -17.653  22.932
   73   HD23  LEU   9          HD23      LEU   9  -1.127 -18.401  24.400
   74    H    LYS  10           HN       LYS  10   4.077 -17.185  24.970
   75    HA   LYS  10           HA       LYS  10   3.590 -18.066  27.609
   76    HB2  LYS  10           HB2      LYS  10   4.734 -19.405  25.855
   77    HB3  LYS  10           HB1      LYS  10   6.127 -18.335  25.992
   78    HG2  LYS  10           HG2      LYS  10   6.399 -18.935  28.350
   79    HG3  LYS  10           HG1      LYS  10   4.952 -19.934  28.282
   80    HD2  LYS  10           HD2      LYS  10   6.659 -21.516  28.008
   81    HD3  LYS  10           HD1      LYS  10   6.186 -21.185  26.346
   82    HE2  LYS  10           HE2      LYS  10   8.653 -21.177  26.629
   83    HE3  LYS  10           HE1      LYS  10   8.057 -19.605  26.109
   84    HZ1  LYS  10           HZ1      LYS  10   9.604 -20.104  28.302
   85    HZ2  LYS  10           HZ2      LYS  10   8.051 -19.871  28.948
   86    HZ3  LYS  10           HZ3      LYS  10   8.760 -18.669  27.981
   87    H    ALA  11           HN       ALA  11   5.945 -15.807  26.251
   88    HA   ALA  11           HA       ALA  11   7.519 -15.338  28.495
   89    HB1  ALA  11           HB1      ALA  11   8.136 -13.253  27.457
   90    HB2  ALA  11           HB2      ALA  11   6.654 -13.230  26.500
   91    HB3  ALA  11           HB3      ALA  11   7.900 -14.432  26.166
   92    H    ARG  12           HN       ARG  12   4.445 -13.864  27.520
   93    HA   ARG  12           HA       ARG  12   4.286 -11.998  29.636
   94    HB2  ARG  12           HB2      ARG  12   2.185 -13.313  27.907
   95    HB3  ARG  12           HB1      ARG  12   1.797 -12.072  29.093
   96    HG2  ARG  12           HG2      ARG  12   3.941 -11.571  27.032
   97    HG3  ARG  12           HG1      ARG  12   2.243 -11.363  26.607
   98    HD2  ARG  12           HD2      ARG  12   1.958  -9.752  28.426
   99    HD3  ARG  12           HD1      ARG  12   3.618  -9.997  28.938
  100    HE   ARG  12           HE       ARG  12   3.233  -9.091  26.188
  101   HH11  ARG  12          HH21      ARG  12   3.943  -8.359  29.500
  102   HH12  ARG  12          HH22      ARG  12   4.695  -6.842  29.146
  103   HH21  ARG  12          HH11      ARG  12   4.210  -7.097  25.723
  104   HH22  ARG  12          HH12      ARG  12   4.842  -6.125  27.009
  105    H    ALA  13           HN       ALA  13   3.037 -15.292  29.265
  106    HA   ALA  13           HA       ALA  13   1.751 -15.385  31.802
  107    HB1  ALA  13           HB1      ALA  13   2.712 -17.536  29.913
  108    HB2  ALA  13           HB2      ALA  13   1.062 -16.961  30.144
  109    HB3  ALA  13           HB3      ALA  13   1.859 -17.889  31.415
  110    H    SER  14           HN       SER  14   4.959 -16.219  30.634
  111    HA   SER  14           HA       SER  14   5.816 -17.154  33.274
  112    HB2  SER  14           HB2      SER  14   7.178 -17.058  30.578
  113    HB3  SER  14           HB1      SER  14   7.989 -17.567  32.058
  114    HG   SER  14           HG       SER  14   5.582 -18.767  31.789
  115    H    VAL  15           HN       VAL  15   5.318 -14.244  31.978
  116    HA   VAL  15           HA       VAL  15   6.076 -12.124  32.415
  117    HB   VAL  15           HB       VAL  15   7.726 -13.405  34.603
  118   HG11  VAL  15          HG11      VAL  15   7.432 -11.211  35.677
  119   HG12  VAL  15          HG12      VAL  15   6.497 -10.652  34.290
  120   HG13  VAL  15          HG13      VAL  15   8.207 -11.035  34.103
  121   HG21  VAL  15          HG21      VAL  15   4.827 -12.509  34.611
  122   HG22  VAL  15          HG22      VAL  15   5.739 -12.996  36.039
  123   HG23  VAL  15          HG23      VAL  15   5.398 -14.170  34.768
  124    H    ILE  16           HN       ILE  16   8.946 -14.040  33.296
  125    HA   ILE  16           HA       ILE  16  10.536 -12.451  31.381
  126    HB   ILE  16           HB       ILE  16  12.477 -13.434  32.675
  127   HG12  ILE  16          HG12      ILE  16  10.260 -14.228  34.592
  128   HG13  ILE  16          HG11      ILE  16  11.169 -15.366  33.598
  129   HG21  ILE  16          HG21      ILE  16  11.535 -11.157  33.067
  130   HG22  ILE  16          HG22      ILE  16  12.190 -11.879  34.537
  131   HG23  ILE  16          HG23      ILE  16  10.447 -11.844  34.273
  132   HD11  ILE  16          HD11      ILE  16  12.148 -15.257  35.840
  133   HD12  ILE  16          HD12      ILE  16  12.334 -13.510  35.690
  134   HD13  ILE  16          HD13      ILE  16  13.273 -14.588  34.658
  135    H    GLY  17           HN       GLY  17  11.539 -13.356  29.685
  136    HA2  GLY  17           HA2      GLY  17  10.853 -16.098  28.990
  137    HA3  GLY  17           HA1      GLY  17  11.665 -14.923  27.959
  138    H    LYS  18           HN       LYS  18  12.194 -17.808  29.045
  139    HA   LYS  18           HA       LYS  18  15.084 -17.467  29.186
  140    HB2  LYS  18           HB2      LYS  18  13.488 -18.693  31.447
  141    HB3  LYS  18           HB1      LYS  18  15.232 -18.879  31.255
  142    HG2  LYS  18           HG2      LYS  18  15.336 -16.310  31.182
  143    HG3  LYS  18           HG1      LYS  18  13.676 -16.341  31.774
  144    HD2  LYS  18           HD2      LYS  18  16.018 -17.705  33.132
  145    HD3  LYS  18           HD1      LYS  18  15.341 -16.150  33.619
  146    HE2  LYS  18           HE2      LYS  18  13.085 -17.382  33.794
  147    HE3  LYS  18           HE1      LYS  18  14.030 -18.870  33.716
  148    HZ1  LYS  18           HZ1      LYS  18  14.799 -18.582  35.777
  149    HZ2  LYS  18           HZ2      LYS  18  13.502 -17.501  35.970
  150    HZ3  LYS  18           HZ3      LYS  18  15.048 -16.916  35.573
  151    HA   PRO  19           HA       PRO  19  13.285 -21.354  27.179
  152    HB2  PRO  19           HB2      PRO  19  13.911 -20.747  24.582
  153    HB3  PRO  19           HB1      PRO  19  12.368 -20.305  25.339
  154    HG2  PRO  19           HG2      PRO  19  14.807 -18.637  24.906
  155    HG3  PRO  19           HG1      PRO  19  13.100 -18.213  24.682
  156    HD2  PRO  19           HD2      PRO  19  14.500 -17.455  26.895
  157    HD3  PRO  19           HD1      PRO  19  12.759 -17.816  26.948
  158    H    ILE  20           HN       ILE  20  14.539 -23.069  26.236
  159    HA   ILE  20           HA       ILE  20  17.306 -23.009  26.997
  160    HB   ILE  20           HB       ILE  20  15.922 -25.038  27.246
  161   HG12  ILE  20          HG12      ILE  20  18.144 -25.428  25.213
  162   HG13  ILE  20          HG11      ILE  20  18.420 -25.139  26.937
  163   HG21  ILE  20          HG21      ILE  20  14.674 -24.546  25.038
  164   HG22  ILE  20          HG22      ILE  20  15.063 -26.229  25.385
  165   HG23  ILE  20          HG23      ILE  20  16.044 -25.318  24.238
  166   HD11  ILE  20          HD11      ILE  20  18.476 -27.516  26.651
  167   HD12  ILE  20          HD12      ILE  20  17.016 -27.500  25.660
  168   HD13  ILE  20          HD13      ILE  20  16.915 -27.149  27.386
  169    H    GLY  21           HN       GLY  21  19.010 -22.488  25.784
  170    HA2  GLY  21           HA2      GLY  21  18.592 -21.729  23.013
  171    HA3  GLY  21           HA1      GLY  21  20.082 -21.553  23.934
  172    H    GLU  22           HN       GLU  22  18.492 -23.302  21.550
  173    HA   GLU  22           HA       GLU  22  20.732 -24.914  20.937
  174    HB2  GLU  22           HB2      GLU  22  19.940 -26.150  22.967
  175    HB3  GLU  22           HB1      GLU  22  18.409 -26.433  22.149
  176    HG2  GLU  22           HG2      GLU  22  19.434 -27.776  20.477
  177    HG3  GLU  22           HG1      GLU  22  21.053 -27.242  20.928
  178    H    SER  23           HN       SER  23  20.205 -26.502  19.171
  179    HA   SER  23           HA       SER  23  18.849 -25.312  17.071
  180    HB2  SER  23           HB2      SER  23  19.460 -28.224  17.596
  181    HB3  SER  23           HB1      SER  23  18.806 -27.636  16.071
  182    HG   SER  23           HG       SER  23  21.269 -26.989  17.316
  183    H    TYR  24           HN       TYR  24  17.641 -27.418  19.608
  184    HA   TYR  24           HA       TYR  24  15.130 -28.037  18.466
  185    HB2  TYR  24           HB2      TYR  24  15.989 -27.821  21.357
  186    HB3  TYR  24           HB1      TYR  24  14.427 -28.454  20.831
  187    HD1  TYR  24           HD2      TYR  24  14.557 -30.299  18.914
  188    HD2  TYR  24           HD1      TYR  24  17.755 -29.341  21.616
  189    HE1  TYR  24           HE2      TYR  24  15.585 -32.515  18.483
  190    HE2  TYR  24           HE1      TYR  24  18.786 -31.553  21.181
  191    HH   TYR  24           HH       TYR  24  17.184 -33.949  19.097
  192    H    LYS  25           HN       LYS  25  16.321 -25.258  20.240
  193    HA   LYS  25           HA       LYS  25  13.938 -24.025  20.981
  194    HB2  LYS  25           HB2      LYS  25  16.224 -23.236  21.599
  195    HB3  LYS  25           HB1      LYS  25  16.437 -22.665  19.945
  196    HG2  LYS  25           HG2      LYS  25  14.647 -21.083  20.169
  197    HG3  LYS  25           HG1      LYS  25  14.157 -21.772  21.717
  198    HD2  LYS  25           HD2      LYS  25  15.403 -19.735  22.139
  199    HD3  LYS  25           HD1      LYS  25  16.392 -21.100  22.639
  200    HE2  LYS  25           HE2      LYS  25  17.778 -20.942  20.711
  201    HE3  LYS  25           HE1      LYS  25  16.632 -19.887  19.882
  202    HZ1  LYS  25           HZ1      LYS  25  17.135 -18.120  21.322
  203    HZ2  LYS  25           HZ2      LYS  25  18.638 -18.787  20.893
  204    HZ3  LYS  25           HZ3      LYS  25  17.959 -19.122  22.414
  205    H    ARG  26           HN       ARG  26  14.888 -24.894  17.905
  206    HA   ARG  26           HA       ARG  26  14.096 -22.758  16.294
  207    HB2  ARG  26           HB2      ARG  26  15.281 -24.769  15.478
  208    HB3  ARG  26           HB1      ARG  26  13.810 -25.711  15.718
  209    HG2  ARG  26           HG2      ARG  26  12.609 -24.217  14.138
  210    HG3  ARG  26           HG1      ARG  26  14.099 -23.312  13.881
  211    HD2  ARG  26           HD2      ARG  26  15.175 -25.456  13.118
  212    HD3  ARG  26           HD1      ARG  26  13.588 -26.219  13.207
  213    HE   ARG  26           HE       ARG  26  13.377 -23.889  11.636
  214   HH11  ARG  26          HH21      ARG  26  14.829 -27.028  11.633
  215   HH12  ARG  26          HH22      ARG  26  14.798 -27.193   9.909
  216   HH21  ARG  26          HH11      ARG  26  13.333 -24.095   9.376
  217   HH22  ARG  26          HH12      ARG  26  13.951 -25.531   8.632
  218    H    ILE  27           HN       ILE  27  12.243 -25.377  17.776
  219    HA   ILE  27           HA       ILE  27   9.813 -25.084  16.542
  220    HB   ILE  27           HB       ILE  27  10.176 -26.815  18.183
  221   HG12  ILE  27          HG12      ILE  27   8.065 -24.946  19.303
  222   HG13  ILE  27          HG11      ILE  27   7.841 -25.879  17.822
  223   HG21  ILE  27          HG21      ILE  27   9.991 -24.898  20.489
  224   HG22  ILE  27          HG22      ILE  27  11.544 -25.076  19.687
  225   HG23  ILE  27          HG23      ILE  27  10.762 -26.477  20.407
  226   HD11  ILE  27          HD11      ILE  27   8.724 -27.305  20.321
  227   HD12  ILE  27          HD12      ILE  27   7.789 -27.914  18.960
  228   HD13  ILE  27          HD13      ILE  27   7.031 -26.855  20.142
  229    H    LEU  28           HN       LEU  28  10.669 -23.486  19.594
  230    HA   LEU  28           HA       LEU  28   8.495 -21.696  19.600
  231    HB2  LEU  28           HB2      LEU  28  11.130 -21.818  21.037
  232    HB3  LEU  28           HB1      LEU  28  10.088 -20.411  21.236
  233    HG   LEU  28           HG       LEU  28   8.893 -23.159  21.564
  234   HD11  LEU  28          HD11      LEU  28   9.487 -23.146  23.952
  235   HD12  LEU  28          HD12      LEU  28  10.437 -21.678  23.716
  236   HD13  LEU  28          HD13      LEU  28  10.938 -23.186  22.951
  237   HD21  LEU  28          HD21      LEU  28   7.639 -20.870  21.592
  238   HD22  LEU  28          HD22      LEU  28   8.351 -20.671  23.188
  239   HD23  LEU  28          HD23      LEU  28   7.279 -22.034  22.864
  240    H    ALA  29           HN       ALA  29  11.828 -21.377  18.474
  241    HA   ALA  29           HA       ALA  29  11.734 -18.628  17.853
  242    HB1  ALA  29           HB1      ALA  29  13.754 -20.295  17.960
  243    HB2  ALA  29           HB2      ALA  29  13.805 -18.938  16.834
  244    HB3  ALA  29           HB3      ALA  29  13.396 -20.549  16.253
  245    H    LYS  30           HN       LYS  30  10.714 -21.484  16.099
  246    HA   LYS  30           HA       LYS  30  10.467 -20.349  13.539
  247    HB2  LYS  30           HB2      LYS  30  10.303 -22.813  14.126
  248    HB3  LYS  30           HB1      LYS  30   8.669 -22.487  14.692
  249    HG2  LYS  30           HG2      LYS  30   8.239 -23.113  12.490
  250    HG3  LYS  30           HG1      LYS  30   8.383 -21.369  12.301
  251    HD2  LYS  30           HD2      LYS  30  10.753 -21.633  11.648
  252    HD3  LYS  30           HD1      LYS  30  10.618 -23.376  11.861
  253    HE2  LYS  30           HE2      LYS  30   8.896 -23.463  10.110
  254    HE3  LYS  30           HE1      LYS  30   9.008 -21.717   9.901
  255    HZ1  LYS  30           HZ1      LYS  30  10.908 -23.813   9.150
  256    HZ2  LYS  30           HZ2      LYS  30  11.527 -22.296   9.603
  257    HZ3  LYS  30           HZ3      LYS  30  10.443 -22.420   8.300
  258    H    LEU  31           HN       LEU  31   8.343 -20.340  16.340
  259    HA   LEU  31           HA       LEU  31   5.956 -19.487  15.243
  260    HB2  LEU  31           HB2      LEU  31   7.146 -18.426  17.813
  261    HB3  LEU  31           HB1      LEU  31   5.434 -18.541  17.401
  262    HG   LEU  31           HG       LEU  31   7.352 -20.857  17.753
  263   HD11  LEU  31          HD11      LEU  31   6.447 -19.591  19.811
  264   HD12  LEU  31          HD12      LEU  31   6.212 -21.339  19.774
  265   HD13  LEU  31          HD13      LEU  31   4.878 -20.267  19.373
  266   HD21  LEU  31          HD21      LEU  31   5.857 -21.640  16.122
  267   HD22  LEU  31          HD22      LEU  31   4.509 -20.699  16.764
  268   HD23  LEU  31          HD23      LEU  31   5.065 -22.139  17.614
  269    H    GLN  32           HN       GLN  32   8.963 -17.806  15.496
  270    HA   GLN  32           HA       GLN  32   8.017 -15.145  15.314
  271    HB2  GLN  32           HB2      GLN  32  10.618 -16.366  14.360
  272    HB3  GLN  32           HB1      GLN  32  10.301 -14.635  14.502
  273    HG2  GLN  32           HG2      GLN  32  10.052 -16.586  16.799
  274    HG3  GLN  32           HG1      GLN  32  11.490 -15.615  16.494
  275   HE21  GLN  32          HE21      GLN  32   9.060 -15.620  18.582
  276   HE22  GLN  32          HE22      GLN  32   8.716 -13.963  18.709
  277    H    ARG  33           HN       ARG  33   8.842 -17.584  12.885
  278    HA   ARG  33           HA       ARG  33   8.563 -15.919  10.609
  279    HB2  ARG  33           HB2      ARG  33   8.656 -18.859  11.132
  280    HB3  ARG  33           HB1      ARG  33   7.977 -18.359   9.587
  281    HG2  ARG  33           HG2      ARG  33  10.593 -17.174  10.502
  282    HG3  ARG  33           HG1      ARG  33  10.569 -18.789   9.799
  283    HD2  ARG  33           HD2      ARG  33   9.479 -17.933   7.782
  284    HD3  ARG  33           HD1      ARG  33   9.401 -16.319   8.481
  285    HE   ARG  33           HE       ARG  33  11.663 -16.041   7.994
  286   HH11  ARG  33          HH21      ARG  33  10.688 -19.346   7.712
  287   HH12  ARG  33          HH22      ARG  33  12.166 -19.865   6.971
  288   HH21  ARG  33          HH11      ARG  33  13.605 -16.709   7.027
  289   HH22  ARG  33          HH12      ARG  33  13.819 -18.368   6.582
  290    H    ILE  34           HN       ILE  34   6.278 -17.972  12.359
  291    HA   ILE  34           HA       ILE  34   4.106 -17.913  10.668
  292    HB   ILE  34           HB       ILE  34   4.340 -17.923  13.663
  293   HG12  ILE  34          HG12      ILE  34   3.491 -20.185  13.382
  294   HG13  ILE  34          HG11      ILE  34   3.206 -19.912  11.673
  295   HG21  ILE  34          HG21      ILE  34   1.803 -18.467  13.579
  296   HG22  ILE  34          HG22      ILE  34   1.825 -17.663  12.010
  297   HG23  ILE  34          HG23      ILE  34   2.280 -16.773  13.463
  298   HD11  ILE  34          HD11      ILE  34   5.544 -19.757  11.211
  299   HD12  ILE  34          HD12      ILE  34   5.354 -21.161  12.257
  300   HD13  ILE  34          HD13      ILE  34   5.942 -19.645  12.921
  301    H    HIS  35           HN       HIS  35   5.286 -15.387  12.831
  302    HA   HIS  35           HA       HIS  35   3.138 -13.630  12.767
  303    HB2  HIS  35           HB2      HIS  35   5.157 -13.305  14.149
  304    HB3  HIS  35           HB1      HIS  35   6.088 -12.942  12.696
  305    HD2  HIS  35           HD2      HIS  35   3.602 -11.177  15.106
  306    HE1  HIS  35           HE1      HIS  35   4.457  -8.475  11.977
  307    HE2  HIS  35           HE2      HIS  35   3.347  -8.723  14.247
  308    H    ASN  36           HN       ASN  36   6.026 -13.378  10.675
  309    HA   ASN  36           HA       ASN  36   4.764 -11.603   8.841
  310    HB2  ASN  36           HB2      ASN  36   7.289 -13.247   8.686
  311    HB3  ASN  36           HB1      ASN  36   6.768 -12.167   7.393
  312   HD21  ASN  36          HD21      ASN  36   9.197 -11.739   8.916
  313   HD22  ASN  36          HD22      ASN  36   9.001 -10.298   9.793
  314    H    SER  37           HN       SER  37   5.350 -15.088   8.857
  315    HA   SER  37           HA       SER  37   4.176 -15.477   6.246
  316    HB2  SER  37           HB2      SER  37   5.272 -17.321   8.357
  317    HB3  SER  37           HB1      SER  37   4.421 -17.939   6.959
  318    HG   SER  37           HG       SER  37   6.718 -16.266   6.970
  319    H    ASN  38           HN       ASN  38   2.687 -14.404   8.746
  320    HA   ASN  38           HA       ASN  38   0.815 -16.140   9.733
  321    HB2  ASN  38           HB2      ASN  38  -0.737 -14.189   9.825
  322    HB3  ASN  38           HB1      ASN  38   0.877 -13.824  10.434
  323   HD21  ASN  38          HD21      ASN  38  -0.310 -11.557   9.736
  324   HD22  ASN  38          HD22      ASN  38   0.136 -11.012   8.192
  325    H    ILE  39           HN       ILE  39  -0.493 -17.532   8.785
  326    HA   ILE  39           HA       ILE  39  -1.635 -18.624   7.088
  327    HB   ILE  39           HB       ILE  39  -3.021 -15.972   6.773
  328   HG12  ILE  39          HG12      ILE  39  -3.267 -17.928   9.046
  329   HG13  ILE  39          HG11      ILE  39  -2.610 -16.302   9.168
  330   HG21  ILE  39          HG21      ILE  39  -4.068 -18.798   6.924
  331   HG22  ILE  39          HG22      ILE  39  -3.691 -17.977   5.410
  332   HG23  ILE  39          HG23      ILE  39  -4.973 -17.359   6.452
  333   HD11  ILE  39          HD11      ILE  39  -5.451 -17.105   8.524
  334   HD12  ILE  39          HD12      ILE  39  -4.838 -15.471   8.264
  335   HD13  ILE  39          HD13      ILE  39  -4.882 -16.148   9.892
  336    H    LEU  40           HN       LEU  40   0.201 -18.751   5.603
  337    HA   LEU  40           HA       LEU  40  -0.140 -16.970   3.252
  338    HB2  LEU  40           HB2      LEU  40   2.131 -17.120   4.820
  339    HB3  LEU  40           HB1      LEU  40   2.501 -18.285   3.555
  340    HG   LEU  40           HG       LEU  40   1.593 -15.435   3.053
  341   HD11  LEU  40          HD11      LEU  40   4.001 -15.233   2.215
  342   HD12  LEU  40          HD12      LEU  40   4.323 -16.736   3.078
  343   HD13  LEU  40          HD13      LEU  40   3.793 -15.306   3.962
  344   HD21  LEU  40          HD21      LEU  40   0.970 -16.842   1.214
  345   HD22  LEU  40          HD22      LEU  40   2.507 -17.704   1.272
  346   HD23  LEU  40          HD23      LEU  40   2.457 -16.028   0.730
  347    H    ASP  41           HN       ASP  41  -0.697 -17.959   1.435
  348    HA   ASP  41           HA       ASP  41  -1.485 -20.550   1.188
  349    HB2  ASP  41           HB2      ASP  41  -1.047 -20.297  -1.272
  350    HB3  ASP  41           HB1      ASP  41  -1.975 -18.986  -0.550
  351    H    GLU  42           HN       GLU  42   1.806 -19.347   0.969
  352    HA   GLU  42           HA       GLU  42   2.860 -21.910   0.084
  353    HB2  GLU  42           HB2      GLU  42   3.844 -19.786  -0.686
  354    HB3  GLU  42           HB1      GLU  42   4.287 -19.401   0.978
  355    HG2  GLU  42           HG2      GLU  42   5.709 -21.388   1.097
  356    HG3  GLU  42           HG1      GLU  42   5.209 -21.869  -0.523
  357    H    ARG  43           HN       ARG  43   3.387 -19.832   2.939
  358    HA   ARG  43           HA       ARG  43   4.763 -21.822   4.442
  359    HB2  ARG  43           HB2      ARG  43   3.338 -19.330   5.423
  360    HB3  ARG  43           HB1      ARG  43   4.529 -20.258   6.323
  361    HG2  ARG  43           HG2      ARG  43   5.381 -19.357   3.597
  362    HG3  ARG  43           HG1      ARG  43   5.182 -18.089   4.792
  363    HD2  ARG  43           HD2      ARG  43   7.482 -18.904   4.837
  364    HD3  ARG  43           HD1      ARG  43   6.678 -19.345   6.340
  365    HE   ARG  43           HE       ARG  43   6.500 -21.399   4.325
  366   HH11  ARG  43          HH21      ARG  43   8.431 -19.972   6.809
  367   HH12  ARG  43          HH22      ARG  43   9.333 -21.416   7.131
  368   HH21  ARG  43          HH11      ARG  43   7.666 -23.300   4.744
  369   HH22  ARG  43          HH12      ARG  43   8.898 -23.303   5.962
  370    H    GLN  44           HN       GLN  44   1.455 -21.284   3.804
  371    HA   GLN  44           HA       GLN  44   0.104 -22.102   6.043
  372    HB2  GLN  44           HB2      GLN  44  -0.369 -22.280   3.121
  373    HB3  GLN  44           HB1      GLN  44  -1.292 -23.439   4.073
  374    HG2  GLN  44           HG2      GLN  44  -2.257 -21.669   5.413
  375    HG3  GLN  44           HG1      GLN  44  -1.220 -20.464   4.658
  376   HE21  GLN  44          HE21      GLN  44  -2.399 -22.931   2.519
  377   HE22  GLN  44          HE22      GLN  44  -3.609 -22.000   1.777
  378    H    GLY  45           HN       GLY  45   2.029 -24.052   3.853
  379    HA2  GLY  45           HA2      GLY  45   1.206 -26.594   4.781
  380    HA3  GLY  45           HA1      GLY  45   2.723 -26.236   3.959
  381    H    LEU  46           HN       LEU  46   3.572 -24.249   5.879
  382    HA   LEU  46           HA       LEU  46   4.985 -25.938   7.626
  383    HB2  LEU  46           HB2      LEU  46   5.419 -23.434   6.821
  384    HB3  LEU  46           HB1      LEU  46   4.583 -23.042   8.320
  385    HG   LEU  46           HG       LEU  46   6.969 -23.133   8.774
  386   HD11  LEU  46          HD11      LEU  46   5.929 -25.745   9.864
  387   HD12  LEU  46          HD12      LEU  46   5.236 -24.206  10.386
  388   HD13  LEU  46          HD13      LEU  46   6.936 -24.544  10.662
  389   HD21  LEU  46          HD21      LEU  46   7.304 -26.035   8.200
  390   HD22  LEU  46          HD22      LEU  46   8.412 -24.696   7.923
  391   HD23  LEU  46          HD23      LEU  46   7.124 -25.020   6.770
  392    H    MET  47           HN       MET  47   2.152 -23.870   8.130
  393    HA   MET  47           HA       MET  47   1.855 -24.168  10.875
  394    HB2  MET  47           HB2      MET  47  -0.144 -23.812   8.645
  395    HB3  MET  47           HB1      MET  47  -0.645 -23.879  10.334
  396    HG2  MET  47           HG2      MET  47   0.839 -21.989  10.864
  397    HG3  MET  47           HG1      MET  47   1.384 -21.933   9.191
  398    HE1  MET  47           HE1      MET  47  -0.862 -18.838  10.139
  399    HE2  MET  47           HE2      MET  47   0.406 -19.140   8.953
  400    HE3  MET  47           HE3      MET  47   0.622 -19.673  10.619
  401    H    HIS  48           HN       HIS  48   0.858 -26.315   8.255
  402    HA   HIS  48           HA       HIS  48  -0.639 -28.121   9.840
  403    HB2  HIS  48           HB2      HIS  48  -0.800 -28.062   7.391
  404    HB3  HIS  48           HB1      HIS  48   0.868 -28.620   7.264
  405    HD2  HIS  48           HD2      HIS  48   1.046 -31.370   7.151
  406    HE1  HIS  48           HE1      HIS  48  -2.680 -32.292   8.907
  407    HE2  HIS  48           HE2      HIS  48  -0.604 -33.276   7.826
  408    H    GLU  49           HN       GLU  49   2.780 -28.035   8.889
  409    HA   GLU  49           HA       GLU  49   3.393 -30.504  10.264
  410    HB2  GLU  49           HB2      GLU  49   4.623 -29.648   8.227
  411    HB3  GLU  49           HB1      GLU  49   5.327 -28.406   9.262
  412    HG2  GLU  49           HG2      GLU  49   6.895 -30.228   9.180
  413    HG3  GLU  49           HG1      GLU  49   6.146 -30.264  10.772
  414    H    LEU  50           HN       LEU  50   3.316 -27.117  11.018
  415    HA   LEU  50           HA       LEU  50   5.111 -27.084  13.192
  416    HB2  LEU  50           HB2      LEU  50   3.738 -25.161  11.912
  417    HB3  LEU  50           HB1      LEU  50   2.660 -25.364  13.282
  418    HG   LEU  50           HG       LEU  50   5.621 -24.736  13.399
  419   HD11  LEU  50          HD11      LEU  50   4.992 -22.568  14.109
  420   HD12  LEU  50          HD12      LEU  50   3.331 -23.059  14.429
  421   HD13  LEU  50          HD13      LEU  50   3.904 -22.916  12.767
  422   HD21  LEU  50          HD21      LEU  50   3.598 -25.431  15.524
  423   HD22  LEU  50          HD22      LEU  50   4.997 -24.421  15.895
  424   HD23  LEU  50          HD23      LEU  50   5.231 -26.061  15.304
  425    H    MET  51           HN       MET  51   1.628 -27.754  13.009
  426    HA   MET  51           HA       MET  51   1.105 -27.959  15.754
  427    HB2  MET  51           HB2      MET  51  -0.638 -27.927  13.980
  428    HB3  MET  51           HB1      MET  51  -0.159 -29.557  13.511
  429    HG2  MET  51           HG2      MET  51  -0.656 -30.283  15.895
  430    HG3  MET  51           HG1      MET  51  -1.342 -28.682  16.158
  431    HE1  MET  51           HE1      MET  51  -4.391 -28.407  14.087
  432    HE2  MET  51           HE2      MET  51  -2.890 -27.604  14.538
  433    HE3  MET  51           HE3      MET  51  -3.930 -28.276  15.789
  434    H    GLU  52           HN       GLU  52   2.203 -30.397  13.420
  435    HA   GLU  52           HA       GLU  52   2.207 -32.566  15.251
  436    HB2  GLU  52           HB2      GLU  52   2.239 -32.833  12.777
  437    HB3  GLU  52           HB1      GLU  52   3.891 -32.215  12.761
  438    HG2  GLU  52           HG2      GLU  52   4.616 -34.065  14.212
  439    HG3  GLU  52           HG1      GLU  52   2.962 -34.674  14.273
  440    H    LEU  53           HN       LEU  53   4.561 -30.099  14.391
  441    HA   LEU  53           HA       LEU  53   6.830 -31.274  15.566
  442    HB2  LEU  53           HB2      LEU  53   6.912 -29.306  14.065
  443    HB3  LEU  53           HB1      LEU  53   6.152 -28.333  15.321
  444    HG   LEU  53           HG       LEU  53   8.068 -28.826  16.834
  445   HD11  LEU  53          HD11      LEU  53   8.928 -30.473  14.474
  446   HD12  LEU  53          HD12      LEU  53   9.018 -30.848  16.195
  447   HD13  LEU  53          HD13      LEU  53  10.161 -29.717  15.483
  448   HD21  LEU  53          HD21      LEU  53   8.050 -26.794  15.417
  449   HD22  LEU  53          HD22      LEU  53   8.885 -27.683  14.144
  450   HD23  LEU  53          HD23      LEU  53   9.690 -27.385  15.685
  451    H    ILE  54           HN       ILE  54   4.510 -28.914  16.913
  452    HA   ILE  54           HA       ILE  54   5.706 -28.956  19.511
  453    HB   ILE  54           HB       ILE  54   2.898 -28.063  18.840
  454   HG12  ILE  54          HG12      ILE  54   5.571 -26.762  18.310
  455   HG13  ILE  54          HG11      ILE  54   4.160 -26.855  17.275
  456   HG21  ILE  54          HG21      ILE  54   3.739 -28.278  21.265
  457   HG22  ILE  54          HG22      ILE  54   3.072 -26.722  20.799
  458   HG23  ILE  54          HG23      ILE  54   4.818 -26.942  20.892
  459   HD11  ILE  54          HD11      ILE  54   3.001 -25.388  19.080
  460   HD12  ILE  54          HD12      ILE  54   4.166 -24.610  18.014
  461   HD13  ILE  54          HD13      ILE  54   4.639 -25.057  19.649
  462    H    ASP  55           HN       ASP  55   3.367 -30.889  17.864
  463    HA   ASP  55           HA       ASP  55   1.927 -31.919  20.030
  464    HB2  ASP  55           HB2      ASP  55   1.257 -32.218  17.680
  465    HB3  ASP  55           HB1      ASP  55   2.635 -33.291  17.436
  466    H    LEU  56           HN       LEU  56   5.008 -32.822  18.615
  467    HA   LEU  56           HA       LEU  56   5.325 -35.236  20.052
  468    HB2  LEU  56           HB2      LEU  56   7.330 -33.377  18.785
  469    HB3  LEU  56           HB1      LEU  56   7.756 -34.939  19.479
  470    HG   LEU  56           HG       LEU  56   5.661 -34.562  17.322
  471   HD11  LEU  56          HD11      LEU  56   8.528 -35.505  17.025
  472   HD12  LEU  56          HD12      LEU  56   7.935 -33.912  16.556
  473   HD13  LEU  56          HD13      LEU  56   7.333 -35.353  15.736
  474   HD21  LEU  56          HD21      LEU  56   6.374 -37.125  17.066
  475   HD22  LEU  56          HD22      LEU  56   5.162 -36.644  18.243
  476   HD23  LEU  56          HD23      LEU  56   6.822 -36.939  18.760
  477    H    TYR  57           HN       TYR  57   6.366 -31.912  20.699
  478    HA   TYR  57           HA       TYR  57   7.745 -32.608  23.128
  479    HB2  TYR  57           HB2      TYR  57   6.949 -29.997  21.844
  480    HB3  TYR  57           HB1      TYR  57   7.720 -30.058  23.429
  481    HD1  TYR  57           HD1      TYR  57   8.155 -30.694  19.830
  482    HD2  TYR  57           HD2      TYR  57  10.013 -30.804  23.695
  483    HE1  TYR  57           HE1      TYR  57  10.371 -30.957  18.752
  484    HE2  TYR  57           HE2      TYR  57  12.232 -31.065  22.623
  485    HH   TYR  57           HH       TYR  57  13.339 -30.795  20.609
  486    H    GLU  58           HN       GLU  58   4.764 -30.757  22.464
  487    HA   GLU  58           HA       GLU  58   3.887 -30.196  24.972
  488    HB2  GLU  58           HB2      GLU  58   1.754 -29.924  24.083
  489    HB3  GLU  58           HB1      GLU  58   2.734 -29.878  22.626
  490    HG2  GLU  58           HG2      GLU  58   1.053 -31.399  22.042
  491    HG3  GLU  58           HG1      GLU  58   2.343 -32.460  22.567
  492    H    GLU  59           HN       GLU  59   4.335 -33.335  23.658
  493    HA   GLU  59           HA       GLU  59   2.510 -34.705  25.394
  494    HB2  GLU  59           HB2      GLU  59   3.303 -35.637  23.249
  495    HB3  GLU  59           HB1      GLU  59   4.930 -35.756  23.922
  496    HG2  GLU  59           HG2      GLU  59   4.126 -37.270  25.670
  497    HG3  GLU  59           HG1      GLU  59   2.475 -37.111  25.075
  498    H    SER  60           HN       SER  60   6.071 -34.403  25.357
  499    HA   SER  60           HA       SER  60   6.219 -35.403  28.114
  500    HB2  SER  60           HB2      SER  60   8.610 -35.524  27.726
  501    HB3  SER  60           HB1      SER  60   7.750 -36.301  26.400
  502    HG   SER  60           HG       SER  60   9.507 -34.725  25.899
  503    H    GLN  61           HN       GLN  61   6.136 -32.410  26.482
  504    HA   GLN  61           HA       GLN  61   7.877 -30.875  28.095
  505    HB2  GLN  61           HB2      GLN  61   6.231 -30.391  25.884
  506    HB3  GLN  61           HB1      GLN  61   5.561 -29.356  27.124
  507    HG2  GLN  61           HG2      GLN  61   7.920 -28.534  27.552
  508    HG3  GLN  61           HG1      GLN  61   8.399 -29.404  26.093
  509   HE21  GLN  61          HE21      GLN  61   8.461 -26.498  26.414
  510   HE22  GLN  61          HE22      GLN  61   7.389 -25.854  25.267
  511    HA   PRO  62           HA       PRO  62   4.266 -30.078  30.986
  512    HB2  PRO  62           HB2      PRO  62   1.788 -31.073  30.397
  513    HB3  PRO  62           HB1      PRO  62   2.437 -29.606  29.640
  514    HG2  PRO  62           HG2      PRO  62   1.971 -32.230  28.446
  515    HG3  PRO  62           HG1      PRO  62   2.291 -30.673  27.661
  516    HD2  PRO  62           HD2      PRO  62   4.195 -32.864  28.213
  517    HD3  PRO  62           HD1      PRO  62   4.404 -31.420  27.199
  518    H    SER  63           HN       SER  63   5.391 -31.443  32.373
  519    HA   SER  63           HA       SER  63   4.645 -34.226  32.708
  520    HB2  SER  63           HB2      SER  63   6.340 -34.234  34.458
  521    HB3  SER  63           HB1      SER  63   6.991 -33.449  33.023
  522    HG   SER  63           HG       SER  63   6.102 -32.319  35.451
  523    H    SER  64           HN       SER  64   3.412 -31.264  33.662
  524    HA   SER  64           HA       SER  64   2.128 -32.419  36.079
  525    HB2  SER  64           HB2      SER  64   1.976 -30.212  36.997
  526    HB3  SER  64           HB1      SER  64   3.645 -30.455  36.489
  527    HG   SER  64           HG       SER  64   1.929 -28.579  35.720
  528    H    GLU  65           HN       GLU  65   1.293 -32.598  33.238
  529    HA   GLU  65           HA       GLU  65  -0.634 -32.481  32.014
  530    HB2  GLU  65           HB2      GLU  65  -1.802 -31.883  34.738
  531    HB3  GLU  65           HB1      GLU  65  -2.766 -32.155  33.292
  532    HG2  GLU  65           HG2      GLU  65  -1.788 -34.382  33.026
  533    HG3  GLU  65           HG1      GLU  65  -0.747 -34.112  34.423
  534    H    ARG  66           HN       ARG  66   1.039 -30.194  32.125
  535    HA   ARG  66           HA       ARG  66  -0.667 -27.855  32.330
  536    HB2  ARG  66           HB2      ARG  66   1.801 -27.910  32.951
  537    HB3  ARG  66           HB1      ARG  66   2.137 -27.945  31.223
  538    HG2  ARG  66           HG2      ARG  66   0.925 -25.847  30.901
  539    HG3  ARG  66           HG1      ARG  66   0.470 -25.824  32.603
  540    HD2  ARG  66           HD2      ARG  66   2.909 -25.793  33.182
  541    HD3  ARG  66           HD1      ARG  66   3.267 -25.632  31.464
  542    HE   ARG  66           HE       ARG  66   1.441 -23.617  32.132
  543   HH11  ARG  66          HH21      ARG  66   4.651 -24.638  32.908
  544   HH12  ARG  66          HH22      ARG  66   5.238 -23.035  33.205
  545   HH21  ARG  66          HH11      ARG  66   2.199 -21.513  32.517
  546   HH22  ARG  66          HH12      ARG  66   3.848 -21.264  32.981
  547    H    LEU  67           HN       LEU  67   0.048 -30.159  29.941
  548    HA   LEU  67           HA       LEU  67   0.239 -28.896  27.557
  549    HB2  LEU  67           HB2      LEU  67  -1.317 -30.659  26.621
  550    HB3  LEU  67           HB1      LEU  67   0.052 -31.259  27.536
  551    HG   LEU  67           HG       LEU  67  -2.216 -30.760  29.326
  552   HD11  LEU  67          HD11      LEU  67  -3.546 -31.239  27.282
  553   HD12  LEU  67          HD12      LEU  67  -3.728 -32.492  28.510
  554   HD13  LEU  67          HD13      LEU  67  -2.695 -32.774  27.109
  555   HD21  LEU  67          HD21      LEU  67  -0.839 -33.359  28.573
  556   HD22  LEU  67          HD22      LEU  67  -1.750 -33.031  30.046
  557   HD23  LEU  67          HD23      LEU  67  -0.210 -32.214  29.759
  558    H    ASN  68           HN       ASN  68  -2.351 -28.571  29.789
  559    HA   ASN  68           HA       ASN  68  -4.529 -27.899  28.208
  560    HB2  ASN  68           HB2      ASN  68  -4.672 -28.047  30.644
  561    HB3  ASN  68           HB1      ASN  68  -3.620 -26.643  30.811
  562   HD21  ASN  68          HD21      ASN  68  -6.890 -27.615  30.532
  563   HD22  ASN  68          HD22      ASN  68  -7.558 -26.083  30.236
  564    H    ALA  69           HN       ALA  69  -1.718 -25.954  29.137
  565    HA   ALA  69           HA       ALA  69  -2.656 -23.533  27.925
  566    HB1  ALA  69           HB1      ALA  69  -0.879 -23.739  29.742
  567    HB2  ALA  69           HB2      ALA  69  -0.515 -22.639  28.412
  568    HB3  ALA  69           HB3      ALA  69   0.225 -24.238  28.461
  569    H    PHE  70           HN       PHE  70  -0.607 -26.217  26.886
  570    HA   PHE  70           HA       PHE  70   0.380 -25.125  24.502
  571    HB2  PHE  70           HB2      PHE  70   1.414 -27.145  24.983
  572    HB3  PHE  70           HB1      PHE  70  -0.074 -27.885  25.546
  573    HD1  PHE  70           HD1      PHE  70   1.331 -26.438  22.389
  574    HD2  PHE  70           HD2      PHE  70  -1.033 -29.540  24.190
  575    HE1  PHE  70           HE1      PHE  70   0.974 -27.467  20.161
  576    HE2  PHE  70           HE2      PHE  70  -1.377 -30.572  21.964
  577    HZ   PHE  70           HZ       PHE  70  -0.375 -29.533  19.949
  578    H    ARG  71           HN       ARG  71  -2.775 -26.293  25.348
  579    HA   ARG  71           HA       ARG  71  -3.778 -26.876  22.798
  580    HB2  ARG  71           HB2      ARG  71  -5.217 -25.740  25.199
  581    HB3  ARG  71           HB1      ARG  71  -5.999 -26.445  23.786
  582    HG2  ARG  71           HG2      ARG  71  -3.938 -28.025  25.324
  583    HG3  ARG  71           HG1      ARG  71  -5.601 -27.952  25.895
  584    HD2  ARG  71           HD2      ARG  71  -6.368 -28.758  23.668
  585    HD3  ARG  71           HD1      ARG  71  -4.689 -28.903  23.168
  586    HE   ARG  71           HE       ARG  71  -5.459 -30.365  25.582
  587   HH11  ARG  71          HH21      ARG  71  -4.865 -30.349  22.167
  588   HH12  ARG  71          HH22      ARG  71  -4.606 -32.056  22.066
  589   HH21  ARG  71          HH11      ARG  71  -5.128 -32.606  25.450
  590   HH22  ARG  71          HH12      ARG  71  -4.758 -33.335  23.922
  591    H    GLU  72           HN       GLU  72  -3.350 -23.851  24.509
  592    HA   GLU  72           HA       GLU  72  -4.898 -22.191  22.860
  593    HB2  GLU  72           HB2      GLU  72  -2.343 -21.637  24.391
  594    HB3  GLU  72           HB1      GLU  72  -3.320 -20.386  23.621
  595    HG2  GLU  72           HG2      GLU  72  -5.247 -21.001  24.990
  596    HG3  GLU  72           HG1      GLU  72  -4.340 -22.330  25.710
  597    H    LEU  73           HN       LEU  73  -1.474 -23.158  22.653
  598    HA   LEU  73           HA       LEU  73  -0.930 -21.698  20.288
  599    HB2  LEU  73           HB2      LEU  73   0.649 -22.958  22.049
  600    HB3  LEU  73           HB1      LEU  73   0.535 -24.255  20.869
  601    HG   LEU  73           HG       LEU  73   2.480 -22.911  20.330
  602   HD11  LEU  73          HD11      LEU  73   0.818 -23.704  18.492
  603   HD12  LEU  73          HD12      LEU  73   2.049 -22.525  18.044
  604   HD13  LEU  73          HD13      LEU  73   0.398 -21.997  18.356
  605   HD21  LEU  73          HD21      LEU  73   1.135 -20.781  21.434
  606   HD22  LEU  73          HD22      LEU  73   0.958 -20.423  19.724
  607   HD23  LEU  73          HD23      LEU  73   2.564 -20.616  20.418
  608    H    ARG  74           HN       ARG  74  -2.007 -25.003  20.902
  609    HA   ARG  74           HA       ARG  74  -1.924 -25.888  18.222
  610    HB2  ARG  74           HB2      ARG  74  -2.048 -27.414  20.148
  611    HB3  ARG  74           HB1      ARG  74  -3.681 -26.847  20.482
  612    HG2  ARG  74           HG2      ARG  74  -4.475 -27.660  18.359
  613    HG3  ARG  74           HG1      ARG  74  -2.836 -28.078  17.854
  614    HD2  ARG  74           HD2      ARG  74  -2.716 -29.670  19.789
  615    HD3  ARG  74           HD1      ARG  74  -4.414 -29.326  20.117
  616    HE   ARG  74           HE       ARG  74  -4.024 -30.140  17.400
  617   HH11  ARG  74          HH21      ARG  74  -4.217 -31.240  20.673
  618   HH12  ARG  74          HH22      ARG  74  -4.766 -32.828  20.254
  619   HH21  ARG  74          HH11      ARG  74  -4.747 -32.225  16.840
  620   HH22  ARG  74          HH12      ARG  74  -5.068 -33.386  18.085
  621    H    THR  75           HN       THR  75  -4.387 -24.315  20.166
  622    HA   THR  75           HA       THR  75  -6.546 -24.549  18.410
  623    HB   THR  75           HB       THR  75  -5.973 -22.231  20.183
  624    HG1  THR  75           HG1      THR  75  -6.923 -24.817  20.715
  625   HG21  THR  75          HG21      THR  75  -7.858 -22.000  18.610
  626   HG22  THR  75          HG22      THR  75  -8.398 -22.052  20.288
  627   HG23  THR  75          HG23      THR  75  -8.553 -23.481  19.266
  628    H    GLN  76           HN       GLN  76  -4.040 -22.050  18.670
  629    HA   GLN  76           HA       GLN  76  -5.037 -20.345  16.657
  630    HB2  GLN  76           HB2      GLN  76  -2.217 -20.836  17.644
  631    HB3  GLN  76           HB1      GLN  76  -2.656 -19.538  16.532
  632    HG2  GLN  76           HG2      GLN  76  -4.227 -18.628  18.184
  633    HG3  GLN  76           HG1      GLN  76  -3.843 -19.944  19.292
  634   HE21  GLN  76          HE21      GLN  76  -3.316 -17.690  20.524
  635   HE22  GLN  76          HE22      GLN  76  -1.686 -17.232  20.448
  636    H    LEU  77           HN       LEU  77  -2.558 -22.907  16.505
  637    HA   LEU  77           HA       LEU  77  -2.144 -22.730  13.708
  638    HB2  LEU  77           HB2      LEU  77  -1.510 -24.730  15.846
  639    HB3  LEU  77           HB1      LEU  77  -1.361 -25.245  14.170
  640    HG   LEU  77           HG       LEU  77   0.774 -24.308  15.174
  641   HD11  LEU  77          HD11      LEU  77  -0.079 -24.132  12.618
  642   HD12  LEU  77          HD12      LEU  77   1.435 -23.415  13.141
  643   HD13  LEU  77          HD13      LEU  77   0.008 -22.410  12.975
  644   HD21  LEU  77          HD21      LEU  77  -0.482 -21.574  14.895
  645   HD22  LEU  77          HD22      LEU  77   0.938 -22.057  15.818
  646   HD23  LEU  77          HD23      LEU  77  -0.668 -22.474  16.395
  647    H    GLU  78           HN       GLU  78  -4.305 -24.666  15.700
  648    HA   GLU  78           HA       GLU  78  -5.310 -26.305  13.642
  649    HB2  GLU  78           HB2      GLU  78  -5.631 -26.719  16.068
  650    HB3  GLU  78           HB1      GLU  78  -6.731 -25.347  16.137
  651    HG2  GLU  78           HG2      GLU  78  -7.171 -27.615  14.190
  652    HG3  GLU  78           HG1      GLU  78  -7.763 -27.704  15.844
  653    H    LYS  79           HN       LYS  79  -6.514 -23.235  14.993
  654    HA   LYS  79           HA       LYS  79  -8.719 -23.019  13.223
  655    HB2  LYS  79           HB2      LYS  79  -7.237 -21.014  14.922
  656    HB3  LYS  79           HB1      LYS  79  -8.604 -20.557  13.908
  657    HG2  LYS  79           HG2      LYS  79 -10.012 -22.235  15.060
  658    HG3  LYS  79           HG1      LYS  79  -8.645 -22.666  16.089
  659    HD2  LYS  79           HD2      LYS  79  -8.569 -20.408  17.007
  660    HD3  LYS  79           HD1      LYS  79  -9.851 -19.890  15.910
  661    HE2  LYS  79           HE2      LYS  79 -11.402 -21.498  16.956
  662    HE3  LYS  79           HE1      LYS  79 -10.126 -22.020  18.055
  663    HZ1  LYS  79           HZ1      LYS  79 -11.013 -19.201  17.855
  664    HZ2  LYS  79           HZ2      LYS  79 -10.063 -19.914  19.069
  665    HZ3  LYS  79           HZ3      LYS  79 -11.712 -20.303  18.939
  666    H    ALA  80           HN       ALA  80  -5.409 -21.778  13.168
  667    HA   ALA  80           HA       ALA  80  -5.687 -20.223  10.834
  668    HB1  ALA  80           HB1      ALA  80  -3.181 -21.605  11.813
  669    HB2  ALA  80           HB2      ALA  80  -3.773 -20.062  12.433
  670    HB3  ALA  80           HB3      ALA  80  -3.270 -20.201  10.747
  671    H    LEU  81           HN       LEU  81  -4.773 -23.590  11.369
  672    HA   LEU  81           HA       LEU  81  -4.140 -24.183   8.669
  673    HB2  LEU  81           HB2      LEU  81  -3.372 -25.645  10.448
  674    HB3  LEU  81           HB1      LEU  81  -5.034 -25.989  10.928
  675    HG   LEU  81           HG       LEU  81  -5.467 -27.075   8.766
  676   HD11  LEU  81          HD11      LEU  81  -4.168 -25.966   7.163
  677   HD12  LEU  81          HD12      LEU  81  -3.301 -27.490   7.338
  678   HD13  LEU  81          HD13      LEU  81  -2.706 -26.039   8.146
  679   HD21  LEU  81          HD21      LEU  81  -4.653 -28.561  10.442
  680   HD22  LEU  81          HD22      LEU  81  -2.996 -27.987  10.251
  681   HD23  LEU  81          HD23      LEU  81  -3.749 -28.948   8.978
  682    H    GLY  82           HN       GLY  82  -7.106 -24.335  10.563
  683    HA2  GLY  82           HA2      GLY  82  -8.696 -25.698   8.675
  684    HA3  GLY  82           HA1      GLY  82  -9.303 -24.656   9.960
  685    H    LEU  83           HN       LEU  83  -7.713 -22.368   8.977
  686    HA   LEU  83           HA       LEU  83  -8.050 -20.522   7.656
  687    HB2  LEU  83           HB2      LEU  83  -8.524 -22.719   5.630
  688    HB3  LEU  83           HB1      LEU  83  -8.373 -21.019   5.210
  689    HG   LEU  83           HG       LEU  83  -6.238 -22.396   6.845
  690   HD11  LEU  83          HD11      LEU  83  -5.017 -22.738   4.668
  691   HD12  LEU  83          HD12      LEU  83  -6.526 -22.377   3.829
  692   HD13  LEU  83          HD13      LEU  83  -6.418 -23.787   4.884
  693   HD21  LEU  83          HD21      LEU  83  -4.822 -20.657   5.672
  694   HD22  LEU  83          HD22      LEU  83  -6.044 -19.982   6.738
  695   HD23  LEU  83          HD23      LEU  83  -6.303 -19.986   4.996
  696    H    GLU  84           HN       GLU  84 -10.469 -22.372   8.698
  697    HA   GLU  84           HA       GLU  84 -12.638 -21.272   7.106
  698    HB2  GLU  84           HB2      GLU  84 -12.673 -23.581   8.137
  699    HB3  GLU  84           HB1      GLU  84 -12.811 -22.798   9.712
  700    HG2  GLU  84           HG2      GLU  84 -15.046 -23.304   8.998
  701    HG3  GLU  84           HG1      GLU  84 -14.835 -21.566   8.802
  702    H    HIS  85           HN       HIS  85 -13.131 -19.187   7.387
  703    HA   HIS  85           HA       HIS  85 -12.707 -17.874   9.960
  704    HB2  HIS  85           HB2      HIS  85 -12.110 -16.733   7.843
  705    HB3  HIS  85           HB1      HIS  85 -13.806 -16.774   7.362
  706    HD2  HIS  85           HD2      HIS  85 -15.316 -14.675   8.379
  707    HE1  HIS  85           HE1      HIS  85 -12.512 -13.283  11.211
  708    HE2  HIS  85           HE2      HIS  85 -14.765 -12.822  10.135
  709    H    HIS  86           HN       HIS  86 -15.456 -17.897   7.675
  710    HA   HIS  86           HA       HIS  86 -17.317 -18.678   9.736
  711    HB2  HIS  86           HB2      HIS  86 -17.061 -16.327  10.327
  712    HB3  HIS  86           HB1      HIS  86 -17.385 -15.850   8.661
  713    HD2  HIS  86           HD2      HIS  86 -20.084 -15.557   8.075
  714    HE1  HIS  86           HE1      HIS  86 -21.621 -17.383  11.557
  715    HE2  HIS  86           HE2      HIS  86 -22.236 -16.115   9.445
  716    H    HIS  87           HN       HIS  87 -16.487 -17.891   6.490
  717    HA   HIS  87           HA       HIS  87 -19.078 -18.156   5.314
  718    HB2  HIS  87           HB2      HIS  87 -17.178 -17.036   4.172
  719    HB3  HIS  87           HB1      HIS  87 -16.359 -18.594   4.052
  720    HD2  HIS  87           HD2      HIS  87 -17.041 -20.001   1.770
  721    HE1  HIS  87           HE1      HIS  87 -20.604 -17.936   0.844
  722    HE2  HIS  87           HE2      HIS  87 -18.996 -19.737   0.059
  723    H    HIS  88           HN       HIS  88 -20.213 -19.944   4.880
  724    HA   HIS  88           HA       HIS  88 -18.970 -22.567   5.383
  725    HB2  HIS  88           HB2      HIS  88 -21.293 -23.401   5.414
  726    HB3  HIS  88           HB1      HIS  88 -21.054 -22.089   6.569
  727    HD2  HIS  88           HD2      HIS  88 -23.225 -22.882   3.471
  728    HE1  HIS  88           HE1      HIS  88 -23.845 -18.810   4.396
  729    HE2  HIS  88           HE2      HIS  88 -24.661 -20.755   2.984
  730    H    HIS  89           HN       HIS  89 -17.768 -22.604   3.424
  731    HA   HIS  89           HA       HIS  89 -17.434 -22.821   1.132
  732    HB2  HIS  89           HB2      HIS  89 -17.659 -25.081   1.981
  733    HB3  HIS  89           HB1      HIS  89 -19.413 -25.002   1.818
  734    HD2  HIS  89           HD2      HIS  89 -20.292 -25.914  -0.630
  735    HE1  HIS  89           HE1      HIS  89 -16.663 -25.533  -2.754
  736    HE2  HIS  89           HE2      HIS  89 -19.072 -26.322  -2.903
  737    H    HIS  90           HN       HIS  90 -20.758 -24.004   0.948
  738    HA   HIS  90           HA       HIS  90 -21.836 -21.610  -0.200
  739    HB2  HIS  90           HB2      HIS  90 -20.410 -22.265  -2.080
  740    HB3  HIS  90           HB1      HIS  90 -21.144 -23.868  -2.094
  741    HD2  HIS  90           HD2      HIS  90 -23.339 -24.007  -3.768
  742    HE1  HIS  90           HE1      HIS  90 -24.242 -19.886  -3.921
  743    HE2  HIS  90           HE2      HIS  90 -24.887 -22.177  -4.805
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1 -10.162 -17.096  16.987
    2    H2   MET   1           HT2      MET   1  -8.650 -17.792  16.646
    3    H3   MET   1           HT3      MET   1  -8.984 -16.199  16.160
    4    HA   MET   1           HA       MET   1  -8.076 -15.484  18.032
    5    HB2  MET   1           HB2      MET   1 -10.425 -17.011  19.180
    6    HB3  MET   1           HB1      MET   1  -9.396 -15.953  20.145
    7    HG2  MET   1           HG2      MET   1  -9.947 -14.051  18.706
    8    HG3  MET   1           HG1      MET   1 -10.910 -15.096  17.662
    9    HE1  MET   1           HE1      MET   1 -10.886 -15.206  21.805
   10    HE2  MET   1           HE2      MET   1 -11.698 -13.645  21.888
   11    HE3  MET   1           HE3      MET   1 -10.177 -13.793  21.015
   12    H    GLY   2           HN       GLY   2  -6.504 -15.990  19.538
   13    HA2  GLY   2           HA2      GLY   2  -5.105 -17.304  20.844
   14    HA3  GLY   2           HA1      GLY   2  -6.173 -18.675  20.555
   15    H    VAL   3           HN       VAL   3  -5.530 -17.297  17.620
   16    HA   VAL   3           HA       VAL   3  -3.978 -19.473  16.687
   17    HB   VAL   3           HB       VAL   3  -4.469 -16.742  15.478
   18   HG11  VAL   3          HG11      VAL   3  -3.207 -19.258  14.368
   19   HG12  VAL   3          HG12      VAL   3  -2.520 -17.635  14.416
   20   HG13  VAL   3          HG13      VAL   3  -3.868 -17.991  13.336
   21   HG21  VAL   3          HG21      VAL   3  -6.037 -18.158  14.037
   22   HG22  VAL   3          HG22      VAL   3  -6.539 -17.920  15.711
   23   HG23  VAL   3          HG23      VAL   3  -5.805 -19.447  15.220
   24    H    TRP   4           HN       TRP   4  -3.136 -16.131  17.532
   25    HA   TRP   4           HA       TRP   4  -0.316 -16.564  17.001
   26    HB2  TRP   4           HB2      TRP   4  -0.147 -14.218  17.992
   27    HB3  TRP   4           HB1      TRP   4  -1.100 -14.375  16.514
   28    HD1  TRP   4           HD1      TRP   4  -3.805 -14.478  16.823
   29    HE1  TRP   4           HE1      TRP   4  -5.309 -13.381  18.608
   30    HE3  TRP   4           HE3      TRP   4  -0.314 -13.449  20.406
   31    HZ2  TRP   4           HZ2      TRP   4  -5.062 -12.220  21.212
   32    HZ3  TRP   4           HZ3      TRP   4  -0.976 -12.348  22.526
   33    HH2  TRP   4           HH2      TRP   4  -3.343 -11.733  22.933
   34    H    THR   5           HN       THR   5   1.231 -17.026  18.435
   35    HA   THR   5           HA       THR   5   0.845 -16.660  21.284
   36    HB   THR   5           HB       THR   5   1.456 -19.461  20.356
   37    HG1  THR   5           HG1      THR   5  -0.550 -19.266  19.605
   38   HG21  THR   5          HG21      THR   5   0.938 -20.050  22.605
   39   HG22  THR   5          HG22      THR   5   0.192 -18.483  22.916
   40   HG23  THR   5          HG23      THR   5   1.940 -18.602  22.715
   41    HA   PRO   6           HA       PRO   6   5.213 -16.679  19.360
   42    HB2  PRO   6           HB2      PRO   6   5.656 -13.965  19.411
   43    HB3  PRO   6           HB1      PRO   6   4.942 -14.804  18.018
   44    HG2  PRO   6           HG2      PRO   6   3.576 -13.306  20.218
   45    HG3  PRO   6           HG1      PRO   6   3.280 -13.246  18.470
   46    HD2  PRO   6           HD2      PRO   6   1.696 -14.699  20.112
   47    HD3  PRO   6           HD1      PRO   6   2.089 -15.250  18.464
   48    H    GLU   7           HN       GLU   7   7.156 -15.384  20.440
   49    HA   GLU   7           HA       GLU   7   7.530 -16.228  23.013
   50    HB2  GLU   7           HB2      GLU   7   8.642 -13.748  21.685
   51    HB3  GLU   7           HB1      GLU   7   9.237 -14.402  23.212
   52    HG2  GLU   7           HG2      GLU   7   9.772 -16.529  22.117
   53    HG3  GLU   7           HG1      GLU   7   9.135 -15.920  20.591
   54    H    VAL   8           HN       VAL   8   5.461 -13.705  21.972
   55    HA   VAL   8           HA       VAL   8   5.442 -11.924  24.099
   56    HB   VAL   8           HB       VAL   8   4.064 -11.801  21.952
   57   HG11  VAL   8          HG11      VAL   8   3.077 -14.134  22.346
   58   HG12  VAL   8          HG12      VAL   8   1.943 -12.879  21.857
   59   HG13  VAL   8          HG13      VAL   8   2.034 -13.374  23.545
   60   HG21  VAL   8          HG21      VAL   8   2.121 -10.686  23.163
   61   HG22  VAL   8          HG22      VAL   8   3.725 -10.130  23.639
   62   HG23  VAL   8          HG23      VAL   8   2.841 -11.257  24.668
   63    H    LEU   9           HN       LEU   9   3.791 -15.054  23.782
   64    HA   LEU   9           HA       LEU   9   2.389 -14.953  26.230
   65    HB2  LEU   9           HB2      LEU   9   1.848 -16.591  24.483
   66    HB3  LEU   9           HB1      LEU   9   3.423 -17.353  24.692
   67    HG   LEU   9           HG       LEU   9   2.851 -17.959  27.005
   68   HD11  LEU   9          HD11      LEU   9   0.293 -17.632  27.563
   69   HD12  LEU   9          HD12      LEU   9   0.402 -16.313  26.399
   70   HD13  LEU   9          HD13      LEU   9   1.420 -16.306  27.838
   71   HD21  LEU   9          HD21      LEU   9   1.268 -19.681  26.497
   72   HD22  LEU   9          HD22      LEU   9   2.170 -19.393  25.011
   73   HD23  LEU   9          HD23      LEU   9   0.547 -18.730  25.201
   74    H    LYS  10           HN       LYS  10   5.587 -16.198  25.350
   75    HA   LYS  10           HA       LYS  10   6.274 -17.262  27.872
   76    HB2  LYS  10           HB2      LYS  10   7.534 -17.803  25.843
   77    HB3  LYS  10           HB1      LYS  10   8.067 -16.126  25.715
   78    HG2  LYS  10           HG2      LYS  10   9.299 -16.278  27.780
   79    HG3  LYS  10           HG1      LYS  10   8.610 -17.860  28.140
   80    HD2  LYS  10           HD2      LYS  10  10.121 -17.520  25.557
   81    HD3  LYS  10           HD1      LYS  10  11.043 -17.631  27.053
   82    HE2  LYS  10           HE2      LYS  10   8.973 -19.650  26.137
   83    HE3  LYS  10           HE1      LYS  10  10.718 -19.858  26.013
   84    HZ1  LYS  10           HZ1      LYS  10  10.138 -19.103  28.632
   85    HZ2  LYS  10           HZ2      LYS  10  10.727 -20.600  28.082
   86    HZ3  LYS  10           HZ3      LYS  10   9.053 -20.341  28.222
   87    H    ALA  11           HN       ALA  11   6.681 -14.041  26.462
   88    HA   ALA  11           HA       ALA  11   8.231 -12.938  28.545
   89    HB1  ALA  11           HB1      ALA  11   7.928 -11.855  26.345
   90    HB2  ALA  11           HB2      ALA  11   7.513 -10.766  27.669
   91    HB3  ALA  11           HB3      ALA  11   6.236 -11.550  26.740
   92    H    ARG  12           HN       ARG  12   4.734 -13.243  28.086
   93    HA   ARG  12           HA       ARG  12   3.931 -11.656  30.283
   94    HB2  ARG  12           HB2      ARG  12   2.474 -12.517  28.389
   95    HB3  ARG  12           HB1      ARG  12   2.471 -14.073  29.213
   96    HG2  ARG  12           HG2      ARG  12   0.554 -13.146  30.146
   97    HG3  ARG  12           HG1      ARG  12   1.746 -12.581  31.312
   98    HD2  ARG  12           HD2      ARG  12   0.368 -10.696  30.692
   99    HD3  ARG  12           HD1      ARG  12   1.952 -10.465  29.962
  100    HE   ARG  12           HE       ARG  12   0.137 -11.826  28.200
  101   HH11  ARG  12          HH21      ARG  12   1.111  -8.760  29.474
  102   HH12  ARG  12          HH22      ARG  12   0.550  -7.859  28.105
  103   HH21  ARG  12          HH11      ARG  12  -0.602 -10.655  26.405
  104   HH22  ARG  12          HH12      ARG  12  -0.421  -8.933  26.366
  105    H    ALA  13           HN       ALA  13   4.342 -15.193  29.994
  106    HA   ALA  13           HA       ALA  13   3.854 -15.662  32.785
  107    HB1  ALA  13           HB1      ALA  13   4.658 -17.963  32.262
  108    HB2  ALA  13           HB2      ALA  13   5.069 -17.416  30.637
  109    HB3  ALA  13           HB3      ALA  13   3.388 -17.414  31.169
  110    H    SER  14           HN       SER  14   6.739 -15.569  30.734
  111    HA   SER  14           HA       SER  14   8.584 -16.093  32.853
  112    HB2  SER  14           HB2      SER  14   8.985 -16.432  30.355
  113    HB3  SER  14           HB1      SER  14   9.218 -14.688  30.257
  114    HG   SER  14           HG       SER  14  10.571 -16.111  32.249
  115    H    VAL  15           HN       VAL  15   6.897 -13.311  31.751
  116    HA   VAL  15           HA       VAL  15   6.851 -11.135  32.470
  117    HB   VAL  15           HB       VAL  15   8.675 -11.974  34.723
  118   HG11  VAL  15          HG11      VAL  15   6.388  -9.994  34.675
  119   HG12  VAL  15          HG12      VAL  15   8.053  -9.537  34.311
  120   HG13  VAL  15          HG13      VAL  15   7.640 -10.170  35.905
  121   HG21  VAL  15          HG21      VAL  15   6.954 -13.624  34.757
  122   HG22  VAL  15          HG22      VAL  15   5.715 -12.447  34.322
  123   HG23  VAL  15          HG23      VAL  15   6.448 -12.404  35.925
  124    H    ILE  16           HN       ILE  16  10.125 -12.219  33.392
  125    HA   ILE  16           HA       ILE  16  11.284  -9.842  32.175
  126    HB   ILE  16           HB       ILE  16  12.074 -10.735  34.371
  127   HG12  ILE  16          HG12      ILE  16  14.234 -10.906  32.256
  128   HG13  ILE  16          HG11      ILE  16  13.508  -9.377  32.753
  129   HG21  ILE  16          HG21      ILE  16  13.327 -12.952  32.739
  130   HG22  ILE  16          HG22      ILE  16  11.812 -13.160  33.616
  131   HG23  ILE  16          HG23      ILE  16  13.294 -12.785  34.494
  132   HD11  ILE  16          HD11      ILE  16  14.752 -11.325  34.708
  133   HD12  ILE  16          HD12      ILE  16  14.261  -9.661  35.017
  134   HD13  ILE  16          HD13      ILE  16  15.646  -9.992  33.978
  135    H    GLY  17           HN       GLY  17  12.393  -9.773  30.291
  136    HA2  GLY  17           HA2      GLY  17  11.976 -11.581  28.247
  137    HA3  GLY  17           HA1      GLY  17  13.339 -10.463  28.298
  138    H    LYS  18           HN       LYS  18  13.251 -13.213  27.277
  139    HA   LYS  18           HA       LYS  18  15.412 -14.346  28.942
  140    HB2  LYS  18           HB2      LYS  18  12.882 -15.659  27.995
  141    HB3  LYS  18           HB1      LYS  18  14.324 -16.633  28.214
  142    HG2  LYS  18           HG2      LYS  18  13.388 -14.768  30.399
  143    HG3  LYS  18           HG1      LYS  18  12.668 -16.366  30.220
  144    HD2  LYS  18           HD2      LYS  18  15.039 -17.313  30.287
  145    HD3  LYS  18           HD1      LYS  18  15.572 -15.707  30.781
  146    HE2  LYS  18           HE2      LYS  18  13.996 -15.794  32.693
  147    HE3  LYS  18           HE1      LYS  18  13.539 -17.430  32.216
  148    HZ1  LYS  18           HZ1      LYS  18  15.238 -18.131  33.432
  149    HZ2  LYS  18           HZ2      LYS  18  15.817 -16.553  33.673
  150    HZ3  LYS  18           HZ3      LYS  18  16.286 -17.432  32.297
  151    HA   PRO  19           HA       PRO  19  17.604 -14.750  25.130
  152    HB2  PRO  19           HB2      PRO  19  18.990 -17.111  25.540
  153    HB3  PRO  19           HB1      PRO  19  19.447 -15.553  26.258
  154    HG2  PRO  19           HG2      PRO  19  17.901 -17.808  27.462
  155    HG3  PRO  19           HG1      PRO  19  19.178 -16.809  28.180
  156    HD2  PRO  19           HD2      PRO  19  16.576 -16.368  28.742
  157    HD3  PRO  19           HD1      PRO  19  17.730 -15.022  28.600
  158    H    ILE  20           HN       ILE  20  17.507 -15.759  23.118
  159    HA   ILE  20           HA       ILE  20  15.233 -17.519  22.718
  160    HB   ILE  20           HB       ILE  20  15.452 -15.727  21.185
  161   HG12  ILE  20          HG12      ILE  20  15.099 -18.320  20.384
  162   HG13  ILE  20          HG11      ILE  20  14.965 -16.945  19.299
  163   HG21  ILE  20          HG21      ILE  20  18.296 -16.684  20.807
  164   HG22  ILE  20          HG22      ILE  20  17.746 -15.133  21.425
  165   HG23  ILE  20          HG23      ILE  20  17.518 -15.533  19.727
  166   HD11  ILE  20          HD11      ILE  20  17.195 -17.285  18.450
  167   HD12  ILE  20          HD12      ILE  20  16.407 -18.859  18.447
  168   HD13  ILE  20          HD13      ILE  20  17.567 -18.460  19.706
  169    H    GLY  21           HN       GLY  21  15.291 -19.635  22.282
  170    HA2  GLY  21           HA2      GLY  21  17.835 -21.043  22.492
  171    HA3  GLY  21           HA1      GLY  21  16.234 -21.770  22.477
  172    H    GLU  22           HN       GLU  22  18.587 -22.529  20.918
  173    HA   GLU  22           HA       GLU  22  18.507 -21.653  18.260
  174    HB2  GLU  22           HB2      GLU  22  20.213 -23.170  19.446
  175    HB3  GLU  22           HB1      GLU  22  19.122 -24.493  19.055
  176    HG2  GLU  22           HG2      GLU  22  19.253 -23.822  16.637
  177    HG3  GLU  22           HG1      GLU  22  20.423 -22.589  17.081
  178    H    SER  23           HN       SER  23  18.093 -24.786  17.618
  179    HA   SER  23           HA       SER  23  15.571 -24.423  16.342
  180    HB2  SER  23           HB2      SER  23  17.327 -25.906  15.444
  181    HB3  SER  23           HB1      SER  23  17.123 -26.972  16.831
  182    HG   SER  23           HG       SER  23  15.529 -27.827  15.779
  183    H    TYR  24           HN       TYR  24  16.540 -25.507  19.466
  184    HA   TYR  24           HA       TYR  24  14.389 -27.209  20.116
  185    HB2  TYR  24           HB2      TYR  24  16.383 -27.079  21.510
  186    HB3  TYR  24           HB1      TYR  24  16.034 -25.393  21.893
  187    HD1  TYR  24           HD1      TYR  24  14.698 -28.856  22.185
  188    HD2  TYR  24           HD2      TYR  24  14.534 -24.820  23.647
  189    HE1  TYR  24           HE1      TYR  24  13.231 -29.589  24.044
  190    HE2  TYR  24           HE2      TYR  24  13.066 -25.554  25.508
  191    HH   TYR  24           HH       TYR  24  12.518 -27.579  26.727
  192    H    LYS  25           HN       LYS  25  14.821 -23.718  20.696
  193    HA   LYS  25           HA       LYS  25  12.089 -23.425  21.639
  194    HB2  LYS  25           HB2      LYS  25  13.948 -22.106  22.604
  195    HB3  LYS  25           HB1      LYS  25  14.161 -21.302  21.048
  196    HG2  LYS  25           HG2      LYS  25  11.844 -20.456  21.157
  197    HG3  LYS  25           HG1      LYS  25  11.608 -21.286  22.695
  198    HD2  LYS  25           HD2      LYS  25  13.433 -19.933  23.689
  199    HD3  LYS  25           HD1      LYS  25  13.619 -19.091  22.150
  200    HE2  LYS  25           HE2      LYS  25  11.310 -18.279  22.286
  201    HE3  LYS  25           HE1      LYS  25  11.087 -19.138  23.810
  202    HZ1  LYS  25           HZ1      LYS  25  13.287 -17.203  23.489
  203    HZ2  LYS  25           HZ2      LYS  25  12.530 -17.735  24.915
  204    HZ3  LYS  25           HZ3      LYS  25  11.724 -16.666  23.869
  205    H    ARG  26           HN       ARG  26  13.850 -22.997  18.667
  206    HA   ARG  26           HA       ARG  26  12.444 -21.156  17.242
  207    HB2  ARG  26           HB2      ARG  26  14.347 -22.458  16.355
  208    HB3  ARG  26           HB1      ARG  26  13.304 -23.876  16.220
  209    HG2  ARG  26           HG2      ARG  26  11.838 -22.639  14.655
  210    HG3  ARG  26           HG1      ARG  26  12.893 -21.231  14.786
  211    HD2  ARG  26           HD2      ARG  26  13.813 -23.958  13.845
  212    HD3  ARG  26           HD1      ARG  26  13.339 -22.654  12.761
  213    HE   ARG  26           HE       ARG  26  15.298 -21.676  14.541
  214   HH11  ARG  26          HH21      ARG  26  14.893 -23.925  11.940
  215   HH12  ARG  26          HH22      ARG  26  16.528 -23.787  11.383
  216   HH21  ARG  26          HH11      ARG  26  17.444 -21.492  13.816
  217   HH22  ARG  26          HH12      ARG  26  17.971 -22.411  12.445
  218    H    ILE  27           HN       ILE  27  11.310 -24.171  18.473
  219    HA   ILE  27           HA       ILE  27   9.131 -24.533  16.721
  220    HB   ILE  27           HB       ILE  27   9.997 -26.294  18.255
  221   HG12  ILE  27          HG12      ILE  27   7.097 -25.664  18.851
  222   HG13  ILE  27          HG11      ILE  27   7.634 -26.251  17.276
  223   HG21  ILE  27          HG21      ILE  27   8.481 -24.875  20.449
  224   HG22  ILE  27          HG22      ILE  27  10.201 -24.585  20.188
  225   HG23  ILE  27          HG23      ILE  27   9.632 -26.204  20.592
  226   HD11  ILE  27          HD11      ILE  27   8.496 -28.286  18.252
  227   HD12  ILE  27          HD12      ILE  27   6.848 -28.068  18.842
  228   HD13  ILE  27          HD13      ILE  27   8.218 -27.677  19.883
  229    H    LEU  28           HN       LEU  28   9.455 -22.939  19.868
  230    HA   LEU  28           HA       LEU  28   6.746 -22.121  20.066
  231    HB2  LEU  28           HB2      LEU  28   8.177 -22.232  22.034
  232    HB3  LEU  28           HB1      LEU  28   9.248 -21.008  21.359
  233    HG   LEU  28           HG       LEU  28   7.454 -19.340  21.441
  234   HD11  LEU  28          HD11      LEU  28   5.440 -20.480  21.058
  235   HD12  LEU  28          HD12      LEU  28   5.333 -20.121  22.779
  236   HD13  LEU  28          HD13      LEU  28   5.806 -21.734  22.241
  237   HD21  LEU  28          HD21      LEU  28   7.966 -20.920  23.966
  238   HD22  LEU  28          HD22      LEU  28   7.065 -19.404  23.975
  239   HD23  LEU  28          HD23      LEU  28   8.744 -19.429  23.434
  240    H    ALA  29           HN       ALA  29   9.683 -20.529  18.891
  241    HA   ALA  29           HA       ALA  29   8.418 -18.037  18.308
  242    HB1  ALA  29           HB1      ALA  29  10.509 -17.622  16.970
  243    HB2  ALA  29           HB2      ALA  29  11.024 -19.256  17.387
  244    HB3  ALA  29           HB3      ALA  29  10.792 -18.054  18.657
  245    H    LYS  30           HN       LYS  30   8.499 -21.074  16.760
  246    HA   LYS  30           HA       LYS  30   8.385 -20.490  14.060
  247    HB2  LYS  30           HB2      LYS  30   8.276 -22.782  15.243
  248    HB3  LYS  30           HB1      LYS  30   6.539 -22.513  15.323
  249    HG2  LYS  30           HG2      LYS  30   6.691 -23.625  13.283
  250    HG3  LYS  30           HG1      LYS  30   6.824 -21.959  12.735
  251    HD2  LYS  30           HD2      LYS  30   9.277 -22.150  12.713
  252    HD3  LYS  30           HD1      LYS  30   9.163 -23.802  13.317
  253    HE2  LYS  30           HE2      LYS  30   7.905 -24.456  11.300
  254    HE3  LYS  30           HE1      LYS  30   8.018 -22.803  10.694
  255    HZ1  LYS  30           HZ1      LYS  30  10.143 -24.814  11.009
  256    HZ2  LYS  30           HZ2      LYS  30  10.536 -23.162  11.053
  257    HZ3  LYS  30           HZ3      LYS  30   9.792 -23.824   9.677
  258    H    LEU  31           HN       LEU  31   5.987 -19.976  16.538
  259    HA   LEU  31           HA       LEU  31   3.696 -19.653  14.951
  260    HB2  LEU  31           HB2      LEU  31   4.557 -18.583  17.627
  261    HB3  LEU  31           HB1      LEU  31   3.057 -18.014  16.904
  262    HG   LEU  31           HG       LEU  31   2.764 -19.969  18.445
  263   HD11  LEU  31          HD11      LEU  31   1.034 -20.823  17.182
  264   HD12  LEU  31          HD12      LEU  31   2.028 -21.051  15.752
  265   HD13  LEU  31          HD13      LEU  31   1.412 -19.451  16.154
  266   HD21  LEU  31          HD21      LEU  31   4.127 -21.581  16.273
  267   HD22  LEU  31          HD22      LEU  31   3.632 -22.124  17.875
  268   HD23  LEU  31          HD23      LEU  31   4.986 -21.010  17.703
  269    H    GLN  32           HN       GLN  32   6.281 -17.402  15.800
  270    HA   GLN  32           HA       GLN  32   5.201 -15.015  14.907
  271    HB2  GLN  32           HB2      GLN  32   7.390 -15.170  16.007
  272    HB3  GLN  32           HB1      GLN  32   8.051 -15.999  14.601
  273    HG2  GLN  32           HG2      GLN  32   6.743 -13.297  14.289
  274    HG3  GLN  32           HG1      GLN  32   8.413 -13.415  14.836
  275   HE21  GLN  32          HE21      GLN  32   9.806 -14.973  13.348
  276   HE22  GLN  32          HE22      GLN  32   9.548 -14.806  11.678
  277    H    ARG  33           HN       ARG  33   6.725 -17.619  13.044
  278    HA   ARG  33           HA       ARG  33   6.627 -16.268  10.533
  279    HB2  ARG  33           HB2      ARG  33   8.059 -18.299  11.135
  280    HB3  ARG  33           HB1      ARG  33   6.597 -19.263  10.918
  281    HG2  ARG  33           HG2      ARG  33   6.362 -18.415   8.619
  282    HG3  ARG  33           HG1      ARG  33   7.806 -17.425   8.829
  283    HD2  ARG  33           HD2      ARG  33   9.073 -19.557   9.341
  284    HD3  ARG  33           HD1      ARG  33   7.634 -20.445   8.852
  285    HE   ARG  33           HE       ARG  33   8.045 -19.837   6.621
  286   HH11  ARG  33          HH21      ARG  33  10.150 -18.214   8.840
  287   HH12  ARG  33          HH22      ARG  33  11.234 -17.648   7.616
  288   HH21  ARG  33          HH11      ARG  33   9.468 -19.085   5.004
  289   HH22  ARG  33          HH12      ARG  33  10.849 -18.141   5.449
  290    H    ILE  34           HN       ILE  34   4.484 -18.535  12.204
  291    HA   ILE  34           HA       ILE  34   2.612 -18.895  10.115
  292    HB   ILE  34           HB       ILE  34   2.092 -18.975  13.093
  293   HG12  ILE  34          HG12      ILE  34   3.973 -20.425  12.557
  294   HG13  ILE  34          HG11      ILE  34   2.556 -21.418  12.858
  295   HG21  ILE  34          HG21      ILE  34   0.017 -19.013  11.933
  296   HG22  ILE  34          HG22      ILE  34   0.378 -20.699  12.303
  297   HG23  ILE  34          HG23      ILE  34   0.653 -20.074  10.676
  298   HD11  ILE  34          HD11      ILE  34   3.432 -22.376  10.911
  299   HD12  ILE  34          HD12      ILE  34   3.930 -20.820  10.252
  300   HD13  ILE  34          HD13      ILE  34   2.227 -21.267  10.256
  301    H    HIS  35           HN       HIS  35   2.794 -16.546  12.779
  302    HA   HIS  35           HA       HIS  35   0.385 -15.274  12.640
  303    HB2  HIS  35           HB2      HIS  35   2.212 -14.609  14.164
  304    HB3  HIS  35           HB1      HIS  35   3.082 -13.903  12.802
  305    HD2  HIS  35           HD2      HIS  35   2.472 -11.239  12.454
  306    HE1  HIS  35           HE1      HIS  35  -1.275 -11.215  14.399
  307    HE2  HIS  35           HE2      HIS  35   0.454  -9.772  13.225
  308    H    ASN  36           HN       ASN  36   3.206 -14.184  10.725
  309    HA   ASN  36           HA       ASN  36   1.664 -12.529   9.005
  310    HB2  ASN  36           HB2      ASN  36   4.444 -13.684   8.763
  311    HB3  ASN  36           HB1      ASN  36   3.757 -12.566   7.586
  312   HD21  ASN  36          HD21      ASN  36   2.276 -10.953   9.562
  313   HD22  ASN  36          HD22      ASN  36   3.438 -10.088  10.445
  314    H    SER  37           HN       SER  37   2.897 -15.832   8.712
  315    HA   SER  37           HA       SER  37   1.789 -16.162   6.046
  316    HB2  SER  37           HB2      SER  37   3.981 -17.194   7.030
  317    HB3  SER  37           HB1      SER  37   2.898 -18.409   7.699
  318    HG   SER  37           HG       SER  37   2.829 -17.607   4.984
  319    H    ASN  38           HN       ASN  38   0.116 -15.728   8.580
  320    HA   ASN  38           HA       ASN  38  -1.237 -17.918   9.470
  321    HB2  ASN  38           HB2      ASN  38  -1.743 -15.618  10.184
  322    HB3  ASN  38           HB1      ASN  38  -2.499 -15.297   8.626
  323   HD21  ASN  38          HD21      ASN  38  -2.715 -17.880  11.150
  324   HD22  ASN  38          HD22      ASN  38  -4.412 -17.935  11.142
  325    H    ILE  39           HN       ILE  39  -2.185 -19.559   8.513
  326    HA   ILE  39           HA       ILE  39  -3.038 -20.877   6.830
  327    HB   ILE  39           HB       ILE  39  -4.920 -18.585   6.358
  328   HG12  ILE  39          HG12      ILE  39  -4.675 -18.706   8.752
  329   HG13  ILE  39          HG11      ILE  39  -6.167 -19.522   8.324
  330   HG21  ILE  39          HG21      ILE  39  -5.202 -20.621   4.991
  331   HG22  ILE  39          HG22      ILE  39  -6.537 -20.450   6.133
  332   HG23  ILE  39          HG23      ILE  39  -5.240 -21.604   6.456
  333   HD11  ILE  39          HD11      ILE  39  -3.541 -20.772   9.101
  334   HD12  ILE  39          HD12      ILE  39  -4.822 -21.693   8.315
  335   HD13  ILE  39          HD13      ILE  39  -5.107 -20.955   9.889
  336    H    LEU  40           HN       LEU  40  -0.862 -20.088   5.715
  337    HA   LEU  40           HA       LEU  40  -1.499 -18.683   3.187
  338    HB2  LEU  40           HB2      LEU  40   0.377 -17.803   4.621
  339    HB3  LEU  40           HB1      LEU  40   1.228 -19.320   4.344
  340    HG   LEU  40           HG       LEU  40   1.090 -18.899   1.881
  341   HD11  LEU  40          HD11      LEU  40  -0.665 -17.447   1.433
  342   HD12  LEU  40          HD12      LEU  40   0.665 -16.295   1.437
  343   HD13  LEU  40          HD13      LEU  40  -0.361 -16.460   2.860
  344   HD21  LEU  40          HD21      LEU  40   2.379 -16.619   3.407
  345   HD22  LEU  40          HD22      LEU  40   2.877 -17.266   1.843
  346   HD23  LEU  40          HD23      LEU  40   3.063 -18.240   3.299
  347    H    ASP  41           HN       ASP  41  -1.573 -19.803   1.349
  348    HA   ASP  41           HA       ASP  41  -1.687 -22.496   1.085
  349    HB2  ASP  41           HB2      ASP  41  -2.208 -20.899  -0.719
  350    HB3  ASP  41           HB1      ASP  41  -0.484 -20.628  -0.960
  351    H    GLU  42           HN       GLU  42   1.193 -20.636   1.538
  352    HA   GLU  42           HA       GLU  42   2.992 -22.740   0.666
  353    HB2  GLU  42           HB2      GLU  42   3.488 -20.285   0.472
  354    HB3  GLU  42           HB1      GLU  42   3.634 -20.238   2.228
  355    HG2  GLU  42           HG2      GLU  42   5.429 -21.901   2.154
  356    HG3  GLU  42           HG1      GLU  42   5.252 -22.042   0.406
  357    H    ARG  43           HN       ARG  43   2.369 -21.122   3.803
  358    HA   ARG  43           HA       ARG  43   3.771 -23.172   5.269
  359    HB2  ARG  43           HB2      ARG  43   2.491 -20.574   5.890
  360    HB3  ARG  43           HB1      ARG  43   2.360 -21.756   7.185
  361    HG2  ARG  43           HG2      ARG  43   4.389 -20.473   7.509
  362    HG3  ARG  43           HG1      ARG  43   4.836 -22.112   7.048
  363    HD2  ARG  43           HD2      ARG  43   4.950 -21.238   4.639
  364    HD3  ARG  43           HD1      ARG  43   4.862 -19.625   5.331
  365    HE   ARG  43           HE       ARG  43   6.898 -20.689   6.729
  366   HH11  ARG  43          HH21      ARG  43   6.108 -20.694   3.364
  367   HH12  ARG  43          HH22      ARG  43   7.755 -20.773   2.834
  368   HH21  ARG  43          HH11      ARG  43   9.062 -20.799   6.047
  369   HH22  ARG  43          HH12      ARG  43   9.430 -20.831   4.354
  370    H    GLN  44           HN       GLN  44   0.572 -22.790   4.117
  371    HA   GLN  44           HA       GLN  44  -1.062 -24.007   5.931
  372    HB2  GLN  44           HB2      GLN  44  -0.940 -23.979   2.951
  373    HB3  GLN  44           HB1      GLN  44  -1.980 -25.207   3.668
  374    HG2  GLN  44           HG2      GLN  44  -3.168 -23.467   4.942
  375    HG3  GLN  44           HG1      GLN  44  -2.121 -22.234   4.246
  376   HE21  GLN  44          HE21      GLN  44  -3.977 -25.027   2.897
  377   HE22  GLN  44          HE22      GLN  44  -4.702 -24.125   1.655
  378    H    GLY  45           HN       GLY  45   1.347 -25.568   3.866
  379    HA2  GLY  45           HA2      GLY  45   0.643 -28.239   4.572
  380    HA3  GLY  45           HA1      GLY  45   2.157 -27.724   3.832
  381    H    LEU  46           HN       LEU  46   3.078 -25.919   5.724
  382    HA   LEU  46           HA       LEU  46   4.286 -27.643   7.601
  383    HB2  LEU  46           HB2      LEU  46   5.012 -25.272   6.666
  384    HB3  LEU  46           HB1      LEU  46   4.157 -24.679   8.085
  385    HG   LEU  46           HG       LEU  46   6.408 -26.719   8.102
  386   HD11  LEU  46          HD11      LEU  46   7.790 -24.982   9.002
  387   HD12  LEU  46          HD12      LEU  46   6.417 -23.889   9.173
  388   HD13  LEU  46          HD13      LEU  46   7.010 -24.313   7.568
  389   HD21  LEU  46          HD21      LEU  46   6.256 -26.024  10.659
  390   HD22  LEU  46          HD22      LEU  46   5.203 -27.274  10.014
  391   HD23  LEU  46          HD23      LEU  46   4.586 -25.637  10.238
  392    H    MET  47           HN       MET  47   1.613 -25.338   7.846
  393    HA   MET  47           HA       MET  47   1.175 -25.334  10.580
  394    HB2  MET  47           HB2      MET  47  -0.058 -23.914   8.980
  395    HB3  MET  47           HB1      MET  47  -0.924 -25.335   8.395
  396    HG2  MET  47           HG2      MET  47  -2.041 -25.642  10.466
  397    HG3  MET  47           HG1      MET  47  -0.939 -24.554  11.308
  398    HE1  MET  47           HE1      MET  47  -1.673 -22.436  12.057
  399    HE2  MET  47           HE2      MET  47  -2.210 -21.164  10.967
  400    HE3  MET  47           HE3      MET  47  -0.688 -21.994  10.659
  401    H    HIS  48           HN       HIS  48  -0.034 -27.652   8.161
  402    HA   HIS  48           HA       HIS  48  -1.480 -29.256  10.010
  403    HB2  HIS  48           HB2      HIS  48  -1.902 -29.343   7.598
  404    HB3  HIS  48           HB1      HIS  48  -0.284 -29.991   7.329
  405    HD2  HIS  48           HD2      HIS  48  -1.553 -32.445   6.417
  406    HE1  HIS  48           HE1      HIS  48  -2.820 -33.598  10.276
  407    HE2  HIS  48           HE2      HIS  48  -2.519 -34.381   7.879
  408    H    GLU  49           HN       GLU  49   1.803 -29.468   8.676
  409    HA   GLU  49           HA       GLU  49   2.476 -31.893  10.023
  410    HB2  GLU  49           HB2      GLU  49   3.661 -31.081   8.000
  411    HB3  GLU  49           HB1      GLU  49   4.318 -29.745   8.948
  412    HG2  GLU  49           HG2      GLU  49   5.442 -31.318  10.446
  413    HG3  GLU  49           HG1      GLU  49   4.730 -32.681   9.585
  414    H    LEU  50           HN       LEU  50   2.422 -28.551  10.923
  415    HA   LEU  50           HA       LEU  50   4.298 -28.576  13.022
  416    HB2  LEU  50           HB2      LEU  50   3.017 -26.579  11.917
  417    HB3  LEU  50           HB1      LEU  50   1.787 -26.915  13.130
  418    HG   LEU  50           HG       LEU  50   3.857 -26.885  14.794
  419   HD11  LEU  50          HD11      LEU  50   5.426 -26.604  12.764
  420   HD12  LEU  50          HD12      LEU  50   5.693 -25.543  14.141
  421   HD13  LEU  50          HD13      LEU  50   4.852 -24.939  12.711
  422   HD21  LEU  50          HD21      LEU  50   3.586 -24.293  14.879
  423   HD22  LEU  50          HD22      LEU  50   2.164 -25.290  15.160
  424   HD23  LEU  50          HD23      LEU  50   2.408 -24.529  13.587
  425    H    MET  51           HN       MET  51   0.933 -29.559  12.851
  426    HA   MET  51           HA       MET  51   0.365 -29.779  15.590
  427    HB2  MET  51           HB2      MET  51  -1.335 -29.985  13.803
  428    HB3  MET  51           HB1      MET  51  -0.631 -31.529  13.325
  429    HG2  MET  51           HG2      MET  51  -1.135 -32.475  15.524
  430    HG3  MET  51           HG1      MET  51  -1.754 -30.918  16.076
  431    HE1  MET  51           HE1      MET  51  -2.988 -34.356  14.542
  432    HE2  MET  51           HE2      MET  51  -1.777 -33.565  13.535
  433    HE3  MET  51           HE3      MET  51  -3.424 -33.750  12.939
  434    H    GLU  52           HN       GLU  52   1.860 -32.084  13.337
  435    HA   GLU  52           HA       GLU  52   2.093 -34.202  15.226
  436    HB2  GLU  52           HB2      GLU  52   3.594 -33.604  12.670
  437    HB3  GLU  52           HB1      GLU  52   3.796 -35.089  13.604
  438    HG2  GLU  52           HG2      GLU  52   1.424 -35.616  13.341
  439    HG3  GLU  52           HG1      GLU  52   1.157 -34.096  12.489
  440    H    LEU  53           HN       LEU  53   4.288 -31.612  14.178
  441    HA   LEU  53           HA       LEU  53   6.532 -32.434  15.682
  442    HB2  LEU  53           HB2      LEU  53   6.729 -30.795  13.882
  443    HB3  LEU  53           HB1      LEU  53   5.713 -29.663  14.770
  444    HG   LEU  53           HG       LEU  53   7.385 -29.509  16.557
  445   HD11  LEU  53          HD11      LEU  53   8.706 -31.708  14.974
  446   HD12  LEU  53          HD12      LEU  53   8.439 -31.596  16.715
  447   HD13  LEU  53          HD13      LEU  53   9.692 -30.622  15.955
  448   HD21  LEU  53          HD21      LEU  53   8.493 -29.169  13.757
  449   HD22  LEU  53          HD22      LEU  53   9.256 -28.511  15.205
  450   HD23  LEU  53          HD23      LEU  53   7.653 -27.956  14.725
  451    H    ILE  54           HN       ILE  54   3.850 -30.241  16.432
  452    HA   ILE  54           HA       ILE  54   4.793 -29.384  18.938
  453    HB   ILE  54           HB       ILE  54   2.000 -29.584  17.831
  454   HG12  ILE  54          HG12      ILE  54   3.803 -27.964  16.876
  455   HG13  ILE  54          HG11      ILE  54   2.231 -27.325  17.282
  456   HG21  ILE  54          HG21      ILE  54   1.647 -29.620  20.169
  457   HG22  ILE  54          HG22      ILE  54   1.526 -27.911  19.748
  458   HG23  ILE  54          HG23      ILE  54   3.004 -28.536  20.479
  459   HD11  ILE  54          HD11      ILE  54   4.390 -26.050  18.074
  460   HD12  ILE  54          HD12      ILE  54   4.378 -27.235  19.374
  461   HD13  ILE  54          HD13      ILE  54   2.999 -26.170  19.142
  462    H    ASP  55           HN       ASP  55   2.775 -32.122  17.985
  463    HA   ASP  55           HA       ASP  55   2.004 -33.014  20.498
  464    HB2  ASP  55           HB2      ASP  55   1.102 -33.910  18.393
  465    HB3  ASP  55           HB1      ASP  55   2.654 -34.680  18.064
  466    H    LEU  56           HN       LEU  56   4.980 -33.541  18.690
  467    HA   LEU  56           HA       LEU  56   6.074 -35.508  20.374
  468    HB2  LEU  56           HB2      LEU  56   7.393 -33.463  18.592
  469    HB3  LEU  56           HB1      LEU  56   8.265 -34.769  19.390
  470    HG   LEU  56           HG       LEU  56   5.902 -35.198  17.535
  471   HD11  LEU  56          HD11      LEU  56   7.978 -34.179  16.460
  472   HD12  LEU  56          HD12      LEU  56   7.459 -35.726  15.794
  473   HD13  LEU  56          HD13      LEU  56   8.826 -35.661  16.907
  474   HD21  LEU  56          HD21      LEU  56   7.761 -37.004  19.068
  475   HD22  LEU  56          HD22      LEU  56   7.174 -37.547  17.499
  476   HD23  LEU  56          HD23      LEU  56   6.030 -37.166  18.781
  477    H    TYR  57           HN       TYR  57   6.332 -31.969  20.419
  478    HA   TYR  57           HA       TYR  57   8.051 -31.979  22.754
  479    HB2  TYR  57           HB2      TYR  57   6.751 -29.839  21.077
  480    HB3  TYR  57           HB1      TYR  57   7.505 -29.434  22.619
  481    HD1  TYR  57           HD1      TYR  57   8.135 -31.009  19.298
  482    HD2  TYR  57           HD2      TYR  57   9.868 -29.309  22.840
  483    HE1  TYR  57           HE1      TYR  57  10.369 -31.050  18.224
  484    HE2  TYR  57           HE2      TYR  57  12.102 -29.349  21.765
  485    HH   TYR  57           HH       TYR  57  12.518 -29.959  18.412
  486    H    GLU  58           HN       GLU  58   4.768 -30.700  22.120
  487    HA   GLU  58           HA       GLU  58   4.022 -29.949  24.624
  488    HB2  GLU  58           HB2      GLU  58   1.868 -29.889  23.829
  489    HB3  GLU  58           HB1      GLU  58   2.673 -30.183  22.293
  490    HG2  GLU  58           HG2      GLU  58   2.347 -32.672  22.736
  491    HG3  GLU  58           HG1      GLU  58   1.312 -32.212  24.083
  492    H    GLU  59           HN       GLU  59   4.761 -33.141  23.615
  493    HA   GLU  59           HA       GLU  59   3.282 -34.495  25.671
  494    HB2  GLU  59           HB2      GLU  59   4.043 -35.545  23.523
  495    HB3  GLU  59           HB1      GLU  59   5.690 -35.495  24.147
  496    HG2  GLU  59           HG2      GLU  59   4.806 -37.679  24.637
  497    HG3  GLU  59           HG1      GLU  59   4.871 -36.790  26.157
  498    H    SER  60           HN       SER  60   6.750 -33.736  25.241
  499    HA   SER  60           HA       SER  60   7.298 -34.409  28.042
  500    HB2  SER  60           HB2      SER  60   9.634 -34.181  27.416
  501    HB3  SER  60           HB1      SER  60   8.795 -35.216  26.265
  502    HG   SER  60           HG       SER  60   8.775 -33.579  24.805
  503    H    GLN  61           HN       GLN  61   6.590 -31.614  26.204
  504    HA   GLN  61           HA       GLN  61   8.187 -29.694  27.531
  505    HB2  GLN  61           HB2      GLN  61   6.365 -29.679  25.413
  506    HB3  GLN  61           HB1      GLN  61   5.603 -28.643  26.607
  507    HG2  GLN  61           HG2      GLN  61   8.416 -28.361  25.513
  508    HG3  GLN  61           HG1      GLN  61   7.043 -27.321  25.139
  509   HE21  GLN  61          HE21      GLN  61   9.706 -26.785  26.614
  510   HE22  GLN  61          HE22      GLN  61   9.221 -26.054  28.067
  511    HA   PRO  62           HA       PRO  62   4.740 -29.212  30.697
  512    HB2  PRO  62           HB2      PRO  62   2.404 -30.558  30.396
  513    HB3  PRO  62           HB1      PRO  62   2.797 -29.126  29.424
  514    HG2  PRO  62           HG2      PRO  62   2.654 -31.941  28.600
  515    HG3  PRO  62           HG1      PRO  62   2.617 -30.467  27.611
  516    HD2  PRO  62           HD2      PRO  62   4.914 -32.213  28.188
  517    HD3  PRO  62           HD1      PRO  62   4.796 -30.872  27.028
  518    H    SER  63           HN       SER  63   6.167 -30.296  32.056
  519    HA   SER  63           HA       SER  63   5.901 -33.115  32.660
  520    HB2  SER  63           HB2      SER  63   7.746 -32.735  34.169
  521    HB3  SER  63           HB1      SER  63   8.089 -31.865  32.677
  522    HG   SER  63           HG       SER  63   7.244 -29.985  33.706
  523    H    SER  64           HN       SER  64   4.299 -30.292  33.529
  524    HA   SER  64           HA       SER  64   3.450 -31.394  36.151
  525    HB2  SER  64           HB2      SER  64   4.404 -29.265  36.549
  526    HB3  SER  64           HB1      SER  64   3.636 -28.563  35.128
  527    HG   SER  64           HG       SER  64   2.250 -27.966  36.635
  528    H    GLU  65           HN       GLU  65   2.467 -31.893  33.304
  529    HA   GLU  65           HA       GLU  65   0.447 -32.374  32.330
  530    HB2  GLU  65           HB2      GLU  65  -0.053 -33.051  34.782
  531    HB3  GLU  65           HB1      GLU  65  -0.940 -31.531  34.871
  532    HG2  GLU  65           HG2      GLU  65  -2.349 -32.212  32.980
  533    HG3  GLU  65           HG1      GLU  65  -1.433 -33.707  32.817
  534    H    ARG  66           HN       ARG  66   1.633 -29.773  32.117
  535    HA   ARG  66           HA       ARG  66  -0.503 -27.818  32.274
  536    HB2  ARG  66           HB2      ARG  66   1.967 -27.328  32.667
  537    HB3  ARG  66           HB1      ARG  66   2.166 -27.451  30.921
  538    HG2  ARG  66           HG2      ARG  66   0.533 -25.670  30.567
  539    HG3  ARG  66           HG1      ARG  66   0.211 -25.587  32.299
  540    HD2  ARG  66           HD2      ARG  66   2.902 -25.061  31.015
  541    HD3  ARG  66           HD1      ARG  66   1.778 -23.811  31.541
  542    HE   ARG  66           HE       ARG  66   3.444 -25.474  33.244
  543   HH11  ARG  66          HH21      ARG  66   0.664 -23.429  32.956
  544   HH12  ARG  66          HH22      ARG  66   0.609 -23.037  34.642
  545   HH21  ARG  66          HH11      ARG  66   3.370 -24.969  35.454
  546   HH22  ARG  66          HH12      ARG  66   2.141 -23.909  36.058
  547    H    LEU  67           HN       LEU  67   0.484 -30.166  30.023
  548    HA   LEU  67           HA       LEU  67   0.240 -29.150  27.527
  549    HB2  LEU  67           HB2      LEU  67  -0.994 -31.261  26.893
  550    HB3  LEU  67           HB1      LEU  67   0.529 -31.494  27.729
  551    HG   LEU  67           HG       LEU  67  -1.659 -31.255  29.669
  552   HD11  LEU  67          HD11      LEU  67  -1.893 -33.524  27.676
  553   HD12  LEU  67          HD12      LEU  67  -3.015 -32.172  27.811
  554   HD13  LEU  67          HD13      LEU  67  -2.852 -33.320  29.142
  555   HD21  LEU  67          HD21      LEU  67   0.120 -33.622  29.011
  556   HD22  LEU  67          HD22      LEU  67  -0.703 -33.303  30.537
  557   HD23  LEU  67          HD23      LEU  67   0.626 -32.263  30.015
  558    H    ASN  68           HN       ASN  68  -2.201 -29.116  29.948
  559    HA   ASN  68           HA       ASN  68  -4.544 -29.001  28.424
  560    HB2  ASN  68           HB2      ASN  68  -5.347 -27.516  30.381
  561    HB3  ASN  68           HB1      ASN  68  -4.823 -29.156  30.758
  562   HD21  ASN  68          HD21      ASN  68  -3.902 -28.871  32.837
  563   HD22  ASN  68          HD22      ASN  68  -2.633 -27.792  33.162
  564    H    ALA  69           HN       ALA  69  -2.252 -26.446  29.338
  565    HA   ALA  69           HA       ALA  69  -3.702 -24.327  28.078
  566    HB1  ALA  69           HB1      ALA  69  -1.480 -23.119  28.276
  567    HB2  ALA  69           HB2      ALA  69  -0.839 -24.595  28.999
  568    HB3  ALA  69           HB3      ALA  69  -2.153 -23.724  29.790
  569    H    PHE  70           HN       PHE  70  -1.077 -26.482  27.097
  570    HA   PHE  70           HA       PHE  70  -0.481 -25.226  24.633
  571    HB2  PHE  70           HB2      PHE  70  -0.119 -28.074  25.554
  572    HB3  PHE  70           HB1      PHE  70   0.491 -27.462  24.023
  573    HD1  PHE  70           HD2      PHE  70   0.612 -26.869  27.713
  574    HD2  PHE  70           HD1      PHE  70   2.529 -26.268  23.916
  575    HE1  PHE  70           HE2      PHE  70   2.602 -25.944  28.864
  576    HE2  PHE  70           HE1      PHE  70   4.517 -25.337  25.068
  577    HZ   PHE  70           HZ       PHE  70   4.554 -25.176  27.543
  578    H    ARG  71           HN       ARG  71  -2.853 -27.648  25.584
  579    HA   ARG  71           HA       ARG  71  -3.647 -28.671  23.167
  580    HB2  ARG  71           HB2      ARG  71  -4.654 -29.451  25.199
  581    HB3  ARG  71           HB1      ARG  71  -5.363 -27.870  25.519
  582    HG2  ARG  71           HG2      ARG  71  -6.802 -28.080  23.551
  583    HG3  ARG  71           HG1      ARG  71  -6.022 -29.603  23.118
  584    HD2  ARG  71           HD2      ARG  71  -8.120 -30.081  24.250
  585    HD3  ARG  71           HD1      ARG  71  -6.781 -30.558  25.292
  586    HE   ARG  71           HE       ARG  71  -7.366 -28.842  26.772
  587   HH11  ARG  71          HH21      ARG  71  -9.065 -28.590  23.769
  588   HH12  ARG  71          HH22      ARG  71 -10.188 -27.402  24.344
  589   HH21  ARG  71          HH11      ARG  71  -8.839 -27.287  27.536
  590   HH22  ARG  71          HH12      ARG  71 -10.060 -26.666  26.476
  591    H    GLU  72           HN       GLU  72  -3.954 -25.435  24.326
  592    HA   GLU  72           HA       GLU  72  -6.068 -24.547  22.664
  593    HB2  GLU  72           HB2      GLU  72  -3.713 -23.081  23.875
  594    HB3  GLU  72           HB1      GLU  72  -5.036 -22.280  23.026
  595    HG2  GLU  72           HG2      GLU  72  -5.434 -24.116  25.398
  596    HG3  GLU  72           HG1      GLU  72  -5.320 -22.360  25.529
  597    H    LEU  73           HN       LEU  73  -2.536 -24.495  22.274
  598    HA   LEU  73           HA       LEU  73  -2.540 -23.334  19.693
  599    HB2  LEU  73           HB2      LEU  73  -0.599 -23.777  21.472
  600    HB3  LEU  73           HB1      LEU  73  -0.371 -25.238  20.524
  601    HG   LEU  73           HG       LEU  73   1.070 -23.514  19.625
  602   HD11  LEU  73          HD11      LEU  73   0.483 -23.657  17.353
  603   HD12  LEU  73          HD12      LEU  73  -1.241 -23.572  17.693
  604   HD13  LEU  73          HD13      LEU  73  -0.342 -25.042  18.066
  605   HD21  LEU  73          HD21      LEU  73   0.491 -21.317  19.359
  606   HD22  LEU  73          HD22      LEU  73  -0.794 -21.693  20.493
  607   HD23  LEU  73          HD23      LEU  73  -1.121 -21.688  18.763
  608    H    ARG  74           HN       ARG  74  -2.571 -26.672  20.846
  609    HA   ARG  74           HA       ARG  74  -2.319 -27.941  18.338
  610    HB2  ARG  74           HB2      ARG  74  -1.952 -29.192  20.383
  611    HB3  ARG  74           HB1      ARG  74  -3.606 -28.880  20.903
  612    HG2  ARG  74           HG2      ARG  74  -4.524 -30.220  19.183
  613    HG3  ARG  74           HG1      ARG  74  -2.984 -30.312  18.324
  614    HD2  ARG  74           HD2      ARG  74  -3.373 -32.405  19.505
  615    HD3  ARG  74           HD1      ARG  74  -2.031 -31.555  20.264
  616    HE   ARG  74           HE       ARG  74  -4.487 -30.880  21.540
  617   HH11  ARG  74          HH21      ARG  74  -2.140 -33.390  21.152
  618   HH12  ARG  74          HH22      ARG  74  -2.436 -34.100  22.704
  619   HH21  ARG  74          HH11      ARG  74  -4.884 -31.804  23.579
  620   HH22  ARG  74          HH12      ARG  74  -3.991 -33.201  24.079
  621    H    THR  75           HN       THR  75  -5.097 -26.872  20.221
  622    HA   THR  75           HA       THR  75  -7.106 -27.894  18.549
  623    HB   THR  75           HB       THR  75  -7.107 -25.490  20.313
  624    HG1  THR  75           HG1      THR  75  -7.900 -28.176  20.664
  625   HG21  THR  75          HG21      THR  75  -9.618 -25.949  20.276
  626   HG22  THR  75          HG22      THR  75  -9.295 -26.939  18.854
  627   HG23  THR  75          HG23      THR  75  -8.925 -25.215  18.832
  628    H    GLN  76           HN       GLN  76  -5.422 -24.778  18.583
  629    HA   GLN  76           HA       GLN  76  -6.864 -23.531  16.512
  630    HB2  GLN  76           HB2      GLN  76  -4.126 -23.184  17.701
  631    HB3  GLN  76           HB1      GLN  76  -4.507 -22.332  16.204
  632    HG2  GLN  76           HG2      GLN  76  -4.988 -20.996  18.271
  633    HG3  GLN  76           HG1      GLN  76  -6.397 -21.231  17.241
  634   HE21  GLN  76          HE21      GLN  76  -5.467 -21.324  20.439
  635   HE22  GLN  76          HE22      GLN  76  -6.625 -22.416  21.029
  636    H    LEU  77           HN       LEU  77  -4.012 -25.639  16.445
  637    HA   LEU  77           HA       LEU  77  -3.511 -25.451  13.669
  638    HB2  LEU  77           HB2      LEU  77  -2.918 -27.628  15.681
  639    HB3  LEU  77           HB1      LEU  77  -2.362 -27.681  14.012
  640    HG   LEU  77           HG       LEU  77  -1.750 -25.413  15.940
  641   HD11  LEU  77          HD11      LEU  77   0.161 -27.542  14.990
  642   HD12  LEU  77          HD12      LEU  77  -0.737 -27.688  16.502
  643   HD13  LEU  77          HD13      LEU  77   0.395 -26.359  16.271
  644   HD21  LEU  77          HD21      LEU  77  -1.459 -24.465  13.829
  645   HD22  LEU  77          HD22      LEU  77  -1.066 -26.009  13.075
  646   HD23  LEU  77          HD23      LEU  77   0.129 -25.181  14.057
  647    H    GLU  78           HN       GLU  78  -5.508 -27.653  15.590
  648    HA   GLU  78           HA       GLU  78  -6.309 -29.284  13.397
  649    HB2  GLU  78           HB2      GLU  78  -6.435 -29.908  15.844
  650    HB3  GLU  78           HB1      GLU  78  -7.819 -28.825  15.979
  651    HG2  GLU  78           HG2      GLU  78  -7.712 -31.051  13.933
  652    HG3  GLU  78           HG1      GLU  78  -8.348 -31.296  15.555
  653    H    LYS  79           HN       LYS  79  -7.682 -26.425  14.969
  654    HA   LYS  79           HA       LYS  79 -10.126 -26.382  13.530
  655    HB2  LYS  79           HB2      LYS  79  -9.709 -25.130  15.637
  656    HB3  LYS  79           HB1      LYS  79  -8.619 -24.060  14.758
  657    HG2  LYS  79           HG2      LYS  79 -10.467 -23.423  13.242
  658    HG3  LYS  79           HG1      LYS  79 -11.559 -24.481  14.130
  659    HD2  LYS  79           HD2      LYS  79 -10.028 -22.249  15.480
  660    HD3  LYS  79           HD1      LYS  79 -11.609 -21.987  14.748
  661    HE2  LYS  79           HE2      LYS  79 -12.451 -23.920  16.200
  662    HE3  LYS  79           HE1      LYS  79 -10.919 -23.808  17.066
  663    HZ1  LYS  79           HZ1      LYS  79 -12.210 -22.396  18.276
  664    HZ2  LYS  79           HZ2      LYS  79 -13.125 -21.885  16.938
  665    HZ3  LYS  79           HZ3      LYS  79 -11.544 -21.303  17.164
  666    H    ALA  80           HN       ALA  80  -6.987 -24.808  13.055
  667    HA   ALA  80           HA       ALA  80  -7.706 -23.343  10.759
  668    HB1  ALA  80           HB1      ALA  80  -5.243 -23.247  10.330
  669    HB2  ALA  80           HB2      ALA  80  -5.011 -24.359  11.680
  670    HB3  ALA  80           HB3      ALA  80  -5.698 -22.759  11.962
  671    H    LEU  81           HN       LEU  81  -6.994 -26.662  11.274
  672    HA   LEU  81           HA       LEU  81  -6.047 -27.405   8.738
  673    HB2  LEU  81           HB2      LEU  81  -6.396 -28.746  11.037
  674    HB3  LEU  81           HB1      LEU  81  -7.865 -29.267  10.224
  675    HG   LEU  81           HG       LEU  81  -6.122 -30.869   9.731
  676   HD11  LEU  81          HD11      LEU  81  -6.253 -29.194   7.228
  677   HD12  LEU  81          HD12      LEU  81  -7.704 -29.972   7.865
  678   HD13  LEU  81          HD13      LEU  81  -6.319 -30.948   7.390
  679   HD21  LEU  81          HD21      LEU  81  -4.345 -29.021   8.230
  680   HD22  LEU  81          HD22      LEU  81  -3.940 -30.343   9.314
  681   HD23  LEU  81          HD23      LEU  81  -4.340 -28.767   9.973
  682    H    GLY  82           HN       GLY  82  -9.325 -26.943   9.978
  683    HA2  GLY  82           HA2      GLY  82 -10.714 -27.966   7.727
  684    HA3  GLY  82           HA1      GLY  82 -11.367 -26.837   8.912
  685    H    LEU  83           HN       LEU  83  -8.506 -25.638   7.671
  686    HA   LEU  83           HA       LEU  83  -7.984 -23.902   6.272
  687    HB2  LEU  83           HB2      LEU  83 -10.291 -24.923   4.601
  688    HB3  LEU  83           HB1      LEU  83  -8.928 -23.951   4.050
  689    HG   LEU  83           HG       LEU  83  -8.729 -26.752   5.197
  690   HD11  LEU  83          HD11      LEU  83  -8.459 -25.726   2.357
  691   HD12  LEU  83          HD12      LEU  83  -9.756 -26.750   2.975
  692   HD13  LEU  83          HD13      LEU  83  -8.109 -27.374   2.874
  693   HD21  LEU  83          HD21      LEU  83  -6.666 -25.716   5.693
  694   HD22  LEU  83          HD22      LEU  83  -6.696 -24.742   4.223
  695   HD23  LEU  83          HD23      LEU  83  -6.356 -26.469   4.130
  696    H    GLU  84           HN       GLU  84  -9.731 -23.380   8.445
  697    HA   GLU  84           HA       GLU  84 -11.951 -21.778   7.659
  698    HB2  GLU  84           HB2      GLU  84 -10.329 -21.812  10.218
  699    HB3  GLU  84           HB1      GLU  84 -11.851 -20.947  10.006
  700    HG2  GLU  84           HG2      GLU  84 -11.515 -23.932   9.602
  701    HG3  GLU  84           HG1      GLU  84 -12.137 -23.193  11.076
  702    H    HIS  85           HN       HIS  85 -12.070 -19.654   7.142
  703    HA   HIS  85           HA       HIS  85  -9.570 -18.247   6.625
  704    HB2  HIS  85           HB2      HIS  85 -12.456 -17.516   6.077
  705    HB3  HIS  85           HB1      HIS  85 -11.063 -16.559   5.573
  706    HD2  HIS  85           HD2      HIS  85 -13.108 -19.543   4.298
  707    HE1  HIS  85           HE1      HIS  85  -9.522 -19.534   2.070
  708    HE2  HIS  85           HE2      HIS  85 -11.850 -20.536   2.237
  709    H    HIS  86           HN       HIS  86  -8.648 -17.133   8.215
  710    HA   HIS  86           HA       HIS  86 -10.279 -15.993  10.374
  711    HB2  HIS  86           HB2      HIS  86  -7.309 -16.398  10.005
  712    HB3  HIS  86           HB1      HIS  86  -7.985 -15.481  11.351
  713    HD2  HIS  86           HD2      HIS  86  -9.184 -17.044  13.365
  714    HE1  HIS  86           HE1      HIS  86  -8.551 -20.792  11.528
  715    HE2  HIS  86           HE2      HIS  86  -9.323 -19.635  13.653
  716    H    HIS  87           HN       HIS  87  -8.843 -15.044   7.440
  717    HA   HIS  87           HA       HIS  87  -9.492 -12.252   7.976
  718    HB2  HIS  87           HB2      HIS  87  -7.157 -12.379   8.707
  719    HB3  HIS  87           HB1      HIS  87  -6.699 -13.094   7.160
  720    HD2  HIS  87           HD2      HIS  87  -6.078 -11.210   5.227
  721    HE1  HIS  87           HE1      HIS  87  -7.852  -7.857   7.079
  722    HE2  HIS  87           HE2      HIS  87  -6.465  -8.630   5.098
  723    H    HIS  88           HN       HIS  88  -7.295 -13.438   5.489
  724    HA   HIS  88           HA       HIS  88  -7.450 -13.240   3.191
  725    HB2  HIS  88           HB2      HIS  88  -8.569 -15.389   3.586
  726    HB3  HIS  88           HB1      HIS  88 -10.107 -14.555   3.814
  727    HD2  HIS  88           HD2      HIS  88 -11.522 -14.270   1.462
  728    HE1  HIS  88           HE1      HIS  88  -8.316 -14.787  -1.237
  729    HE2  HIS  88           HE2      HIS  88 -10.826 -14.444  -1.049
  730    H    HIS  89           HN       HIS  89 -10.737 -13.181   2.706
  731    HA   HIS  89           HA       HIS  89 -11.943 -11.563   1.522
  732    HB2  HIS  89           HB2      HIS  89 -11.578 -10.416   4.294
  733    HB3  HIS  89           HB1      HIS  89 -12.799  -9.881   3.142
  734    HD2  HIS  89           HD2      HIS  89 -12.610 -12.350   5.959
  735    HE1  HIS  89           HE1      HIS  89 -15.485 -13.966   3.324
  736    HE2  HIS  89           HE2      HIS  89 -14.509 -14.117   5.665
  737    H    HIS  90           HN       HIS  90 -10.258 -10.894   0.001
  738    HA   HIS  90           HA       HIS  90  -9.807  -8.050   0.156
  739    HB2  HIS  90           HB2      HIS  90  -7.895  -8.951   1.489
  740    HB3  HIS  90           HB1      HIS  90  -7.374  -9.846   0.061
  741    HD2  HIS  90           HD2      HIS  90  -7.730  -6.064   1.187
  742    HE1  HIS  90           HE1      HIS  90  -5.283  -6.228  -2.249
  743    HE2  HIS  90           HE2      HIS  90  -6.215  -4.703  -0.446
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  -5.995 -17.587  24.033
    2    H2   MET   1           HT2      MET   1  -7.578 -17.676  23.423
    3    H3   MET   1           HT3      MET   1  -7.317 -17.448  25.086
    4    HA   MET   1           HA       MET   1  -7.866 -15.333  24.370
    5    HB2  MET   1           HB2      MET   1  -4.852 -15.653  24.271
    6    HB3  MET   1           HB1      MET   1  -5.672 -14.093  24.355
    7    HG2  MET   1           HG2      MET   1  -6.751 -14.764  26.467
    8    HG3  MET   1           HG1      MET   1  -5.952 -16.333  26.378
    9    HE1  MET   1           HE1      MET   1  -5.720 -12.685  26.300
   10    HE2  MET   1           HE2      MET   1  -4.126 -12.645  25.553
   11    HE3  MET   1           HE3      MET   1  -4.305 -12.215  27.252
   12    H    GLY   2           HN       GLY   2  -5.087 -16.162  22.289
   13    HA2  GLY   2           HA2      GLY   2  -6.531 -15.944  19.846
   14    HA3  GLY   2           HA1      GLY   2  -5.673 -14.445  20.189
   15    H    VAL   3           HN       VAL   3  -4.800 -15.438  17.996
   16    HA   VAL   3           HA       VAL   3  -2.916 -17.542  18.085
   17    HB   VAL   3           HB       VAL   3  -3.879 -16.664  15.983
   18   HG11  VAL   3          HG11      VAL   3  -3.140 -14.542  15.076
   19   HG12  VAL   3          HG12      VAL   3  -2.047 -14.291  16.438
   20   HG13  VAL   3          HG13      VAL   3  -3.793 -14.254  16.688
   21   HG21  VAL   3          HG21      VAL   3  -1.579 -17.838  16.177
   22   HG22  VAL   3          HG22      VAL   3  -0.885 -16.234  15.939
   23   HG23  VAL   3          HG23      VAL   3  -1.906 -16.947  14.691
   24    H    TRP   4           HN       TRP   4  -2.827 -14.383  19.322
   25    HA   TRP   4           HA       TRP   4  -0.000 -13.936  19.124
   26    HB2  TRP   4           HB2      TRP   4  -2.098 -12.687  20.913
   27    HB3  TRP   4           HB1      TRP   4  -0.446 -12.097  20.718
   28    HD1  TRP   4           HD1      TRP   4  -3.608 -12.753  18.615
   29    HE1  TRP   4           HE1      TRP   4  -3.611 -11.116  16.623
   30    HE3  TRP   4           HE3      TRP   4   0.912 -10.485  19.329
   31    HZ2  TRP   4           HZ2      TRP   4  -1.922  -9.108  15.486
   32    HZ3  TRP   4           HZ3      TRP   4   1.687  -8.712  17.781
   33    HH2  TRP   4           HH2      TRP   4   0.277  -8.021  15.861
   34    H    THR   5           HN       THR   5   1.539 -14.810  20.314
   35    HA   THR   5           HA       THR   5   1.312 -15.252  23.120
   36    HB   THR   5           HB       THR   5   1.650 -17.795  21.533
   37    HG1  THR   5           HG1      THR   5  -0.390 -17.723  21.135
   38   HG21  THR   5          HG21      THR   5   1.263 -18.862  23.622
   39   HG22  THR   5          HG22      THR   5   0.646 -17.378  24.349
   40   HG23  THR   5          HG23      THR   5   2.362 -17.528  23.974
   41    HA   PRO   6           HA       PRO   6   5.512 -15.060  20.794
   42    HB2  PRO   6           HB2      PRO   6   6.171 -12.491  21.591
   43    HB3  PRO   6           HB1      PRO   6   5.352 -12.871  20.063
   44    HG2  PRO   6           HG2      PRO   6   4.167 -11.974  22.659
   45    HG3  PRO   6           HG1      PRO   6   3.815 -11.417  21.012
   46    HD2  PRO   6           HD2      PRO   6   2.184 -13.160  22.236
   47    HD3  PRO   6           HD1      PRO   6   2.540 -13.316  20.498
   48    H    GLU   7           HN       GLU   7   7.650 -14.328  21.974
   49    HA   GLU   7           HA       GLU   7   8.088 -15.846  24.211
   50    HB2  GLU   7           HB2      GLU   7  10.053 -14.379  24.659
   51    HB3  GLU   7           HB1      GLU   7   9.930 -14.875  22.971
   52    HG2  GLU   7           HG2      GLU   7   8.847 -12.731  22.415
   53    HG3  GLU   7           HG1      GLU   7   8.967 -12.232  24.102
   54    H    VAL   8           HN       VAL   8   6.307 -12.944  24.028
   55    HA   VAL   8           HA       VAL   8   6.674 -11.740  26.499
   56    HB   VAL   8           HB       VAL   8   4.086 -12.160  24.985
   57   HG11  VAL   8          HG11      VAL   8   4.847 -10.304  27.249
   58   HG12  VAL   8          HG12      VAL   8   3.530 -11.477  27.208
   59   HG13  VAL   8          HG13      VAL   8   3.447 -10.024  26.211
   60   HG21  VAL   8          HG21      VAL   8   4.545 -10.042  23.945
   61   HG22  VAL   8          HG22      VAL   8   5.997 -11.026  23.765
   62   HG23  VAL   8          HG23      VAL   8   5.936  -9.761  24.993
   63    H    LEU   9           HN       LEU   9   4.441 -14.400  25.652
   64    HA   LEU   9           HA       LEU   9   3.454 -14.770  28.282
   65    HB2  LEU   9           HB2      LEU   9   2.275 -15.672  26.321
   66    HB3  LEU   9           HB1      LEU   9   3.631 -16.749  25.990
   67    HG   LEU   9           HG       LEU   9   3.279 -17.890  28.143
   68   HD11  LEU   9          HD11      LEU   9   1.236 -15.711  28.505
   69   HD12  LEU   9          HD12      LEU   9   2.413 -16.341  29.656
   70   HD13  LEU   9          HD13      LEU   9   0.973 -17.279  29.269
   71   HD21  LEU   9          HD21      LEU   9   1.260 -19.053  27.553
   72   HD22  LEU   9          HD22      LEU   9   2.026 -18.554  26.049
   73   HD23  LEU   9          HD23      LEU   9   0.643 -17.656  26.671
   74    H    LYS  10           HN       LYS  10   6.082 -16.286  26.457
   75    HA   LYS  10           HA       LYS  10   6.823 -18.190  28.403
   76    HB2  LYS  10           HB2      LYS  10   7.561 -18.215  26.024
   77    HB3  LYS  10           HB1      LYS  10   8.607 -16.838  26.363
   78    HG2  LYS  10           HG2      LYS  10   9.787 -18.157  28.091
   79    HG3  LYS  10           HG1      LYS  10   8.762 -19.544  27.726
   80    HD2  LYS  10           HD2      LYS  10  10.441 -18.181  25.612
   81    HD3  LYS  10           HD1      LYS  10  11.074 -19.488  26.608
   82    HE2  LYS  10           HE2      LYS  10   9.058 -20.867  25.841
   83    HE3  LYS  10           HE1      LYS  10   8.774 -19.603  24.644
   84    HZ1  LYS  10           HZ1      LYS  10  10.905 -19.964  23.700
   85    HZ2  LYS  10           HZ2      LYS  10  10.162 -21.485  23.843
   86    HZ3  LYS  10           HZ3      LYS  10  11.363 -21.014  24.949
   87    H    ALA  11           HN       ALA  11   7.753 -14.831  27.885
   88    HA   ALA  11           HA       ALA  11   9.866 -14.724  29.752
   89    HB1  ALA  11           HB1      ALA  11   7.968 -12.558  28.815
   90    HB2  ALA  11           HB2      ALA  11   9.536 -12.952  28.109
   91    HB3  ALA  11           HB3      ALA  11   9.445 -12.271  29.734
   92    H    ARG  12           HN       ARG  12   6.378 -14.167  30.051
   93    HA   ARG  12           HA       ARG  12   6.438 -13.347  32.768
   94    HB2  ARG  12           HB2      ARG  12   4.516 -12.916  31.268
   95    HB3  ARG  12           HB1      ARG  12   4.188 -14.646  31.208
   96    HG2  ARG  12           HG2      ARG  12   2.717 -13.566  32.846
   97    HG3  ARG  12           HG1      ARG  12   3.832 -14.653  33.669
   98    HD2  ARG  12           HD2      ARG  12   5.074 -12.897  34.579
   99    HD3  ARG  12           HD1      ARG  12   4.584 -11.761  33.324
  100    HE   ARG  12           HE       ARG  12   2.359 -12.616  34.922
  101   HH11  ARG  12          HH21      ARG  12   5.119 -10.547  34.765
  102   HH12  ARG  12          HH22      ARG  12   4.473  -9.364  35.853
  103   HH21  ARG  12          HH11      ARG  12   1.496 -11.076  36.354
  104   HH22  ARG  12          HH12      ARG  12   2.417  -9.665  36.755
  105    H    ALA  13           HN       ALA  13   5.860 -16.478  31.193
  106    HA   ALA  13           HA       ALA  13   5.450 -17.926  33.612
  107    HB1  ALA  13           HB1      ALA  13   5.968 -19.922  32.102
  108    HB2  ALA  13           HB2      ALA  13   6.155 -18.752  30.795
  109    HB3  ALA  13           HB3      ALA  13   4.606 -18.908  31.623
  110    H    SER  14           HN       SER  14   8.251 -17.269  31.584
  111    HA   SER  14           HA       SER  14  10.034 -18.845  33.266
  112    HB2  SER  14           HB2      SER  14  10.619 -17.058  30.892
  113    HB3  SER  14           HB1      SER  14  11.761 -18.155  31.667
  114    HG   SER  14           HG       SER  14  10.395 -18.829  29.706
  115    H    VAL  15           HN       VAL  15   8.653 -15.841  33.429
  116    HA   VAL  15           HA       VAL  15   9.058 -13.965  34.687
  117    HB   VAL  15           HB       VAL  15  11.290 -15.533  35.985
  118   HG11  VAL  15          HG11      VAL  15  10.962 -13.060  36.465
  119   HG12  VAL  15          HG12      VAL  15  10.859 -14.118  37.872
  120   HG13  VAL  15          HG13      VAL  15   9.387 -13.482  37.137
  121   HG21  VAL  15          HG21      VAL  15   9.492 -16.259  37.598
  122   HG22  VAL  15          HG22      VAL  15   9.338 -16.971  35.991
  123   HG23  VAL  15          HG23      VAL  15   8.298 -15.628  36.465
  124    H    ILE  16           HN       ILE  16  12.353 -15.298  34.472
  125    HA   ILE  16           HA       ILE  16  13.257 -12.745  33.292
  126    HB   ILE  16           HB       ILE  16  15.550 -13.687  33.897
  127   HG12  ILE  16          HG12      ILE  16  13.818 -15.612  35.485
  128   HG13  ILE  16          HG11      ILE  16  14.805 -16.057  34.092
  129   HG21  ILE  16          HG21      ILE  16  15.313 -13.031  36.238
  130   HG22  ILE  16          HG22      ILE  16  13.571 -13.290  36.162
  131   HG23  ILE  16          HG23      ILE  16  14.309 -11.982  35.237
  132   HD11  ILE  16          HD11      ILE  16  15.722 -15.101  36.806
  133   HD12  ILE  16          HD12      ILE  16  16.783 -15.031  35.400
  134   HD13  ILE  16          HD13      ILE  16  16.164 -16.584  35.961
  135    H    GLY  17           HN       GLY  17  13.900 -12.626  31.251
  136    HA2  GLY  17           HA2      GLY  17  13.715 -14.956  29.542
  137    HA3  GLY  17           HA1      GLY  17  14.051 -13.303  29.032
  138    H    LYS  18           HN       LYS  18  15.381 -16.033  28.548
  139    HA   LYS  18           HA       LYS  18  18.115 -15.030  28.878
  140    HB2  LYS  18           HB2      LYS  18  18.028 -17.912  29.453
  141    HB3  LYS  18           HB1      LYS  18  18.807 -16.617  30.357
  142    HG2  LYS  18           HG2      LYS  18  16.664 -16.067  31.444
  143    HG3  LYS  18           HG1      LYS  18  15.852 -17.306  30.491
  144    HD2  LYS  18           HD2      LYS  18  16.265 -18.386  32.550
  145    HD3  LYS  18           HD1      LYS  18  17.564 -18.958  31.508
  146    HE2  LYS  18           HE2      LYS  18  18.324 -18.258  33.806
  147    HE3  LYS  18           HE1      LYS  18  19.132 -17.396  32.500
  148    HZ1  LYS  18           HZ1      LYS  18  18.054 -15.474  32.977
  149    HZ2  LYS  18           HZ2      LYS  18  18.068 -16.148  34.536
  150    HZ3  LYS  18           HZ3      LYS  18  16.670 -16.250  33.576
  151    HA   PRO  19           HA       PRO  19  19.061 -16.810  24.962
  152    HB2  PRO  19           HB2      PRO  19  20.977 -18.803  26.104
  153    HB3  PRO  19           HB1      PRO  19  21.263 -17.528  24.902
  154    HG2  PRO  19           HG2      PRO  19  22.156 -17.295  27.400
  155    HG3  PRO  19           HG1      PRO  19  21.534 -15.893  26.511
  156    HD2  PRO  19           HD2      PRO  19  20.193 -17.500  28.670
  157    HD3  PRO  19           HD1      PRO  19  20.162 -15.747  28.377
  158    H    ILE  20           HN       ILE  20  17.553 -18.019  23.956
  159    HA   ILE  20           HA       ILE  20  16.628 -20.537  25.117
  160    HB   ILE  20           HB       ILE  20  15.743 -19.059  22.621
  161   HG12  ILE  20          HG12      ILE  20  14.416 -19.309  25.342
  162   HG13  ILE  20          HG11      ILE  20  15.356 -17.903  24.828
  163   HG21  ILE  20          HG21      ILE  20  14.579 -21.446  24.097
  164   HG22  ILE  20          HG22      ILE  20  15.249 -21.453  22.466
  165   HG23  ILE  20          HG23      ILE  20  13.760 -20.577  22.800
  166   HD11  ILE  20          HD11      ILE  20  12.767 -18.934  23.648
  167   HD12  ILE  20          HD12      ILE  20  13.797 -17.780  22.799
  168   HD13  ILE  20          HD13      ILE  20  13.086 -17.350  24.354
  169    H    GLY  21           HN       GLY  21  17.226 -22.505  24.431
  170    HA2  GLY  21           HA2      GLY  21  19.452 -22.910  22.775
  171    HA3  GLY  21           HA1      GLY  21  18.295 -24.158  23.235
  172    H    GLU  22           HN       GLU  22  19.618 -23.793  20.655
  173    HA   GLU  22           HA       GLU  22  18.061 -22.594  18.691
  174    HB2  GLU  22           HB2      GLU  22  20.294 -23.587  18.291
  175    HB3  GLU  22           HB1      GLU  22  19.597 -25.196  18.468
  176    HG2  GLU  22           HG2      GLU  22  18.123 -24.797  16.549
  177    HG3  GLU  22           HG1      GLU  22  18.744 -23.154  16.394
  178    H    SER  23           HN       SER  23  17.821 -25.891  20.009
  179    HA   SER  23           HA       SER  23  15.664 -26.728  18.392
  180    HB2  SER  23           HB2      SER  23  17.058 -28.300  19.669
  181    HB3  SER  23           HB1      SER  23  16.425 -27.643  21.176
  182    HG   SER  23           HG       SER  23  14.293 -28.196  20.206
  183    H    TYR  24           HN       TYR  24  15.763 -25.174  21.588
  184    HA   TYR  24           HA       TYR  24  12.894 -25.211  21.881
  185    HB2  TYR  24           HB2      TYR  24  15.046 -23.748  23.432
  186    HB3  TYR  24           HB1      TYR  24  13.344 -23.828  23.890
  187    HD1  TYR  24           HD2      TYR  24  12.295 -26.053  24.409
  188    HD2  TYR  24           HD1      TYR  24  16.527 -25.586  23.831
  189    HE1  TYR  24           HE2      TYR  24  12.687 -28.242  25.506
  190    HE2  TYR  24           HE1      TYR  24  16.918 -27.777  24.928
  191    HH   TYR  24           HH       TYR  24  15.959 -29.619  25.745
  192    H    LYS  25           HN       LYS  25  15.073 -23.338  20.135
  193    HA   LYS  25           HA       LYS  25  13.474 -20.879  20.253
  194    HB2  LYS  25           HB2      LYS  25  15.973 -20.778  20.265
  195    HB3  LYS  25           HB1      LYS  25  15.969 -21.473  18.643
  196    HG2  LYS  25           HG2      LYS  25  14.683 -19.585  17.792
  197    HG3  LYS  25           HG1      LYS  25  14.551 -18.907  19.414
  198    HD2  LYS  25           HD2      LYS  25  17.014 -18.688  19.516
  199    HD3  LYS  25           HD1      LYS  25  17.130 -19.338  17.879
  200    HE2  LYS  25           HE2      LYS  25  15.817 -17.460  17.010
  201    HE3  LYS  25           HE1      LYS  25  15.614 -16.824  18.643
  202    HZ1  LYS  25           HZ1      LYS  25  17.850 -16.601  16.869
  203    HZ2  LYS  25           HZ2      LYS  25  18.301 -17.167  18.406
  204    HZ3  LYS  25           HZ3      LYS  25  17.471 -15.693  18.251
  205    H    ARG  26           HN       ARG  26  13.861 -23.717  18.344
  206    HA   ARG  26           HA       ARG  26  12.998 -22.692  15.837
  207    HB2  ARG  26           HB2      ARG  26  14.188 -24.854  16.086
  208    HB3  ARG  26           HB1      ARG  26  12.775 -25.514  16.911
  209    HG2  ARG  26           HG2      ARG  26  11.395 -25.086  14.905
  210    HG3  ARG  26           HG1      ARG  26  12.805 -24.422  14.078
  211    HD2  ARG  26           HD2      ARG  26  12.659 -27.239  15.181
  212    HD3  ARG  26           HD1      ARG  26  12.323 -26.822  13.503
  213    HE   ARG  26           HE       ARG  26  14.847 -25.774  14.199
  214   HH11  ARG  26          HH21      ARG  26  13.209 -28.789  13.745
  215   HH12  ARG  26          HH22      ARG  26  14.631 -29.644  13.249
  216   HH21  ARG  26          HH11      ARG  26  16.716 -26.891  13.552
  217   HH22  ARG  26          HH12      ARG  26  16.616 -28.571  13.138
  218    H    ILE  27           HN       ILE  27  11.320 -24.193  18.580
  219    HA   ILE  27           HA       ILE  27   8.791 -24.381  17.371
  220    HB   ILE  27           HB       ILE  27   9.351 -25.534  19.466
  221   HG12  ILE  27          HG12      ILE  27   7.144 -23.519  19.984
  222   HG13  ILE  27          HG11      ILE  27   6.956 -24.890  18.888
  223   HG21  ILE  27          HG21      ILE  27   9.763 -24.392  21.495
  224   HG22  ILE  27          HG22      ILE  27   9.132 -22.868  20.871
  225   HG23  ILE  27          HG23      ILE  27  10.683 -23.481  20.301
  226   HD11  ILE  27          HD11      ILE  27   7.168 -26.465  20.626
  227   HD12  ILE  27          HD12      ILE  27   6.201 -25.190  21.361
  228   HD13  ILE  27          HD13      ILE  27   7.921 -25.306  21.719
  229    H    LEU  28           HN       LEU  28  10.261 -21.850  19.348
  230    HA   LEU  28           HA       LEU  28   8.035 -20.104  19.337
  231    HB2  LEU  28           HB2      LEU  28   9.873 -19.905  20.971
  232    HB3  LEU  28           HB1      LEU  28  10.979 -19.463  19.672
  233    HG   LEU  28           HG       LEU  28   9.606 -17.464  19.181
  234   HD11  LEU  28          HD11      LEU  28   7.918 -16.910  21.139
  235   HD12  LEU  28          HD12      LEU  28   7.863 -18.663  21.321
  236   HD13  LEU  28          HD13      LEU  28   7.402 -17.918  19.789
  237   HD21  LEU  28          HD21      LEU  28  10.216 -17.560  22.142
  238   HD22  LEU  28          HD22      LEU  28  10.341 -16.179  21.053
  239   HD23  LEU  28          HD23      LEU  28  11.485 -17.515  20.919
  240    H    ALA  29           HN       ALA  29  10.841 -20.472  17.229
  241    HA   ALA  29           HA       ALA  29  10.581 -18.166  15.686
  242    HB1  ALA  29           HB1      ALA  29  11.662 -19.595  13.864
  243    HB2  ALA  29           HB2      ALA  29  11.601 -20.926  15.022
  244    HB3  ALA  29           HB3      ALA  29  12.535 -19.476  15.391
  245    H    LYS  30           HN       LYS  30   8.921 -21.273  15.424
  246    HA   LYS  30           HA       LYS  30   7.652 -20.822  12.945
  247    HB2  LYS  30           HB2      LYS  30   6.776 -22.446  15.343
  248    HB3  LYS  30           HB1      LYS  30   6.010 -22.526  13.759
  249    HG2  LYS  30           HG2      LYS  30   8.965 -23.024  14.151
  250    HG3  LYS  30           HG1      LYS  30   7.775 -24.316  14.267
  251    HD2  LYS  30           HD2      LYS  30   6.988 -23.584  11.939
  252    HD3  LYS  30           HD1      LYS  30   8.464 -22.625  11.854
  253    HE2  LYS  30           HE2      LYS  30   9.809 -24.652  12.281
  254    HE3  LYS  30           HE1      LYS  30   8.333 -25.616  12.329
  255    HZ1  LYS  30           HZ1      LYS  30   8.000 -25.390  10.100
  256    HZ2  LYS  30           HZ2      LYS  30   9.698 -25.354  10.132
  257    HZ3  LYS  30           HZ3      LYS  30   8.816 -23.908  10.000
  258    H    LEU  31           HN       LEU  31   6.668 -20.088  16.274
  259    HA   LEU  31           HA       LEU  31   4.107 -19.092  15.629
  260    HB2  LEU  31           HB2      LEU  31   4.765 -19.657  17.931
  261    HB3  LEU  31           HB1      LEU  31   5.937 -18.340  17.923
  262    HG   LEU  31           HG       LEU  31   4.116 -16.706  17.604
  263   HD11  LEU  31          HD11      LEU  31   2.459 -19.213  17.431
  264   HD12  LEU  31          HD12      LEU  31   2.386 -17.755  16.441
  265   HD13  LEU  31          HD13      LEU  31   1.734 -17.740  18.078
  266   HD21  LEU  31          HD21      LEU  31   3.041 -17.022  19.832
  267   HD22  LEU  31          HD22      LEU  31   4.789 -17.237  19.877
  268   HD23  LEU  31          HD23      LEU  31   3.726 -18.645  19.901
  269    H    GLN  32           HN       GLN  32   7.271 -17.509  15.941
  270    HA   GLN  32           HA       GLN  32   6.362 -14.868  15.501
  271    HB2  GLN  32           HB2      GLN  32   8.583 -15.406  16.435
  272    HB3  GLN  32           HB1      GLN  32   9.069 -16.076  14.878
  273    HG2  GLN  32           HG2      GLN  32   8.735 -13.886  13.810
  274    HG3  GLN  32           HG1      GLN  32   8.189 -13.211  15.344
  275   HE21  GLN  32          HE21      GLN  32   9.824 -12.042  16.346
  276   HE22  GLN  32          HE22      GLN  32  11.477 -12.422  16.277
  277    H    ARG  33           HN       ARG  33   7.705 -17.297  13.268
  278    HA   ARG  33           HA       ARG  33   7.487 -15.662  10.957
  279    HB2  ARG  33           HB2      ARG  33   8.943 -17.674  11.098
  280    HB3  ARG  33           HB1      ARG  33   7.499 -18.685  11.132
  281    HG2  ARG  33           HG2      ARG  33   6.815 -17.811   8.935
  282    HG3  ARG  33           HG1      ARG  33   8.236 -16.768   8.901
  283    HD2  ARG  33           HD2      ARG  33   9.655 -18.847   9.113
  284    HD3  ARG  33           HD1      ARG  33   8.186 -19.796   8.895
  285    HE   ARG  33           HE       ARG  33   8.360 -17.945   6.783
  286   HH11  ARG  33          HH21      ARG  33   9.989 -20.715   8.067
  287   HH12  ARG  33          HH22      ARG  33  10.570 -21.258   6.529
  288   HH21  ARG  33          HH11      ARG  33   9.125 -18.646   4.764
  289   HH22  ARG  33          HH12      ARG  33  10.079 -20.088   4.657
  290    H    ILE  34           HN       ILE  34   5.383 -18.124  12.405
  291    HA   ILE  34           HA       ILE  34   3.390 -18.081  10.393
  292    HB   ILE  34           HB       ILE  34   3.304 -18.860  13.314
  293   HG12  ILE  34          HG12      ILE  34   4.626 -20.164  11.425
  294   HG13  ILE  34          HG11      ILE  34   3.660 -21.054  12.596
  295   HG21  ILE  34          HG21      ILE  34   1.131 -20.048  12.555
  296   HG22  ILE  34          HG22      ILE  34   1.140 -18.903  11.213
  297   HG23  ILE  34          HG23      ILE  34   1.059 -18.316  12.873
  298   HD11  ILE  34          HD11      ILE  34   1.929 -21.454  11.037
  299   HD12  ILE  34          HD12      ILE  34   3.403 -21.658  10.094
  300   HD13  ILE  34          HD13      ILE  34   2.475 -20.167   9.961
  301    H    HIS  35           HN       HIS  35   3.746 -16.305  13.452
  302    HA   HIS  35           HA       HIS  35   1.348 -15.016  13.646
  303    HB2  HIS  35           HB2      HIS  35   3.170 -14.702  15.249
  304    HB3  HIS  35           HB1      HIS  35   4.080 -13.780  14.050
  305    HD2  HIS  35           HD2      HIS  35   0.800 -13.360  16.217
  306    HE1  HIS  35           HE1      HIS  35   1.877  -9.592  14.647
  307    HE2  HIS  35           HE2      HIS  35   0.283 -10.802  16.212
  308    H    ASN  36           HN       ASN  36   4.126 -13.827  11.738
  309    HA   ASN  36           HA       ASN  36   2.745 -11.639  10.588
  310    HB2  ASN  36           HB2      ASN  36   5.188 -13.170   9.680
  311    HB3  ASN  36           HB1      ASN  36   4.620 -11.683   8.922
  312   HD21  ASN  36          HD21      ASN  36   7.005 -12.552  10.876
  313   HD22  ASN  36          HD22      ASN  36   7.041 -11.252  11.967
  314    H    SER  37           HN       SER  37   3.325 -14.952   9.480
  315    HA   SER  37           HA       SER  37   1.732 -14.521   7.061
  316    HB2  SER  37           HB2      SER  37   3.088 -17.071   7.939
  317    HB3  SER  37           HB1      SER  37   2.556 -16.621   6.320
  318    HG   SER  37           HG       SER  37   4.394 -15.651   6.067
  319    H    ASN  38           HN       ASN  38   0.634 -14.605   9.894
  320    HA   ASN  38           HA       ASN  38  -0.656 -16.898  10.588
  321    HB2  ASN  38           HB2      ASN  38  -0.861 -14.754  11.806
  322    HB3  ASN  38           HB1      ASN  38  -1.925 -14.151  10.538
  323   HD21  ASN  38          HD21      ASN  38  -3.939 -14.089  11.582
  324   HD22  ASN  38          HD22      ASN  38  -4.658 -15.424  12.343
  325    H    ILE  39           HN       ILE  39  -1.815 -18.283   9.502
  326    HA   ILE  39           HA       ILE  39  -3.241 -19.233   7.981
  327    HB   ILE  39           HB       ILE  39  -4.634 -16.559   8.148
  328   HG12  ILE  39          HG12      ILE  39  -5.134 -19.033   9.779
  329   HG13  ILE  39          HG11      ILE  39  -4.140 -17.704  10.361
  330   HG21  ILE  39          HG21      ILE  39  -6.636 -18.052   7.697
  331   HG22  ILE  39          HG22      ILE  39  -5.489 -19.339   7.325
  332   HG23  ILE  39          HG23      ILE  39  -5.523 -17.877   6.340
  333   HD11  ILE  39          HD11      ILE  39  -6.062 -16.161   9.971
  334   HD12  ILE  39          HD12      ILE  39  -6.410 -17.399  11.178
  335   HD13  ILE  39          HD13      ILE  39  -7.052 -17.556   9.542
  336    H    LEU  40           HN       LEU  40  -1.366 -19.065   6.430
  337    HA   LEU  40           HA       LEU  40  -2.063 -17.273   4.158
  338    HB2  LEU  40           HB2      LEU  40   0.266 -17.130   5.595
  339    HB3  LEU  40           HB1      LEU  40   0.747 -18.229   4.317
  340    HG   LEU  40           HG       LEU  40  -0.551 -15.517   3.885
  341   HD11  LEU  40          HD11      LEU  40   1.775 -14.996   2.950
  342   HD12  LEU  40          HD12      LEU  40   2.323 -16.458   3.770
  343   HD13  LEU  40          HD13      LEU  40   1.656 -15.120   4.705
  344   HD21  LEU  40          HD21      LEU  40  -1.069 -17.004   2.055
  345   HD22  LEU  40          HD22      LEU  40   0.587 -17.602   2.006
  346   HD23  LEU  40          HD23      LEU  40   0.236 -15.948   1.516
  347    H    ASP  41           HN       ASP  41  -2.531 -18.282   2.309
  348    HA   ASP  41           HA       ASP  41  -2.968 -20.949   2.024
  349    HB2  ASP  41           HB2      ASP  41  -3.521 -19.055   0.405
  350    HB3  ASP  41           HB1      ASP  41  -1.904 -19.294  -0.253
  351    H    GLU  42           HN       GLU  42   0.098 -19.351   1.941
  352    HA   GLU  42           HA       GLU  42   1.505 -21.616   0.793
  353    HB2  GLU  42           HB2      GLU  42   2.413 -19.011   2.003
  354    HB3  GLU  42           HB1      GLU  42   3.508 -20.201   1.308
  355    HG2  GLU  42           HG2      GLU  42   1.195 -18.952  -0.197
  356    HG3  GLU  42           HG1      GLU  42   2.852 -18.360  -0.283
  357    H    ARG  43           HN       ARG  43   1.696 -19.882   3.920
  358    HA   ARG  43           HA       ARG  43   3.212 -21.983   5.169
  359    HB2  ARG  43           HB2      ARG  43   1.789 -19.683   6.536
  360    HB3  ARG  43           HB1      ARG  43   3.166 -20.603   7.140
  361    HG2  ARG  43           HG2      ARG  43   3.148 -18.769   4.726
  362    HG3  ARG  43           HG1      ARG  43   3.951 -18.472   6.265
  363    HD2  ARG  43           HD2      ARG  43   5.247 -20.643   5.832
  364    HD3  ARG  43           HD1      ARG  43   4.633 -20.543   4.183
  365    HE   ARG  43           HE       ARG  43   5.986 -18.166   5.210
  366   HH11  ARG  43          HH21      ARG  43   6.097 -21.086   3.343
  367   HH12  ARG  43          HH22      ARG  43   7.479 -20.601   2.420
  368   HH21  ARG  43          HH11      ARG  43   7.800 -17.535   4.003
  369   HH22  ARG  43          HH12      ARG  43   8.444 -18.596   2.795
  370    H    GLN  44           HN       GLN  44  -0.110 -21.402   4.678
  371    HA   GLN  44           HA       GLN  44  -1.409 -22.452   6.854
  372    HB2  GLN  44           HB2      GLN  44  -1.940 -22.425   3.919
  373    HB3  GLN  44           HB1      GLN  44  -2.894 -23.565   4.864
  374    HG2  GLN  44           HG2      GLN  44  -3.749 -21.800   6.269
  375    HG3  GLN  44           HG1      GLN  44  -2.642 -20.624   5.569
  376   HE21  GLN  44          HE21      GLN  44  -4.649 -23.089   3.881
  377   HE22  GLN  44          HE22      GLN  44  -5.520 -21.963   2.958
  378    H    GLY  45           HN       GLY  45   0.524 -24.144   4.466
  379    HA2  GLY  45           HA2      GLY  45  -0.276 -26.784   5.210
  380    HA3  GLY  45           HA1      GLY  45   1.163 -26.353   4.289
  381    H    LEU  46           HN       LEU  46   2.205 -24.534   6.270
  382    HA   LEU  46           HA       LEU  46   3.738 -26.347   7.788
  383    HB2  LEU  46           HB2      LEU  46   4.098 -23.781   7.054
  384    HB3  LEU  46           HB1      LEU  46   3.544 -23.506   8.699
  385    HG   LEU  46           HG       LEU  46   5.879 -25.262   7.868
  386   HD11  LEU  46          HD11      LEU  46   5.916 -22.737   9.540
  387   HD12  LEU  46          HD12      LEU  46   6.153 -22.725   7.791
  388   HD13  LEU  46          HD13      LEU  46   7.289 -23.588   8.829
  389   HD21  LEU  46          HD21      LEU  46   5.025 -26.302   9.804
  390   HD22  LEU  46          HD22      LEU  46   4.539 -24.769  10.523
  391   HD23  LEU  46          HD23      LEU  46   6.242 -25.208  10.448
  392    H    MET  47           HN       MET  47   0.783 -24.602   8.456
  393    HA   MET  47           HA       MET  47   0.729 -24.787  11.258
  394    HB2  MET  47           HB2      MET  47  -1.453 -24.706   9.174
  395    HB3  MET  47           HB1      MET  47  -1.815 -24.770  10.897
  396    HG2  MET  47           HG2      MET  47  -0.546 -22.722  11.277
  397    HG3  MET  47           HG1      MET  47  -0.073 -22.669   9.579
  398    HE1  MET  47           HE1      MET  47  -1.320 -20.128   8.985
  399    HE2  MET  47           HE2      MET  47  -0.896 -20.385  10.676
  400    HE3  MET  47           HE3      MET  47  -2.478 -19.731  10.262
  401    H    HIS  48           HN       HIS  48  -0.257 -27.099   8.750
  402    HA   HIS  48           HA       HIS  48  -1.477 -28.986  10.448
  403    HB2  HIS  48           HB2      HIS  48  -1.690 -29.032   7.994
  404    HB3  HIS  48           HB1      HIS  48   0.015 -29.463   7.859
  405    HD2  HIS  48           HD2      HIS  48  -3.161 -31.345   7.760
  406    HE1  HIS  48           HE1      HIS  48  -0.545 -33.952   9.805
  407    HE2  HIS  48           HE2      HIS  48  -2.773 -33.787   8.599
  408    H    GLU  49           HN       GLU  49   1.867 -28.826   9.213
  409    HA   GLU  49           HA       GLU  49   2.764 -31.090  10.711
  410    HB2  GLU  49           HB2      GLU  49   4.258 -28.857   9.324
  411    HB3  GLU  49           HB1      GLU  49   5.046 -30.242  10.082
  412    HG2  GLU  49           HG2      GLU  49   2.905 -30.495   7.961
  413    HG3  GLU  49           HG1      GLU  49   4.631 -30.506   7.603
  414    H    LEU  50           HN       LEU  50   2.549 -27.665  11.315
  415    HA   LEU  50           HA       LEU  50   4.352 -27.453  13.452
  416    HB2  LEU  50           HB2      LEU  50   3.340 -25.508  12.309
  417    HB3  LEU  50           HB1      LEU  50   1.786 -25.912  13.016
  418    HG   LEU  50           HG       LEU  50   2.736 -25.611  15.281
  419   HD11  LEU  50          HD11      LEU  50   5.261 -25.184  13.704
  420   HD12  LEU  50          HD12      LEU  50   5.016 -26.087  15.199
  421   HD13  LEU  50          HD13      LEU  50   5.048 -24.327  15.233
  422   HD21  LEU  50          HD21      LEU  50   1.787 -23.693  13.788
  423   HD22  LEU  50          HD22      LEU  50   3.462 -23.159  13.681
  424   HD23  LEU  50          HD23      LEU  50   2.667 -23.255  15.251
  425    H    MET  51           HN       MET  51   0.990 -28.480  13.316
  426    HA   MET  51           HA       MET  51   0.367 -28.427  16.037
  427    HB2  MET  51           HB2      MET  51  -1.277 -28.837  14.242
  428    HB3  MET  51           HB1      MET  51  -0.555 -30.420  13.953
  429    HG2  MET  51           HG2      MET  51  -1.494 -29.695  16.721
  430    HG3  MET  51           HG1      MET  51  -2.656 -30.239  15.511
  431    HE1  MET  51           HE1      MET  51  -3.101 -32.775  15.015
  432    HE2  MET  51           HE2      MET  51  -3.445 -32.184  16.639
  433    HE3  MET  51           HE3      MET  51  -2.691 -33.762  16.424
  434    H    GLU  52           HN       GLU  52   1.912 -30.977  14.107
  435    HA   GLU  52           HA       GLU  52   2.095 -32.847  16.252
  436    HB2  GLU  52           HB2      GLU  52   3.488 -32.614  13.582
  437    HB3  GLU  52           HB1      GLU  52   3.847 -33.914  14.717
  438    HG2  GLU  52           HG2      GLU  52   2.200 -34.842  13.306
  439    HG3  GLU  52           HG1      GLU  52   1.286 -34.345  14.726
  440    H    LEU  53           HN       LEU  53   4.317 -30.441  14.900
  441    HA   LEU  53           HA       LEU  53   6.573 -31.144  16.443
  442    HB2  LEU  53           HB2      LEU  53   5.720 -28.508  15.238
  443    HB3  LEU  53           HB1      LEU  53   7.310 -28.795  15.945
  444    HG   LEU  53           HG       LEU  53   6.126 -30.427  13.680
  445   HD11  LEU  53          HD11      LEU  53   8.304 -28.332  13.491
  446   HD12  LEU  53          HD12      LEU  53   6.609 -27.991  13.144
  447   HD13  LEU  53          HD13      LEU  53   7.488 -29.165  12.168
  448   HD21  LEU  53          HD21      LEU  53   7.746 -31.827  14.570
  449   HD22  LEU  53          HD22      LEU  53   8.709 -30.498  15.215
  450   HD23  LEU  53          HD23      LEU  53   8.760 -30.873  13.492
  451    H    ILE  54           HN       ILE  54   3.931 -28.841  17.027
  452    HA   ILE  54           HA       ILE  54   4.952 -27.818  19.455
  453    HB   ILE  54           HB       ILE  54   2.138 -27.953  18.383
  454   HG12  ILE  54          HG12      ILE  54   4.028 -26.532  17.271
  455   HG13  ILE  54          HG11      ILE  54   2.486 -25.773  17.609
  456   HG21  ILE  54          HG21      ILE  54   1.789 -26.092  20.139
  457   HG22  ILE  54          HG22      ILE  54   3.244 -26.726  20.908
  458   HG23  ILE  54          HG23      ILE  54   1.828 -27.759  20.710
  459   HD11  ILE  54          HD11      ILE  54   4.697 -24.527  18.257
  460   HD12  ILE  54          HD12      ILE  54   4.681 -25.596  19.654
  461   HD13  ILE  54          HD13      ILE  54   3.334 -24.501  19.375
  462    H    ASP  55           HN       ASP  55   2.730 -30.475  18.726
  463    HA   ASP  55           HA       ASP  55   2.038 -31.109  21.372
  464    HB2  ASP  55           HB2      ASP  55   2.151 -32.778  18.857
  465    HB3  ASP  55           HB1      ASP  55   1.521 -33.383  20.390
  466    H    LEU  56           HN       LEU  56   4.642 -32.298  19.267
  467    HA   LEU  56           HA       LEU  56   5.615 -34.233  21.049
  468    HB2  LEU  56           HB2      LEU  56   6.957 -32.673  18.847
  469    HB3  LEU  56           HB1      LEU  56   7.780 -33.948  19.741
  470    HG   LEU  56           HG       LEU  56   5.133 -34.359  18.322
  471   HD11  LEU  56          HD11      LEU  56   7.935 -34.971  17.334
  472   HD12  LEU  56          HD12      LEU  56   6.887 -33.695  16.713
  473   HD13  LEU  56          HD13      LEU  56   6.434 -35.387  16.505
  474   HD21  LEU  56          HD21      LEU  56   5.340 -36.156  19.797
  475   HD22  LEU  56          HD22      LEU  56   7.102 -36.136  19.753
  476   HD23  LEU  56          HD23      LEU  56   6.193 -36.800  18.398
  477    H    TYR  57           HN       TYR  57   6.511 -30.831  20.610
  478    HA   TYR  57           HA       TYR  57   8.560 -30.841  22.595
  479    HB2  TYR  57           HB2      TYR  57   7.039 -28.747  21.074
  480    HB3  TYR  57           HB1      TYR  57   8.010 -28.251  22.460
  481    HD1  TYR  57           HD2      TYR  57   8.379 -30.674  19.600
  482    HD2  TYR  57           HD1      TYR  57  10.154 -27.510  21.904
  483    HE1  TYR  57           HE2      TYR  57  10.428 -30.808  18.210
  484    HE2  TYR  57           HE1      TYR  57  12.201 -27.646  20.514
  485    HH   TYR  57           HH       TYR  57  13.074 -30.097  18.768
  486    H    GLU  58           HN       GLU  58   5.120 -30.013  22.607
  487    HA   GLU  58           HA       GLU  58   5.150 -29.198  25.376
  488    HB2  GLU  58           HB2      GLU  58   2.880 -29.723  23.448
  489    HB3  GLU  58           HB1      GLU  58   2.671 -29.108  25.088
  490    HG2  GLU  58           HG2      GLU  58   4.370 -27.769  22.966
  491    HG3  GLU  58           HG1      GLU  58   2.720 -27.294  23.365
  492    H    GLU  59           HN       GLU  59   4.709 -32.162  23.642
  493    HA   GLU  59           HA       GLU  59   3.457 -33.484  25.923
  494    HB2  GLU  59           HB2      GLU  59   2.714 -34.067  23.647
  495    HB3  GLU  59           HB1      GLU  59   4.342 -34.635  23.271
  496    HG2  GLU  59           HG2      GLU  59   4.193 -36.377  24.928
  497    HG3  GLU  59           HG1      GLU  59   2.677 -35.729  25.552
  498    H    SER  60           HN       SER  60   6.591 -32.821  24.759
  499    HA   SER  60           HA       SER  60   8.078 -35.054  25.371
  500    HB2  SER  60           HB2      SER  60   9.941 -33.505  25.838
  501    HB3  SER  60           HB1      SER  60   9.039 -33.015  24.406
  502    HG   SER  60           HG       SER  60   7.867 -31.579  25.804
  503    H    GLN  61           HN       GLN  61   7.565 -32.349  27.677
  504    HA   GLN  61           HA       GLN  61   7.942 -34.277  29.901
  505    HB2  GLN  61           HB2      GLN  61   9.338 -31.901  29.395
  506    HB3  GLN  61           HB1      GLN  61   8.216 -31.458  30.676
  507    HG2  GLN  61           HG2      GLN  61  10.169 -33.782  30.724
  508    HG3  GLN  61           HG1      GLN  61  10.284 -32.298  31.670
  509   HE21  GLN  61          HE21      GLN  61   9.805 -35.293  32.416
  510   HE22  GLN  61          HE22      GLN  61   8.469 -35.218  33.461
  511    HA   PRO  62           HA       PRO  62   4.095 -31.895  31.085
  512    HB2  PRO  62           HB2      PRO  62   3.338 -29.682  29.706
  513    HB3  PRO  62           HB1      PRO  62   4.687 -29.654  30.859
  514    HG2  PRO  62           HG2      PRO  62   4.758 -29.515  27.914
  515    HG3  PRO  62           HG1      PRO  62   5.976 -29.019  29.097
  516    HD2  PRO  62           HD2      PRO  62   5.890 -31.528  27.573
  517    HD3  PRO  62           HD1      PRO  62   7.154 -30.934  28.664
  518    H    SER  63           HN       SER  63   3.357 -33.952  30.058
  519    HA   SER  63           HA       SER  63   1.939 -33.941  27.570
  520    HB2  SER  63           HB2      SER  63   1.814 -35.864  29.900
  521    HB3  SER  63           HB1      SER  63   1.167 -36.165  28.291
  522    HG   SER  63           HG       SER  63   3.727 -35.330  28.152
  523    H    SER  64           HN       SER  64   0.972 -33.801  30.993
  524    HA   SER  64           HA       SER  64  -1.715 -32.874  30.122
  525    HB2  SER  64           HB2      SER  64  -2.609 -33.891  32.173
  526    HB3  SER  64           HB1      SER  64  -1.846 -35.096  31.142
  527    HG   SER  64           HG       SER  64  -1.039 -34.040  33.599
  528    H    GLU  65           HN       GLU  65   1.096 -31.785  31.309
  529    HA   GLU  65           HA       GLU  65   0.075 -30.188  33.517
  530    HB2  GLU  65           HB2      GLU  65   2.360 -31.170  33.547
  531    HB3  GLU  65           HB1      GLU  65   2.801 -30.131  32.196
  532    HG2  GLU  65           HG2      GLU  65   3.528 -28.994  34.169
  533    HG3  GLU  65           HG1      GLU  65   2.065 -28.160  33.653
  534    H    ARG  66           HN       ARG  66   2.268 -28.854  31.148
  535    HA   ARG  66           HA       ARG  66   0.717 -26.443  30.973
  536    HB2  ARG  66           HB2      ARG  66   3.235 -27.308  29.537
  537    HB3  ARG  66           HB1      ARG  66   2.547 -25.684  29.499
  538    HG2  ARG  66           HG2      ARG  66   2.803 -25.479  31.922
  539    HG3  ARG  66           HG1      ARG  66   3.408 -27.134  32.017
  540    HD2  ARG  66           HD2      ARG  66   5.303 -25.616  32.039
  541    HD3  ARG  66           HD1      ARG  66   5.290 -26.483  30.506
  542    HE   ARG  66           HE       ARG  66   3.856 -24.033  30.274
  543   HH11  ARG  66          HH21      ARG  66   7.034 -25.375  30.551
  544   HH12  ARG  66          HH22      ARG  66   7.803 -24.087  29.686
  545   HH21  ARG  66          HH11      ARG  66   4.857 -22.341  29.140
  546   HH22  ARG  66          HH12      ARG  66   6.569 -22.369  28.886
  547    H    LEU  67           HN       LEU  67   0.739 -29.388  29.271
  548    HA   LEU  67           HA       LEU  67   0.291 -28.678  26.636
  549    HB2  LEU  67           HB2      LEU  67   0.420 -31.034  27.516
  550    HB3  LEU  67           HB1      LEU  67  -1.225 -30.844  28.116
  551    HG   LEU  67           HG       LEU  67  -1.966 -30.309  25.782
  552   HD11  LEU  67          HD11      LEU  67  -0.158 -31.250  24.046
  553   HD12  LEU  67          HD12      LEU  67   0.967 -30.692  25.280
  554   HD13  LEU  67          HD13      LEU  67  -0.164 -29.561  24.539
  555   HD21  LEU  67          HD21      LEU  67  -2.045 -32.626  26.789
  556   HD22  LEU  67          HD22      LEU  67  -0.525 -32.970  25.961
  557   HD23  LEU  67          HD23      LEU  67  -1.975 -32.602  25.030
  558    H    ASN  68           HN       ASN  68  -1.986 -28.702  29.353
  559    HA   ASN  68           HA       ASN  68  -4.309 -28.075  27.870
  560    HB2  ASN  68           HB2      ASN  68  -3.562 -27.547  30.753
  561    HB3  ASN  68           HB1      ASN  68  -5.162 -27.227  30.087
  562   HD21  ASN  68          HD21      ASN  68  -4.383 -29.800  28.288
  563   HD22  ASN  68          HD22      ASN  68  -4.882 -31.066  29.303
  564    H    ALA  69           HN       ALA  69  -1.848 -26.041  29.419
  565    HA   ALA  69           HA       ALA  69  -3.144 -23.561  28.871
  566    HB1  ALA  69           HB1      ALA  69  -1.421 -23.768  30.604
  567    HB2  ALA  69           HB2      ALA  69  -0.951 -22.563  29.405
  568    HB3  ALA  69           HB3      ALA  69  -0.220 -24.168  29.375
  569    H    PHE  70           HN       PHE  70  -0.727 -25.507  27.180
  570    HA   PHE  70           HA       PHE  70  -0.350 -23.586  25.063
  571    HB2  PHE  70           HB2      PHE  70   0.581 -26.413  25.547
  572    HB3  PHE  70           HB1      PHE  70   0.815 -25.646  23.977
  573    HD1  PHE  70           HD2      PHE  70   1.838 -23.227  24.030
  574    HD2  PHE  70           HD1      PHE  70   2.209 -26.077  27.221
  575    HE1  PHE  70           HE2      PHE  70   3.814 -22.004  24.891
  576    HE2  PHE  70           HE1      PHE  70   4.190 -24.851  28.079
  577    HZ   PHE  70           HZ       PHE  70   4.989 -22.815  26.917
  578    H    ARG  71           HN       ARG  71  -2.659 -25.973  25.800
  579    HA   ARG  71           HA       ARG  71  -3.422 -26.987  23.336
  580    HB2  ARG  71           HB2      ARG  71  -4.427 -27.643  25.508
  581    HB3  ARG  71           HB1      ARG  71  -5.275 -26.098  25.554
  582    HG2  ARG  71           HG2      ARG  71  -6.461 -26.635  23.497
  583    HG3  ARG  71           HG1      ARG  71  -5.550 -28.136  23.330
  584    HD2  ARG  71           HD2      ARG  71  -7.315 -27.492  25.704
  585    HD3  ARG  71           HD1      ARG  71  -7.846 -28.440  24.318
  586    HE   ARG  71           HE       ARG  71  -5.458 -29.563  25.311
  587   HH11  ARG  71          HH21      ARG  71  -8.765 -29.051  26.192
  588   HH12  ARG  71          HH22      ARG  71  -8.864 -30.469  27.182
  589   HH21  ARG  71          HH11      ARG  71  -5.580 -31.423  26.607
  590   HH22  ARG  71          HH12      ARG  71  -7.061 -31.812  27.417
  591    H    GLU  72           HN       GLU  72  -3.897 -23.791  24.691
  592    HA   GLU  72           HA       GLU  72  -5.874 -22.854  22.910
  593    HB2  GLU  72           HB2      GLU  72  -3.641 -21.395  24.341
  594    HB3  GLU  72           HB1      GLU  72  -4.932 -20.588  23.450
  595    HG2  GLU  72           HG2      GLU  72  -6.613 -21.616  24.897
  596    HG3  GLU  72           HG1      GLU  72  -5.359 -22.508  25.755
  597    H    LEU  73           HN       LEU  73  -2.330 -22.891  22.730
  598    HA   LEU  73           HA       LEU  73  -2.142 -21.501  20.268
  599    HB2  LEU  73           HB2      LEU  73  -0.312 -22.203  22.080
  600    HB3  LEU  73           HB1      LEU  73  -0.115 -23.586  21.013
  601    HG   LEU  73           HG       LEU  73   1.462 -21.874  20.345
  602   HD11  LEU  73          HD11      LEU  73   1.006 -21.803  18.047
  603   HD12  LEU  73          HD12      LEU  73  -0.734 -21.650  18.297
  604   HD13  LEU  73          HD13      LEU  73   0.068 -23.192  18.598
  605   HD21  LEU  73          HD21      LEU  73  -0.355 -20.033  21.267
  606   HD22  LEU  73          HD22      LEU  73  -0.567 -19.858  19.527
  607   HD23  LEU  73          HD23      LEU  73   1.025 -19.640  20.248
  608    H    ARG  74           HN       ARG  74  -2.377 -24.931  21.108
  609    HA   ARG  74           HA       ARG  74  -2.073 -25.976  18.499
  610    HB2  ARG  74           HB2      ARG  74  -3.454 -27.059  20.962
  611    HB3  ARG  74           HB1      ARG  74  -3.255 -27.982  19.471
  612    HG2  ARG  74           HG2      ARG  74  -0.831 -27.771  19.610
  613    HG3  ARG  74           HG1      ARG  74  -0.977 -26.735  21.032
  614    HD2  ARG  74           HD2      ARG  74  -0.451 -29.038  21.702
  615    HD3  ARG  74           HD1      ARG  74  -2.056 -28.579  22.264
  616    HE   ARG  74           HE       ARG  74  -2.225 -29.835  19.716
  617   HH11  ARG  74          HH21      ARG  74  -1.633 -30.429  23.069
  618   HH12  ARG  74          HH22      ARG  74  -2.212 -32.061  23.026
  619   HH21  ARG  74          HH11      ARG  74  -2.991 -31.976  19.652
  620   HH22  ARG  74          HH12      ARG  74  -2.983 -32.935  21.093
  621    H    THR  75           HN       THR  75  -4.821 -24.766  20.311
  622    HA   THR  75           HA       THR  75  -6.881 -25.651  18.647
  623    HB   THR  75           HB       THR  75  -6.710 -23.143  20.252
  624    HG1  THR  75           HG1      THR  75  -6.777 -24.543  21.800
  625   HG21  THR  75          HG21      THR  75  -8.996 -24.575  18.936
  626   HG22  THR  75          HG22      THR  75  -8.495 -22.901  18.703
  627   HG23  THR  75          HG23      THR  75  -9.229 -23.398  20.228
  628    H    GLN  76           HN       GLN  76  -4.869 -22.739  18.505
  629    HA   GLN  76           HA       GLN  76  -6.174 -21.463  16.382
  630    HB2  GLN  76           HB2      GLN  76  -4.177 -20.720  17.952
  631    HB3  GLN  76           HB1      GLN  76  -3.180 -21.343  16.641
  632    HG2  GLN  76           HG2      GLN  76  -5.340 -19.230  16.385
  633    HG3  GLN  76           HG1      GLN  76  -3.604 -18.952  16.325
  634   HE21  GLN  76          HE21      GLN  76  -6.116 -19.030  14.280
  635   HE22  GLN  76          HE22      GLN  76  -5.389 -19.721  12.911
  636    H    LEU  77           HN       LEU  77  -3.490 -23.802  16.378
  637    HA   LEU  77           HA       LEU  77  -3.137 -23.874  13.564
  638    HB2  LEU  77           HB2      LEU  77  -2.603 -26.151  15.483
  639    HB3  LEU  77           HB1      LEU  77  -1.801 -25.827  13.948
  640    HG   LEU  77           HG       LEU  77  -1.616 -24.202  16.494
  641   HD11  LEU  77          HD11      LEU  77   0.809 -24.702  16.229
  642   HD12  LEU  77          HD12      LEU  77   0.407 -25.733  14.857
  643   HD13  LEU  77          HD13      LEU  77  -0.176 -26.146  16.466
  644   HD21  LEU  77          HD21      LEU  77  -0.749 -23.553  13.671
  645   HD22  LEU  77          HD22      LEU  77   0.041 -22.829  15.071
  646   HD23  LEU  77          HD23      LEU  77  -1.675 -22.549  14.788
  647    H    GLU  78           HN       GLU  78  -5.122 -25.756  15.801
  648    HA   GLU  78           HA       GLU  78  -6.098 -27.616  13.894
  649    HB2  GLU  78           HB2      GLU  78  -6.204 -27.918  16.373
  650    HB3  GLU  78           HB1      GLU  78  -7.446 -26.665  16.432
  651    HG2  GLU  78           HG2      GLU  78  -8.880 -27.992  14.941
  652    HG3  GLU  78           HG1      GLU  78  -7.636 -29.237  14.841
  653    H    LYS  79           HN       LYS  79  -7.311 -24.499  15.083
  654    HA   LYS  79           HA       LYS  79  -9.747 -24.553  13.619
  655    HB2  LYS  79           HB2      LYS  79  -9.337 -23.090  15.592
  656    HB3  LYS  79           HB1      LYS  79  -8.198 -22.154  14.622
  657    HG2  LYS  79           HG2      LYS  79  -9.973 -21.577  13.038
  658    HG3  LYS  79           HG1      LYS  79 -11.118 -22.582  13.928
  659    HD2  LYS  79           HD2      LYS  79 -11.430 -20.253  14.579
  660    HD3  LYS  79           HD1      LYS  79 -10.765 -21.153  15.939
  661    HE2  LYS  79           HE2      LYS  79  -8.812 -19.840  14.084
  662    HE3  LYS  79           HE1      LYS  79  -9.728 -18.803  15.179
  663    HZ1  LYS  79           HZ1      LYS  79  -8.408 -19.419  16.820
  664    HZ2  LYS  79           HZ2      LYS  79  -7.527 -20.423  15.771
  665    HZ3  LYS  79           HZ3      LYS  79  -8.865 -21.040  16.617
  666    H    ALA  80           HN       ALA  80  -6.579 -23.056  13.047
  667    HA   ALA  80           HA       ALA  80  -7.266 -21.872  10.577
  668    HB1  ALA  80           HB1      ALA  80  -5.244 -21.337  12.033
  669    HB2  ALA  80           HB2      ALA  80  -4.944 -21.444  10.298
  670    HB3  ALA  80           HB3      ALA  80  -4.501 -22.785  11.354
  671    H    LEU  81           HN       LEU  81  -5.905 -24.998  11.463
  672    HA   LEU  81           HA       LEU  81  -5.341 -25.904   8.845
  673    HB2  LEU  81           HB2      LEU  81  -4.373 -27.036  10.760
  674    HB3  LEU  81           HB1      LEU  81  -5.974 -27.445  11.374
  675    HG   LEU  81           HG       LEU  81  -6.402 -28.875   9.431
  676   HD11  LEU  81          HD11      LEU  81  -3.787 -27.712   8.483
  677   HD12  LEU  81          HD12      LEU  81  -5.308 -27.883   7.608
  678   HD13  LEU  81          HD13      LEU  81  -4.309 -29.300   7.919
  679   HD21  LEU  81          HD21      LEU  81  -5.324 -29.988  11.264
  680   HD22  LEU  81          HD22      LEU  81  -3.749 -29.339  10.812
  681   HD23  LEU  81          HD23      LEU  81  -4.529 -30.546   9.791
  682    H    GLY  82           HN       GLY  82  -8.232 -26.008  10.861
  683    HA2  GLY  82           HA2      GLY  82  -9.747 -27.771   9.264
  684    HA3  GLY  82           HA1      GLY  82 -10.413 -26.578  10.379
  685    H    LEU  83           HN       LEU  83  -9.031 -24.358   8.988
  686    HA   LEU  83           HA       LEU  83  -9.555 -22.787   7.398
  687    HB2  LEU  83           HB2      LEU  83  -9.806 -25.316   5.760
  688    HB3  LEU  83           HB1      LEU  83  -9.802 -23.696   5.068
  689    HG   LEU  83           HG       LEU  83  -7.576 -24.754   6.839
  690   HD11  LEU  83          HD11      LEU  83  -7.943 -24.861   3.841
  691   HD12  LEU  83          HD12      LEU  83  -7.529 -26.176   4.940
  692   HD13  LEU  83          HD13      LEU  83  -6.344 -24.919   4.585
  693   HD21  LEU  83          HD21      LEU  83  -6.358 -22.885   5.439
  694   HD22  LEU  83          HD22      LEU  83  -7.370 -22.411   6.797
  695   HD23  LEU  83          HD23      LEU  83  -7.989 -22.281   5.152
  696    H    GLU  84           HN       GLU  84 -11.648 -23.384   9.094
  697    HA   GLU  84           HA       GLU  84 -14.076 -24.012   7.772
  698    HB2  GLU  84           HB2      GLU  84 -15.155 -23.042   9.761
  699    HB3  GLU  84           HB1      GLU  84 -13.831 -24.114  10.218
  700    HG2  GLU  84           HG2      GLU  84 -12.337 -22.137  10.437
  701    HG3  GLU  84           HG1      GLU  84 -13.702 -21.086  10.061
  702    H    HIS  85           HN       HIS  85 -15.660 -22.687   6.905
  703    HA   HIS  85           HA       HIS  85 -16.410 -20.933   5.616
  704    HB2  HIS  85           HB2      HIS  85 -15.211 -19.469   7.974
  705    HB3  HIS  85           HB1      HIS  85 -16.202 -18.691   6.739
  706    HD2  HIS  85           HD2      HIS  85 -18.964 -19.451   6.776
  707    HE1  HIS  85           HE1      HIS  85 -18.742 -21.590  10.409
  708    HE2  HIS  85           HE2      HIS  85 -20.323 -20.625   8.671
  709    H    HIS  86           HN       HIS  86 -14.850 -21.473   3.940
  710    HA   HIS  86           HA       HIS  86 -13.184 -19.192   3.279
  711    HB2  HIS  86           HB2      HIS  86 -11.691 -20.623   4.684
  712    HB3  HIS  86           HB1      HIS  86 -11.917 -21.930   3.522
  713    HD2  HIS  86           HD2      HIS  86  -9.893 -18.622   3.867
  714    HE1  HIS  86           HE1      HIS  86  -9.086 -20.202   0.036
  715    HE2  HIS  86           HE2      HIS  86  -8.413 -18.428   1.724
  716    H    HIS  87           HN       HIS  87 -13.989 -18.816   1.304
  717    HA   HIS  87           HA       HIS  87 -13.679 -20.832  -0.765
  718    HB2  HIS  87           HB2      HIS  87 -16.077 -20.544  -1.515
  719    HB3  HIS  87           HB1      HIS  87 -15.867 -21.467  -0.025
  720    HD2  HIS  87           HD2      HIS  87 -17.125 -20.366   2.202
  721    HE1  HIS  87           HE1      HIS  87 -18.246 -16.696   0.442
  722    HE2  HIS  87           HE2      HIS  87 -18.470 -18.150   2.512
  723    H    HIS  88           HN       HIS  88 -13.707 -19.953  -2.875
  724    HA   HIS  88           HA       HIS  88 -14.156 -17.070  -3.179
  725    HB2  HIS  88           HB2      HIS  88 -11.498 -18.386  -3.792
  726    HB3  HIS  88           HB1      HIS  88 -11.936 -16.725  -4.191
  727    HD2  HIS  88           HD2      HIS  88 -10.691 -18.765  -1.136
  728    HE1  HIS  88           HE1      HIS  88 -11.596 -14.883   0.254
  729    HE2  HIS  88           HE2      HIS  88 -10.518 -17.099   0.867
  730    H    HIS  89           HN       HIS  89 -14.479 -16.415  -5.316
  731    HA   HIS  89           HA       HIS  89 -15.484 -18.484  -7.060
  732    HB2  HIS  89           HB2      HIS  89 -15.311 -15.478  -7.325
  733    HB3  HIS  89           HB1      HIS  89 -16.068 -16.528  -8.524
  734    HD2  HIS  89           HD2      HIS  89 -17.042 -18.202  -5.370
  735    HE1  HIS  89           HE1      HIS  89 -19.940 -15.162  -5.782
  736    HE2  HIS  89           HE2      HIS  89 -19.360 -17.315  -4.567
  737    H    HIS  90           HN       HIS  90 -14.055 -15.875  -8.750
  738    HA   HIS  90           HA       HIS  90 -12.379 -17.686 -10.241
  739    HB2  HIS  90           HB2      HIS  90 -12.613 -14.671 -10.395
  740    HB3  HIS  90           HB1      HIS  90 -11.788 -15.700 -11.565
  741    HD2  HIS  90           HD2      HIS  90 -15.295 -14.324 -10.962
  742    HE1  HIS  90           HE1      HIS  90 -15.781 -17.609 -13.571
  743    HE2  HIS  90           HE2      HIS  90 -16.938 -15.593 -12.547
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  -1.412 -13.735  11.453
    2    H2   MET   1           HT2      MET   1  -1.472 -12.083  11.843
    3    H3   MET   1           HT3      MET   1  -1.871 -12.605  10.276
    4    HA   MET   1           HA       MET   1  -3.471 -12.583  12.691
    5    HB2  MET   1           HB2      MET   1  -4.008 -12.547   9.709
    6    HB3  MET   1           HB1      MET   1  -5.270 -12.445  10.936
    7    HG2  MET   1           HG2      MET   1  -4.254 -10.408  11.847
    8    HG3  MET   1           HG1      MET   1  -2.939 -10.525  10.679
    9    HE1  MET   1           HE1      MET   1  -6.533 -10.435  11.364
   10    HE2  MET   1           HE2      MET   1  -6.985 -11.149   9.820
   11    HE3  MET   1           HE3      MET   1  -7.298  -9.442  10.117
   12    H    GLY   2           HN       GLY   2  -2.370 -14.838  13.139
   13    HA2  GLY   2           HA2      GLY   2  -4.369 -16.853  12.447
   14    HA3  GLY   2           HA1      GLY   2  -2.718 -17.193  11.931
   15    H    VAL   3           HN       VAL   3  -1.033 -16.940  13.711
   16    HA   VAL   3           HA       VAL   3  -2.096 -17.958  16.295
   17    HB   VAL   3           HB       VAL   3   0.051 -19.255  16.439
   18   HG11  VAL   3          HG11      VAL   3  -1.928 -20.457  15.853
   19   HG12  VAL   3          HG12      VAL   3  -0.701 -20.952  14.688
   20   HG13  VAL   3          HG13      VAL   3  -1.937 -19.783  14.224
   21   HG21  VAL   3          HG21      VAL   3   1.211 -19.674  14.267
   22   HG22  VAL   3          HG22      VAL   3   1.368 -18.006  14.800
   23   HG23  VAL   3          HG23      VAL   3   0.222 -18.417  13.528
   24    H    TRP   4           HN       TRP   4  -1.503 -16.870  18.041
   25    HA   TRP   4           HA       TRP   4   0.848 -15.063  17.888
   26    HB2  TRP   4           HB2      TRP   4  -1.846 -14.536  19.160
   27    HB3  TRP   4           HB1      TRP   4  -0.430 -13.497  19.329
   28    HD1  TRP   4           HD1      TRP   4  -2.954 -14.731  16.734
   29    HE1  TRP   4           HE1      TRP   4  -2.889 -13.154  14.695
   30    HE3  TRP   4           HE3      TRP   4   1.014 -11.784  18.022
   31    HZ2  TRP   4           HZ2      TRP   4  -1.360 -10.936  13.738
   32    HZ3  TRP   4           HZ3      TRP   4   1.751  -9.947  16.530
   33    HH2  TRP   4           HH2      TRP   4   0.571  -9.520  14.391
   34    H    THR   5           HN       THR   5   2.300 -16.108  19.096
   35    HA   THR   5           HA       THR   5   1.805 -16.391  21.924
   36    HB   THR   5           HB       THR   5   2.588 -18.796  21.945
   37    HG1  THR   5           HG1      THR   5   1.734 -18.892  19.277
   38   HG21  THR   5          HG21      THR   5   0.408 -19.680  21.647
   39   HG22  THR   5          HG22      THR   5   0.009 -18.499  20.404
   40   HG23  THR   5          HG23      THR   5   0.142 -17.994  22.088
   41    HA   PRO   6           HA       PRO   6   6.215 -15.629  20.229
   42    HB2  PRO   6           HB2      PRO   6   6.344 -12.918  20.594
   43    HB3  PRO   6           HB1      PRO   6   5.762 -13.656  19.089
   44    HG2  PRO   6           HG2      PRO   6   4.179 -12.590  21.387
   45    HG3  PRO   6           HG1      PRO   6   3.940 -12.332  19.651
   46    HD2  PRO   6           HD2      PRO   6   2.467 -14.142  21.014
   47    HD3  PRO   6           HD1      PRO   6   2.983 -14.426  19.334
   48    H    GLU   7           HN       GLU   7   7.935 -14.255  21.582
   49    HA   GLU   7           HA       GLU   7   8.284 -15.326  24.064
   50    HB2  GLU   7           HB2      GLU   7   9.102 -12.588  23.078
   51    HB3  GLU   7           HB1      GLU   7   9.686 -13.297  24.585
   52    HG2  GLU   7           HG2      GLU   7  10.627 -15.194  23.365
   53    HG3  GLU   7           HG1      GLU   7   9.973 -14.573  21.852
   54    H    VAL   8           HN       VAL   8   5.945 -13.001  23.179
   55    HA   VAL   8           HA       VAL   8   5.557 -11.597  25.580
   56    HB   VAL   8           HB       VAL   8   3.465 -12.466  23.576
   57   HG11  VAL   8          HG11      VAL   8   2.403 -11.674  25.574
   58   HG12  VAL   8          HG12      VAL   8   2.336 -10.358  24.404
   59   HG13  VAL   8          HG13      VAL   8   3.525 -10.321  25.705
   60   HG21  VAL   8          HG21      VAL   8   5.500 -11.185  22.693
   61   HG22  VAL   8          HG22      VAL   8   4.952  -9.835  23.686
   62   HG23  VAL   8          HG23      VAL   8   3.927 -10.447  22.387
   63    H    LEU   9           HN       LEU   9   4.213 -14.694  24.437
   64    HA   LEU   9           HA       LEU   9   2.476 -15.162  26.590
   65    HB2  LEU   9           HB2      LEU   9   2.465 -16.525  24.529
   66    HB3  LEU   9           HB1      LEU   9   4.046 -17.177  24.955
   67    HG   LEU   9           HG       LEU   9   3.099 -18.169  27.007
   68   HD11  LEU   9          HD11      LEU   9   1.317 -16.846  27.712
   69   HD12  LEU   9          HD12      LEU   9   0.454 -18.195  26.980
   70   HD13  LEU   9          HD13      LEU   9   0.649 -16.687  26.088
   71   HD21  LEU   9          HD21      LEU   9   1.577 -18.825  24.466
   72   HD22  LEU   9          HD22      LEU   9   1.655 -19.865  25.888
   73   HD23  LEU   9          HD23      LEU   9   3.119 -19.516  24.970
   74    H    LYS  10           HN       LYS  10   5.874 -16.124  26.115
   75    HA   LYS  10           HA       LYS  10   6.146 -17.358  28.659
   76    HB2  LYS  10           HB2      LYS  10   8.162 -16.276  26.690
   77    HB3  LYS  10           HB1      LYS  10   8.631 -17.038  28.208
   78    HG2  LYS  10           HG2      LYS  10   7.410 -19.070  27.574
   79    HG3  LYS  10           HG1      LYS  10   6.933 -18.309  26.053
   80    HD2  LYS  10           HD2      LYS  10   9.259 -18.103  25.376
   81    HD3  LYS  10           HD1      LYS  10   9.799 -18.739  26.932
   82    HE2  LYS  10           HE2      LYS  10   8.635 -20.849  26.475
   83    HE3  LYS  10           HE1      LYS  10   8.096 -20.219  24.925
   84    HZ1  LYS  10           HZ1      LYS  10  10.016 -21.502  24.507
   85    HZ2  LYS  10           HZ2      LYS  10  10.873 -20.782  25.785
   86    HZ3  LYS  10           HZ3      LYS  10  10.505 -19.883  24.392
   87    H    ALA  11           HN       ALA  11   6.776 -14.096  27.460
   88    HA   ALA  11           HA       ALA  11   7.992 -13.074  29.793
   89    HB1  ALA  11           HB1      ALA  11   7.976 -11.980  27.522
   90    HB2  ALA  11           HB2      ALA  11   7.578 -10.896  28.857
   91    HB3  ALA  11           HB3      ALA  11   6.298 -11.528  27.821
   92    H    ARG  12           HN       ARG  12   4.636 -13.472  28.835
   93    HA   ARG  12           HA       ARG  12   3.445 -11.856  30.815
   94    HB2  ARG  12           HB2      ARG  12   2.499 -14.226  29.213
   95    HB3  ARG  12           HB1      ARG  12   1.458 -13.490  30.427
   96    HG2  ARG  12           HG2      ARG  12   2.786 -11.748  28.353
   97    HG3  ARG  12           HG1      ARG  12   1.342 -12.662  27.924
   98    HD2  ARG  12           HD2      ARG  12   0.165 -11.630  29.868
   99    HD3  ARG  12           HD1      ARG  12   1.590 -10.646  30.181
  100    HE   ARG  12           HE       ARG  12  -0.297 -10.331  27.977
  101   HH11  ARG  12          HH21      ARG  12   2.784  -9.569  29.362
  102   HH12  ARG  12          HH22      ARG  12   2.975  -8.099  28.466
  103   HH21  ARG  12          HH11      ARG  12  -0.053  -8.414  26.803
  104   HH22  ARG  12          HH12      ARG  12   1.366  -7.444  27.015
  105    H    ALA  13           HN       ALA  13   4.361 -15.282  30.800
  106    HA   ALA  13           HA       ALA  13   3.456 -15.642  33.552
  107    HB1  ALA  13           HB1      ALA  13   4.247 -17.960  33.232
  108    HB2  ALA  13           HB2      ALA  13   4.885 -17.513  31.649
  109    HB3  ALA  13           HB3      ALA  13   3.148 -17.463  31.946
  110    H    SER  14           HN       SER  14   6.475 -15.518  31.732
  111    HA   SER  14           HA       SER  14   8.102 -15.807  34.129
  112    HB2  SER  14           HB2      SER  14   8.939 -15.240  31.275
  113    HB3  SER  14           HB1      SER  14   9.998 -15.703  32.604
  114    HG   SER  14           HG       SER  14   7.785 -17.262  31.771
  115    H    VAL  15           HN       VAL  15   6.313 -13.381  33.071
  116    HA   VAL  15           HA       VAL  15   6.286 -11.122  33.469
  117    HB   VAL  15           HB       VAL  15   8.960 -11.435  34.838
  118   HG11  VAL  15          HG11      VAL  15   6.659  -9.583  35.455
  119   HG12  VAL  15          HG12      VAL  15   7.948  -9.148  34.332
  120   HG13  VAL  15          HG13      VAL  15   8.323  -9.473  36.026
  121   HG21  VAL  15          HG21      VAL  15   6.165 -12.077  35.800
  122   HG22  VAL  15          HG22      VAL  15   7.477 -11.700  36.916
  123   HG23  VAL  15          HG23      VAL  15   7.595 -13.108  35.863
  124    H    ILE  16           HN       ILE  16   9.419 -12.418  32.451
  125    HA   ILE  16           HA       ILE  16   9.551 -10.368  30.348
  126    HB   ILE  16           HB       ILE  16  10.915  -9.591  32.279
  127   HG12  ILE  16          HG12      ILE  16  12.661 -10.483  29.972
  128   HG13  ILE  16          HG11      ILE  16  11.497  -9.163  29.836
  129   HG21  ILE  16          HG21      ILE  16  12.664 -11.994  31.705
  130   HG22  ILE  16          HG22      ILE  16  11.475 -11.972  33.008
  131   HG23  ILE  16          HG23      ILE  16  12.820 -10.832  33.022
  132   HD11  ILE  16          HD11      ILE  16  12.626  -7.862  31.483
  133   HD12  ILE  16          HD12      ILE  16  13.895  -8.493  30.433
  134   HD13  ILE  16          HD13      ILE  16  13.601  -9.236  32.005
  135    H    GLY  17           HN       GLY  17  10.244 -11.148  28.434
  136    HA2  GLY  17           HA2      GLY  17  10.450 -13.941  28.017
  137    HA3  GLY  17           HA1      GLY  17  10.846 -12.694  26.838
  138    H    LYS  18           HN       LYS  18  12.175 -15.287  27.839
  139    HA   LYS  18           HA       LYS  18  14.858 -14.437  27.453
  140    HB2  LYS  18           HB2      LYS  18  14.364 -13.713  29.867
  141    HB3  LYS  18           HB1      LYS  18  14.328 -15.434  30.252
  142    HG2  LYS  18           HG2      LYS  18  16.615 -15.581  29.095
  143    HG3  LYS  18           HG1      LYS  18  16.641 -13.818  29.168
  144    HD2  LYS  18           HD2      LYS  18  16.375 -15.704  31.528
  145    HD3  LYS  18           HD1      LYS  18  17.791 -14.733  31.124
  146    HE2  LYS  18           HE2      LYS  18  16.714 -13.435  32.761
  147    HE3  LYS  18           HE1      LYS  18  16.154 -12.706  31.258
  148    HZ1  LYS  18           HZ1      LYS  18  14.573 -13.666  33.249
  149    HZ2  LYS  18           HZ2      LYS  18  14.533 -14.914  32.098
  150    HZ3  LYS  18           HZ3      LYS  18  14.074 -13.338  31.662
  151    HA   PRO  19           HA       PRO  19  13.580 -18.996  27.057
  152    HB2  PRO  19           HB2      PRO  19  13.718 -19.121  24.309
  153    HB3  PRO  19           HB1      PRO  19  12.233 -18.740  25.203
  154    HG2  PRO  19           HG2      PRO  19  14.170 -16.884  23.892
  155    HG3  PRO  19           HG1      PRO  19  12.396 -16.851  23.883
  156    HD2  PRO  19           HD2      PRO  19  13.836 -15.222  25.500
  157    HD3  PRO  19           HD1      PRO  19  12.271 -15.895  26.012
  158    H    ILE  20           HN       ILE  20  15.088 -20.620  26.848
  159    HA   ILE  20           HA       ILE  20  17.857 -19.788  26.502
  160    HB   ILE  20           HB       ILE  20  16.932 -22.599  27.096
  161   HG12  ILE  20          HG12      ILE  20  17.475 -21.463  29.593
  162   HG13  ILE  20          HG11      ILE  20  16.600 -20.159  28.785
  163   HG21  ILE  20          HG21      ILE  20  19.338 -22.036  26.586
  164   HG22  ILE  20          HG22      ILE  20  19.087 -22.780  28.164
  165   HG23  ILE  20          HG23      ILE  20  19.358 -21.041  28.041
  166   HD11  ILE  20          HD11      ILE  20  14.886 -21.432  29.790
  167   HD12  ILE  20          HD12      ILE  20  15.661 -22.967  29.396
  168   HD13  ILE  20          HD13      ILE  20  14.888 -22.022  28.127
  169    H    GLY  21           HN       GLY  21  19.033 -20.123  24.711
  170    HA2  GLY  21           HA2      GLY  21  17.896 -20.991  22.299
  171    HA3  GLY  21           HA1      GLY  21  19.626 -20.848  22.604
  172    H    GLU  22           HN       GLU  22  17.095 -22.980  21.998
  173    HA   GLU  22           HA       GLU  22  18.769 -25.264  21.910
  174    HB2  GLU  22           HB2      GLU  22  18.514 -25.054  24.403
  175    HB3  GLU  22           HB1      GLU  22  16.778 -25.268  24.197
  176    HG2  GLU  22           HG2      GLU  22  17.062 -27.486  23.346
  177    HG3  GLU  22           HG1      GLU  22  18.800 -27.266  23.152
  178    H    SER  23           HN       SER  23  17.462 -27.273  21.473
  179    HA   SER  23           HA       SER  23  15.711 -26.953  19.375
  180    HB2  SER  23           HB2      SER  23  15.704 -29.215  21.389
  181    HB3  SER  23           HB1      SER  23  15.017 -29.273  19.768
  182    HG   SER  23           HG       SER  23  17.036 -29.121  18.912
  183    H    TYR  24           HN       TYR  24  15.061 -26.763  22.813
  184    HA   TYR  24           HA       TYR  24  12.249 -27.066  22.710
  185    HB2  TYR  24           HB2      TYR  24  14.051 -25.619  24.660
  186    HB3  TYR  24           HB1      TYR  24  12.311 -25.790  24.890
  187    HD1  TYR  24           HD2      TYR  24  11.303 -28.136  24.894
  188    HD2  TYR  24           HD1      TYR  24  15.523 -27.398  25.209
  189    HE1  TYR  24           HE2      TYR  24  11.635 -30.419  25.804
  190    HE2  TYR  24           HE1      TYR  24  15.855 -29.682  26.117
  191    HH   TYR  24           HH       TYR  24  13.401 -32.071  26.022
  192    H    LYS  25           HN       LYS  25  14.375 -24.265  22.357
  193    HA   LYS  25           HA       LYS  25  12.299 -22.316  22.250
  194    HB2  LYS  25           HB2      LYS  25  14.676 -21.790  22.774
  195    HB3  LYS  25           HB1      LYS  25  15.102 -22.174  21.106
  196    HG2  LYS  25           HG2      LYS  25  13.710 -20.376  20.274
  197    HG3  LYS  25           HG1      LYS  25  13.076 -20.060  21.888
  198    HD2  LYS  25           HD2      LYS  25  15.360 -19.447  22.634
  199    HD3  LYS  25           HD1      LYS  25  15.963 -19.742  21.003
  200    HE2  LYS  25           HE2      LYS  25  14.468 -18.001  20.119
  201    HE3  LYS  25           HE1      LYS  25  13.833 -17.714  21.737
  202    HZ1  LYS  25           HZ1      LYS  25  15.481 -16.285  22.025
  203    HZ2  LYS  25           HZ2      LYS  25  16.203 -16.719  20.548
  204    HZ3  LYS  25           HZ3      LYS  25  16.575 -17.579  21.964
  205    H    ARG  26           HN       ARG  26  13.047 -24.784  20.157
  206    HA   ARG  26           HA       ARG  26  12.892 -23.629  17.616
  207    HB2  ARG  26           HB2      ARG  26  13.515 -25.982  18.054
  208    HB3  ARG  26           HB1      ARG  26  11.843 -26.322  18.499
  209    HG2  ARG  26           HG2      ARG  26  11.084 -25.671  16.258
  210    HG3  ARG  26           HG1      ARG  26  12.740 -25.269  15.802
  211    HD2  ARG  26           HD2      ARG  26  12.115 -27.510  14.981
  212    HD3  ARG  26           HD1      ARG  26  13.417 -27.606  16.167
  213    HE   ARG  26           HE       ARG  26  11.949 -28.672  17.641
  214   HH11  ARG  26          HH21      ARG  26  10.294 -27.357  14.902
  215   HH12  ARG  26          HH22      ARG  26   8.799 -28.162  15.246
  216   HH21  ARG  26          HH11      ARG  26   9.997 -29.727  18.101
  217   HH22  ARG  26          HH12      ARG  26   8.630 -29.499  17.065
  218    H    ILE  27           HN       ILE  27  10.356 -24.756  19.821
  219    HA   ILE  27           HA       ILE  27   8.215 -24.328  18.054
  220    HB   ILE  27           HB       ILE  27   6.780 -24.514  19.975
  221   HG12  ILE  27          HG12      ILE  27   9.290 -23.799  21.519
  222   HG13  ILE  27          HG11      ILE  27   7.753 -22.940  21.503
  223   HG21  ILE  27          HG21      ILE  27   8.222 -26.503  19.202
  224   HG22  ILE  27          HG22      ILE  27   7.498 -26.617  20.807
  225   HG23  ILE  27          HG23      ILE  27   9.201 -26.193  20.638
  226   HD11  ILE  27          HD11      ILE  27   6.730 -25.106  22.458
  227   HD12  ILE  27          HD12      ILE  27   7.717 -24.128  23.546
  228   HD13  ILE  27          HD13      ILE  27   8.392 -25.582  22.809
  229    H    LEU  28           HN       LEU  28   9.686 -22.273  20.521
  230    HA   LEU  28           HA       LEU  28   7.916 -20.090  20.216
  231    HB2  LEU  28           HB2      LEU  28   9.784 -20.649  22.028
  232    HB3  LEU  28           HB1      LEU  28  10.793 -19.663  20.981
  233    HG   LEU  28           HG       LEU  28   9.827 -18.222  22.666
  234   HD11  LEU  28          HD11      LEU  28   9.938 -17.501  20.203
  235   HD12  LEU  28          HD12      LEU  28   8.912 -16.549  21.271
  236   HD13  LEU  28          HD13      LEU  28   8.190 -17.726  20.181
  237   HD21  LEU  28          HD21      LEU  28   7.689 -18.367  23.445
  238   HD22  LEU  28          HD22      LEU  28   7.667 -19.948  22.673
  239   HD23  LEU  28          HD23      LEU  28   6.995 -18.555  21.837
  240    H    ALA  29           HN       ALA  29  11.174 -20.658  18.884
  241    HA   ALA  29           HA       ALA  29  11.251 -18.324  17.294
  242    HB1  ALA  29           HB1      ALA  29  13.215 -19.780  17.926
  243    HB2  ALA  29           HB2      ALA  29  13.159 -19.298  16.231
  244    HB3  ALA  29           HB3      ALA  29  12.668 -20.926  16.702
  245    H    LYS  30           HN       LYS  30   9.919 -21.510  16.784
  246    HA   LYS  30           HA       LYS  30   9.579 -21.390  13.991
  247    HB2  LYS  30           HB2      LYS  30   9.300 -23.496  15.080
  248    HB3  LYS  30           HB1      LYS  30   8.077 -22.852  16.170
  249    HG2  LYS  30           HG2      LYS  30   7.429 -22.561  13.269
  250    HG3  LYS  30           HG1      LYS  30   7.510 -24.224  13.839
  251    HD2  LYS  30           HD2      LYS  30   5.879 -22.067  15.225
  252    HD3  LYS  30           HD1      LYS  30   5.224 -23.166  14.024
  253    HE2  LYS  30           HE2      LYS  30   4.836 -24.637  15.714
  254    HE3  LYS  30           HE1      LYS  30   6.580 -24.811  15.902
  255    HZ1  LYS  30           HZ1      LYS  30   5.786 -22.392  17.078
  256    HZ2  LYS  30           HZ2      LYS  30   6.451 -23.766  17.826
  257    HZ3  LYS  30           HZ3      LYS  30   4.767 -23.620  17.654
  258    H    LEU  31           HN       LEU  31   7.608 -20.217  16.680
  259    HA   LEU  31           HA       LEU  31   5.278 -19.622  15.266
  260    HB2  LEU  31           HB2      LEU  31   5.948 -19.424  17.851
  261    HB3  LEU  31           HB1      LEU  31   6.206 -17.742  17.420
  262    HG   LEU  31           HG       LEU  31   3.928 -17.970  18.200
  263   HD11  LEU  31          HD11      LEU  31   2.798 -16.937  16.416
  264   HD12  LEU  31          HD12      LEU  31   3.653 -17.880  15.201
  265   HD13  LEU  31          HD13      LEU  31   4.495 -16.601  16.074
  266   HD21  LEU  31          HD21      LEU  31   3.044 -19.807  16.019
  267   HD22  LEU  31          HD22      LEU  31   2.522 -19.709  17.695
  268   HD23  LEU  31          HD23      LEU  31   4.008 -20.554  17.291
  269    H    GLN  32           HN       GLN  32   8.235 -17.720  15.730
  270    HA   GLN  32           HA       GLN  32   7.421 -15.331  14.567
  271    HB2  GLN  32           HB2      GLN  32  10.106 -16.719  14.477
  272    HB3  GLN  32           HB1      GLN  32   9.837 -15.053  13.967
  273    HG2  GLN  32           HG2      GLN  32   9.047 -14.451  16.192
  274    HG3  GLN  32           HG1      GLN  32   9.170 -16.129  16.721
  275   HE21  GLN  32          HE21      GLN  32  10.663 -14.768  18.354
  276   HE22  GLN  32          HE22      GLN  32  12.303 -14.708  17.924
  277    H    ARG  33           HN       ARG  33   8.610 -18.303  13.021
  278    HA   ARG  33           HA       ARG  33   8.670 -17.290  10.375
  279    HB2  ARG  33           HB2      ARG  33   9.805 -19.374  11.056
  280    HB3  ARG  33           HB1      ARG  33   8.234 -20.136  11.313
  281    HG2  ARG  33           HG2      ARG  33   7.661 -19.885   8.970
  282    HG3  ARG  33           HG1      ARG  33   9.122 -18.943   8.673
  283    HD2  ARG  33           HD2      ARG  33   9.449 -21.254   7.938
  284    HD3  ARG  33           HD1      ARG  33  10.497 -20.901   9.307
  285    HE   ARG  33           HE       ARG  33   8.046 -22.009  10.219
  286   HH11  ARG  33          HH21      ARG  33  10.974 -22.790   8.548
  287   HH12  ARG  33          HH22      ARG  33  10.994 -24.442   9.068
  288   HH21  ARG  33          HH11      ARG  33   8.067 -24.175  10.907
  289   HH22  ARG  33          HH12      ARG  33   9.349 -25.226  10.402
  290    H    ILE  34           HN       ILE  34   6.184 -19.074  12.185
  291    HA   ILE  34           HA       ILE  34   4.297 -19.187  10.065
  292    HB   ILE  34           HB       ILE  34   3.756 -19.212  13.044
  293   HG12  ILE  34          HG12      ILE  34   5.435 -20.900  12.512
  294   HG13  ILE  34          HG11      ILE  34   3.892 -21.696  12.792
  295   HG21  ILE  34          HG21      ILE  34   1.823 -20.665  12.258
  296   HG22  ILE  34          HG22      ILE  34   2.208 -20.147  10.618
  297   HG23  ILE  34          HG23      ILE  34   1.715 -18.959  11.822
  298   HD11  ILE  34          HD11      ILE  34   3.599 -21.482  10.195
  299   HD12  ILE  34          HD12      ILE  34   4.645 -22.738  10.833
  300   HD13  ILE  34          HD13      ILE  34   5.345 -21.260  10.193
  301    H    HIS  35           HN       HIS  35   4.811 -16.913  12.738
  302    HA   HIS  35           HA       HIS  35   2.592 -15.306  12.529
  303    HB2  HIS  35           HB2      HIS  35   4.351 -14.978  14.213
  304    HB3  HIS  35           HB1      HIS  35   5.452 -14.408  12.958
  305    HD2  HIS  35           HD2      HIS  35   2.565 -13.046  15.157
  306    HE1  HIS  35           HE1      HIS  35   3.561 -10.014  12.394
  307    HE2  HIS  35           HE2      HIS  35   2.226 -10.546  14.487
  308    H    ASN  36           HN       ASN  36   5.688 -14.651  10.853
  309    HA   ASN  36           HA       ASN  36   4.575 -12.687   9.128
  310    HB2  ASN  36           HB2      ASN  36   6.959 -12.737   9.612
  311    HB3  ASN  36           HB1      ASN  36   7.104 -14.328   8.866
  312   HD21  ASN  36          HD21      ASN  36   8.586 -13.488   7.218
  313   HD22  ASN  36          HD22      ASN  36   8.017 -12.509   5.953
  314    H    SER  37           HN       SER  37   5.236 -16.141   8.749
  315    HA   SER  37           HA       SER  37   4.217 -16.172   6.025
  316    HB2  SER  37           HB2      SER  37   5.056 -18.527   7.716
  317    HB3  SER  37           HB1      SER  37   4.920 -18.449   5.963
  318    HG   SER  37           HG       SER  37   6.505 -16.478   6.822
  319    H    ASN  38           HN       ASN  38   2.533 -15.578   8.498
  320    HA   ASN  38           HA       ASN  38   0.824 -17.565   9.252
  321    HB2  ASN  38           HB2      ASN  38  -0.921 -15.858   9.490
  322    HB3  ASN  38           HB1      ASN  38   0.633 -15.241  10.043
  323   HD21  ASN  38          HD21      ASN  38  -1.374 -13.412   9.237
  324   HD22  ASN  38          HD22      ASN  38  -0.907 -12.685   7.776
  325    H    ILE  39           HN       ILE  39  -0.335 -18.999   8.196
  326    HA   ILE  39           HA       ILE  39  -1.317 -20.101   6.422
  327    HB   ILE  39           HB       ILE  39  -2.804 -17.516   6.021
  328   HG12  ILE  39          HG12      ILE  39  -3.122 -19.508   8.250
  329   HG13  ILE  39          HG11      ILE  39  -2.590 -17.842   8.432
  330   HG21  ILE  39          HG21      ILE  39  -3.816 -20.357   6.103
  331   HG22  ILE  39          HG22      ILE  39  -3.226 -19.610   4.618
  332   HG23  ILE  39          HG23      ILE  39  -4.630 -18.937   5.448
  333   HD11  ILE  39          HD11      ILE  39  -4.780 -17.147   7.358
  334   HD12  ILE  39          HD12      ILE  39  -4.927 -17.863   8.963
  335   HD13  ILE  39          HD13      ILE  39  -5.305 -18.821   7.532
  336    H    LEU  40           HN       LEU  40   0.706 -20.050   5.154
  337    HA   LEU  40           HA       LEU  40   0.437 -18.325   2.750
  338    HB2  LEU  40           HB2      LEU  40   2.519 -18.204   4.518
  339    HB3  LEU  40           HB1      LEU  40   3.141 -19.397   3.389
  340    HG   LEU  40           HG       LEU  40   2.085 -16.646   2.648
  341   HD11  LEU  40          HD11      LEU  40   4.541 -16.343   1.982
  342   HD12  LEU  40          HD12      LEU  40   4.872 -17.791   2.932
  343   HD13  LEU  40          HD13      LEU  40   4.202 -16.359   3.711
  344   HD21  LEU  40          HD21      LEU  40   3.204 -17.288   0.427
  345   HD22  LEU  40          HD22      LEU  40   1.682 -18.090   0.796
  346   HD23  LEU  40          HD23      LEU  40   3.205 -18.940   1.033
  347    H    ASP  41           HN       ASP  41   0.304 -19.341   0.856
  348    HA   ASP  41           HA       ASP  41  -0.334 -21.936   0.465
  349    HB2  ASP  41           HB2      ASP  41   1.276 -20.135  -1.340
  350    HB3  ASP  41           HB1      ASP  41   0.629 -21.691  -1.857
  351    H    GLU  42           HN       GLU  42   2.879 -20.689   0.999
  352    HA   GLU  42           HA       GLU  42   4.191 -23.183   0.312
  353    HB2  GLU  42           HB2      GLU  42   5.223 -20.914  -0.035
  354    HB3  GLU  42           HB1      GLU  42   5.341 -20.768   1.717
  355    HG2  GLU  42           HG2      GLU  42   7.461 -21.601   0.948
  356    HG3  GLU  42           HG1      GLU  42   6.631 -22.955   1.710
  357    H    ARG  43           HN       ARG  43   3.889 -21.227   3.290
  358    HA   ARG  43           HA       ARG  43   4.918 -23.253   5.002
  359    HB2  ARG  43           HB2      ARG  43   4.646 -20.667   5.388
  360    HB3  ARG  43           HB1      ARG  43   3.042 -21.097   5.968
  361    HG2  ARG  43           HG2      ARG  43   4.163 -21.325   7.966
  362    HG3  ARG  43           HG1      ARG  43   4.486 -22.937   7.341
  363    HD2  ARG  43           HD2      ARG  43   6.305 -20.531   7.037
  364    HD3  ARG  43           HD1      ARG  43   6.550 -21.855   8.170
  365    HE   ARG  43           HE       ARG  43   6.478 -23.233   5.910
  366   HH11  ARG  43          HH21      ARG  43   7.960 -20.164   6.564
  367   HH12  ARG  43          HH22      ARG  43   9.234 -20.385   5.414
  368   HH21  ARG  43          HH11      ARG  43   8.153 -23.516   4.403
  369   HH22  ARG  43          HH12      ARG  43   9.344 -22.276   4.196
  370    H    GLN  44           HN       GLN  44   1.865 -22.806   3.530
  371    HA   GLN  44           HA       GLN  44   0.078 -23.907   5.351
  372    HB2  GLN  44           HB2      GLN  44   0.241 -23.818   2.359
  373    HB3  GLN  44           HB1      GLN  44  -0.964 -24.878   3.085
  374    HG2  GLN  44           HG2      GLN  44  -0.688 -21.962   3.843
  375    HG3  GLN  44           HG1      GLN  44  -1.767 -22.529   2.569
  376   HE21  GLN  44          HE21      GLN  44  -1.956 -21.567   5.653
  377   HE22  GLN  44          HE22      GLN  44  -3.162 -22.606   6.238
  378    H    GLY  45           HN       GLY  45   2.396 -25.518   3.215
  379    HA2  GLY  45           HA2      GLY  45   1.499 -28.164   3.604
  380    HA3  GLY  45           HA1      GLY  45   3.132 -27.694   3.135
  381    H    LEU  46           HN       LEU  46   3.825 -26.138   5.324
  382    HA   LEU  46           HA       LEU  46   4.670 -28.124   7.137
  383    HB2  LEU  46           HB2      LEU  46   5.742 -25.790   6.630
  384    HB3  LEU  46           HB1      LEU  46   4.621 -25.192   7.850
  385    HG   LEU  46           HG       LEU  46   5.638 -27.397   9.155
  386   HD11  LEU  46          HD11      LEU  46   7.240 -27.782   7.258
  387   HD12  LEU  46          HD12      LEU  46   8.012 -27.545   8.827
  388   HD13  LEU  46          HD13      LEU  46   7.990 -26.232   7.650
  389   HD21  LEU  46          HD21      LEU  46   7.028 -25.833  10.433
  390   HD22  LEU  46          HD22      LEU  46   5.462 -25.105  10.077
  391   HD23  LEU  46          HD23      LEU  46   6.887 -24.630   9.149
  392    H    MET  47           HN       MET  47   2.062 -25.762   7.202
  393    HA   MET  47           HA       MET  47   1.237 -25.731   9.784
  394    HB2  MET  47           HB2      MET  47   0.141 -24.664   7.733
  395    HB3  MET  47           HB1      MET  47  -0.728 -26.187   7.539
  396    HG2  MET  47           HG2      MET  47  -1.568 -25.961   9.879
  397    HG3  MET  47           HG1      MET  47  -0.776 -24.389   9.974
  398    HE1  MET  47           HE1      MET  47  -2.806 -21.965   8.131
  399    HE2  MET  47           HE2      MET  47  -1.143 -22.542   8.046
  400    HE3  MET  47           HE3      MET  47  -1.918 -22.338   9.615
  401    H    HIS  48           HN       HIS  48   0.917 -28.420   7.538
  402    HA   HIS  48           HA       HIS  48  -0.756 -29.971   9.316
  403    HB2  HIS  48           HB2      HIS  48  -0.917 -30.205   6.867
  404    HB3  HIS  48           HB1      HIS  48   0.746 -30.795   6.822
  405    HD2  HIS  48           HD2      HIS  48   0.971 -33.523   7.262
  406    HE1  HIS  48           HE1      HIS  48  -2.909 -34.180   8.789
  407    HE2  HIS  48           HE2      HIS  48  -0.748 -35.309   8.081
  408    H    GLU  49           HN       GLU  49   2.506 -30.547   7.966
  409    HA   GLU  49           HA       GLU  49   3.179 -32.608   9.776
  410    HB2  GLU  49           HB2      GLU  49   4.903 -30.749   8.128
  411    HB3  GLU  49           HB1      GLU  49   5.537 -32.120   9.041
  412    HG2  GLU  49           HG2      GLU  49   4.175 -33.670   7.771
  413    HG3  GLU  49           HG1      GLU  49   3.360 -32.341   6.946
  414    H    LEU  50           HN       LEU  50   3.172 -29.180  10.080
  415    HA   LEU  50           HA       LEU  50   5.115 -28.842  12.076
  416    HB2  LEU  50           HB2      LEU  50   4.207 -26.926  10.883
  417    HB3  LEU  50           HB1      LEU  50   2.601 -27.252  11.520
  418    HG   LEU  50           HG       LEU  50   3.359 -26.777  13.790
  419   HD11  LEU  50          HD11      LEU  50   6.066 -26.729  12.462
  420   HD12  LEU  50          HD12      LEU  50   5.571 -27.537  13.950
  421   HD13  LEU  50          HD13      LEU  50   5.791 -25.794  13.930
  422   HD21  LEU  50          HD21      LEU  50   4.597 -24.516  12.278
  423   HD22  LEU  50          HD22      LEU  50   3.379 -24.483  13.550
  424   HD23  LEU  50          HD23      LEU  50   2.923 -24.909  11.906
  425    H    MET  51           HN       MET  51   1.675 -29.616  12.221
  426    HA   MET  51           HA       MET  51   1.320 -29.390  14.998
  427    HB2  MET  51           HB2      MET  51  -0.058 -31.050  12.887
  428    HB3  MET  51           HB1      MET  51  -0.554 -31.092  14.578
  429    HG2  MET  51           HG2      MET  51  -0.957 -28.681  14.558
  430    HG3  MET  51           HG1      MET  51  -0.377 -28.580  12.894
  431    HE1  MET  51           HE1      MET  51  -2.835 -31.571  14.370
  432    HE2  MET  51           HE2      MET  51  -4.166 -30.439  14.562
  433    HE3  MET  51           HE3      MET  51  -2.627 -30.117  15.355
  434    H    GLU  52           HN       GLU  52   2.516 -32.042  12.994
  435    HA   GLU  52           HA       GLU  52   2.517 -34.074  14.930
  436    HB2  GLU  52           HB2      GLU  52   4.371 -33.590  12.590
  437    HB3  GLU  52           HB1      GLU  52   4.350 -35.073  13.542
  438    HG2  GLU  52           HG2      GLU  52   2.010 -35.457  12.958
  439    HG3  GLU  52           HG1      GLU  52   1.956 -33.931  12.078
  440    H    LEU  53           HN       LEU  53   5.095 -31.769  14.039
  441    HA   LEU  53           HA       LEU  53   6.974 -32.669  15.949
  442    HB2  LEU  53           HB2      LEU  53   6.609 -30.143  14.360
  443    HB3  LEU  53           HB1      LEU  53   7.822 -30.186  15.637
  444    HG   LEU  53           HG       LEU  53   8.894 -32.128  14.602
  445   HD11  LEU  53          HD11      LEU  53   7.007 -33.265  13.638
  446   HD12  LEU  53          HD12      LEU  53   8.068 -32.818  12.303
  447   HD13  LEU  53          HD13      LEU  53   6.618 -31.876  12.629
  448   HD21  LEU  53          HD21      LEU  53   9.576 -31.033  12.430
  449   HD22  LEU  53          HD22      LEU  53   9.676 -29.967  13.832
  450   HD23  LEU  53          HD23      LEU  53   8.321 -29.826  12.712
  451    H    ILE  54           HN       ILE  54   4.491 -30.124  16.090
  452    HA   ILE  54           HA       ILE  54   5.180 -29.176  18.657
  453    HB   ILE  54           HB       ILE  54   2.612 -29.084  17.090
  454   HG12  ILE  54          HG12      ILE  54   4.839 -27.779  16.511
  455   HG13  ILE  54          HG11      ILE  54   3.293 -26.948  16.457
  456   HG21  ILE  54          HG21      ILE  54   3.252 -27.979  19.823
  457   HG22  ILE  54          HG22      ILE  54   1.856 -28.937  19.336
  458   HG23  ILE  54          HG23      ILE  54   2.006 -27.262  18.806
  459   HD11  ILE  54          HD11      ILE  54   3.682 -25.789  18.463
  460   HD12  ILE  54          HD12      ILE  54   5.276 -25.810  17.713
  461   HD13  ILE  54          HD13      ILE  54   4.903 -26.939  19.002
  462    H    ASP  55           HN       ASP  55   2.867 -31.633  17.582
  463    HA   ASP  55           HA       ASP  55   1.810 -32.209  20.137
  464    HB2  ASP  55           HB2      ASP  55   1.957 -33.816  17.583
  465    HB3  ASP  55           HB1      ASP  55   1.118 -34.379  19.030
  466    H    LEU  56           HN       LEU  56   4.548 -33.479  18.319
  467    HA   LEU  56           HA       LEU  56   5.116 -35.666  19.979
  468    HB2  LEU  56           HB2      LEU  56   6.762 -34.003  18.092
  469    HB3  LEU  56           HB1      LEU  56   7.515 -35.292  19.024
  470    HG   LEU  56           HG       LEU  56   5.028 -35.785  17.368
  471   HD11  LEU  56          HD11      LEU  56   6.702 -36.720  15.660
  472   HD12  LEU  56          HD12      LEU  56   7.930 -35.786  16.517
  473   HD13  LEU  56          HD13      LEU  56   6.571 -34.964  15.751
  474   HD21  LEU  56          HD21      LEU  56   7.186 -37.518  18.609
  475   HD22  LEU  56          HD22      LEU  56   6.158 -38.115  17.311
  476   HD23  LEU  56          HD23      LEU  56   5.443 -37.617  18.835
  477    H    TYR  57           HN       TYR  57   6.313 -32.323  20.070
  478    HA   TYR  57           HA       TYR  57   7.955 -32.815  22.392
  479    HB2  TYR  57           HB2      TYR  57   7.179 -30.391  20.783
  480    HB3  TYR  57           HB1      TYR  57   7.987 -30.194  22.338
  481    HD1  TYR  57           HD2      TYR  57   8.288 -32.350  19.271
  482    HD2  TYR  57           HD1      TYR  57  10.321 -30.065  22.287
  483    HE1  TYR  57           HE2      TYR  57  10.462 -32.872  18.200
  484    HE2  TYR  57           HE1      TYR  57  12.495 -30.589  21.219
  485    HH   TYR  57           HH       TYR  57  12.787 -31.752  18.133
  486    H    GLU  58           HN       GLU  58   5.048 -30.829  21.819
  487    HA   GLU  58           HA       GLU  58   4.449 -30.007  24.343
  488    HB2  GLU  58           HB2      GLU  58   2.578 -30.957  22.171
  489    HB3  GLU  58           HB1      GLU  58   1.999 -30.243  23.676
  490    HG2  GLU  58           HG2      GLU  58   3.988 -28.893  21.833
  491    HG3  GLU  58           HG1      GLU  58   2.250 -28.596  21.792
  492    H    GLU  59           HN       GLU  59   4.563 -33.252  23.269
  493    HA   GLU  59           HA       GLU  59   2.778 -34.354  25.199
  494    HB2  GLU  59           HB2      GLU  59   3.619 -35.449  23.049
  495    HB3  GLU  59           HB1      GLU  59   5.124 -35.764  23.915
  496    HG2  GLU  59           HG2      GLU  59   2.420 -36.612  24.986
  497    HG3  GLU  59           HG1      GLU  59   3.406 -37.648  23.959
  498    H    SER  60           HN       SER  60   6.358 -34.342  25.018
  499    HA   SER  60           HA       SER  60   6.530 -34.983  27.876
  500    HB2  SER  60           HB2      SER  60   8.662 -34.791  25.736
  501    HB3  SER  60           HB1      SER  60   8.942 -35.280  27.405
  502    HG   SER  60           HG       SER  60   8.567 -37.167  26.436
  503    H    GLN  61           HN       GLN  61   6.644 -32.208  25.888
  504    HA   GLN  61           HA       GLN  61   8.601 -30.658  27.217
  505    HB2  GLN  61           HB2      GLN  61   6.832 -30.284  25.059
  506    HB3  GLN  61           HB1      GLN  61   6.379 -29.033  26.194
  507    HG2  GLN  61           HG2      GLN  61   9.170 -29.548  25.124
  508    HG3  GLN  61           HG1      GLN  61   8.113 -28.201  24.691
  509   HE21  GLN  61          HE21      GLN  61  10.346 -29.400  27.088
  510   HE22  GLN  61          HE22      GLN  61  10.258 -28.057  28.123
  511    HA   PRO  62           HA       PRO  62   5.269 -29.218  30.194
  512    HB2  PRO  62           HB2      PRO  62   2.674 -30.016  29.858
  513    HB3  PRO  62           HB1      PRO  62   3.408 -28.719  28.894
  514    HG2  PRO  62           HG2      PRO  62   2.626 -31.406  28.048
  515    HG3  PRO  62           HG1      PRO  62   3.045 -29.995  27.065
  516    HD2  PRO  62           HD2      PRO  62   4.771 -32.290  27.799
  517    HD3  PRO  62           HD1      PRO  62   5.041 -31.011  26.588
  518    H    SER  63           HN       SER  63   6.361 -30.528  31.657
  519    HA   SER  63           HA       SER  63   5.408 -33.171  32.365
  520    HB2  SER  63           HB2      SER  63   7.814 -32.604  32.482
  521    HB3  SER  63           HB1      SER  63   7.458 -31.381  33.699
  522    HG   SER  63           HG       SER  63   6.913 -34.163  33.890
  523    H    SER  64           HN       SER  64   4.427 -30.041  32.999
  524    HA   SER  64           HA       SER  64   3.345 -30.712  35.679
  525    HB2  SER  64           HB2      SER  64   3.017 -28.267  35.925
  526    HB3  SER  64           HB1      SER  64   4.708 -28.697  35.678
  527    HG   SER  64           HG       SER  64   4.668 -27.768  33.770
  528    H    GLU  65           HN       GLU  65   2.345 -31.328  32.822
  529    HA   GLU  65           HA       GLU  65   0.325 -31.474  31.742
  530    HB2  GLU  65           HB2      GLU  65  -0.651 -30.952  34.557
  531    HB3  GLU  65           HB1      GLU  65  -1.698 -31.418  33.218
  532    HG2  GLU  65           HG2      GLU  65  -0.466 -33.498  32.918
  533    HG3  GLU  65           HG1      GLU  65   0.696 -33.022  34.156
  534    H    ARG  66           HN       ARG  66   1.703 -28.893  31.924
  535    HA   ARG  66           HA       ARG  66  -0.334 -26.859  32.138
  536    HB2  ARG  66           HB2      ARG  66   1.439 -25.319  31.455
  537    HB3  ARG  66           HB1      ARG  66   1.998 -26.380  32.747
  538    HG2  ARG  66           HG2      ARG  66   3.060 -27.851  31.055
  539    HG3  ARG  66           HG1      ARG  66   2.544 -26.739  29.786
  540    HD2  ARG  66           HD2      ARG  66   3.824 -24.922  30.883
  541    HD3  ARG  66           HD1      ARG  66   4.381 -26.070  32.097
  542    HE   ARG  66           HE       ARG  66   5.008 -27.122  29.575
  543   HH11  ARG  66          HH21      ARG  66   5.774 -24.425  31.599
  544   HH12  ARG  66          HH22      ARG  66   7.388 -24.255  30.996
  545   HH21  ARG  66          HH11      ARG  66   7.118 -26.906  28.776
  546   HH22  ARG  66          HH12      ARG  66   8.151 -25.661  29.396
  547    H    LEU  67           HN       LEU  67   0.658 -29.021  29.717
  548    HA   LEU  67           HA       LEU  67   0.571 -27.755  27.321
  549    HB2  LEU  67           HB2      LEU  67  -0.672 -29.752  26.428
  550    HB3  LEU  67           HB1      LEU  67   0.762 -30.136  27.362
  551    HG   LEU  67           HG       LEU  67  -1.491 -29.969  29.187
  552   HD11  LEU  67          HD11      LEU  67  -1.895 -31.873  26.858
  553   HD12  LEU  67          HD12      LEU  67  -2.900 -30.469  27.224
  554   HD13  LEU  67          HD13      LEU  67  -2.852 -31.834  28.338
  555   HD21  LEU  67          HD21      LEU  67   0.666 -31.280  29.437
  556   HD22  LEU  67          HD22      LEU  67   0.022 -32.431  28.267
  557   HD23  LEU  67          HD23      LEU  67  -0.800 -32.192  29.808
  558    H    ASN  68           HN       ASN  68  -1.970 -27.863  29.638
  559    HA   ASN  68           HA       ASN  68  -4.271 -27.567  28.144
  560    HB2  ASN  68           HB2      ASN  68  -3.399 -26.305  30.744
  561    HB3  ASN  68           HB1      ASN  68  -5.003 -26.023  30.069
  562   HD21  ASN  68          HD21      ASN  68  -4.634 -27.403  32.560
  563   HD22  ASN  68          HD22      ASN  68  -5.118 -29.016  32.348
  564    H    ALA  69           HN       ALA  69  -1.640 -25.321  28.646
  565    HA   ALA  69           HA       ALA  69  -3.052 -23.060  27.495
  566    HB1  ALA  69           HB1      ALA  69  -0.172 -23.481  28.323
  567    HB2  ALA  69           HB2      ALA  69  -1.410 -22.568  29.186
  568    HB3  ALA  69           HB3      ALA  69  -0.786 -21.972  27.648
  569    H    PHE  70           HN       PHE  70  -0.316 -25.150  26.553
  570    HA   PHE  70           HA       PHE  70   0.053 -24.018  23.989
  571    HB2  PHE  70           HB2      PHE  70   0.765 -26.726  25.120
  572    HB3  PHE  70           HB1      PHE  70   1.220 -26.211  23.494
  573    HD1  PHE  70           HD1      PHE  70   2.736 -24.282  23.163
  574    HD2  PHE  70           HD2      PHE  70   1.840 -25.797  27.081
  575    HE1  PHE  70           HE1      PHE  70   4.675 -23.043  24.085
  576    HE2  PHE  70           HE2      PHE  70   3.780 -24.557  28.004
  577    HZ   PHE  70           HZ       PHE  70   5.197 -23.180  26.505
  578    H    ARG  71           HN       ARG  71  -1.987 -26.619  25.179
  579    HA   ARG  71           HA       ARG  71  -2.788 -27.872  22.873
  580    HB2  ARG  71           HB2      ARG  71  -3.544 -28.492  25.152
  581    HB3  ARG  71           HB1      ARG  71  -4.596 -27.077  25.166
  582    HG2  ARG  71           HG2      ARG  71  -5.837 -27.928  23.248
  583    HG3  ARG  71           HG1      ARG  71  -4.734 -29.297  23.106
  584    HD2  ARG  71           HD2      ARG  71  -6.748 -30.020  24.267
  585    HD3  ARG  71           HD1      ARG  71  -5.396 -30.024  25.396
  586    HE   ARG  71           HE       ARG  71  -6.783 -27.528  25.469
  587   HH11  ARG  71          HH21      ARG  71  -6.939 -30.850  26.427
  588   HH12  ARG  71          HH22      ARG  71  -7.922 -30.546  27.820
  589   HH21  ARG  71          HH11      ARG  71  -8.074 -27.122  27.295
  590   HH22  ARG  71          HH12      ARG  71  -8.565 -28.435  28.311
  591    H    GLU  72           HN       GLU  72  -3.506 -24.649  23.962
  592    HA   GLU  72           HA       GLU  72  -5.738 -24.151  22.267
  593    HB2  GLU  72           HB2      GLU  72  -3.715 -22.274  23.512
  594    HB3  GLU  72           HB1      GLU  72  -5.153 -21.742  22.644
  595    HG2  GLU  72           HG2      GLU  72  -6.587 -22.939  24.223
  596    HG3  GLU  72           HG1      GLU  72  -5.170 -23.556  25.071
  597    H    LEU  73           HN       LEU  73  -2.236 -23.826  21.909
  598    HA   LEU  73           HA       LEU  73  -2.255 -22.481  19.423
  599    HB2  LEU  73           HB2      LEU  73  -0.226 -22.593  20.773
  600    HB3  LEU  73           HB1      LEU  73  -0.195 -24.348  20.629
  601    HG   LEU  73           HG       LEU  73   0.146 -24.176  18.204
  602   HD11  LEU  73          HD11      LEU  73   0.705 -21.752  17.376
  603   HD12  LEU  73          HD12      LEU  73  -0.282 -21.242  18.747
  604   HD13  LEU  73          HD13      LEU  73  -0.981 -22.254  17.481
  605   HD21  LEU  73          HD21      LEU  73   2.124 -24.141  19.670
  606   HD22  LEU  73          HD22      LEU  73   2.027 -22.383  19.769
  607   HD23  LEU  73          HD23      LEU  73   2.397 -23.160  18.228
  608    H    ARG  74           HN       ARG  74  -2.191 -25.917  20.283
  609    HA   ARG  74           HA       ARG  74  -1.895 -26.970  17.706
  610    HB2  ARG  74           HB2      ARG  74  -3.260 -28.059  20.175
  611    HB3  ARG  74           HB1      ARG  74  -3.045 -28.999  18.698
  612    HG2  ARG  74           HG2      ARG  74  -0.625 -28.749  18.836
  613    HG3  ARG  74           HG1      ARG  74  -0.785 -27.685  20.234
  614    HD2  ARG  74           HD2      ARG  74  -0.220 -29.962  20.958
  615    HD3  ARG  74           HD1      ARG  74  -1.832 -29.521  21.509
  616    HE   ARG  74           HE       ARG  74  -2.000 -30.835  18.998
  617   HH11  ARG  74          HH21      ARG  74  -1.318 -31.361  22.349
  618   HH12  ARG  74          HH22      ARG  74  -1.847 -33.012  22.340
  619   HH21  ARG  74          HH11      ARG  74  -2.692 -32.999  18.978
  620   HH22  ARG  74          HH12      ARG  74  -2.625 -33.938  20.431
  621    H    THR  75           HN       THR  75  -4.698 -25.809  19.456
  622    HA   THR  75           HA       THR  75  -6.685 -26.780  17.732
  623    HB   THR  75           HB       THR  75  -6.837 -24.227  19.248
  624    HG1  THR  75           HG1      THR  75  -7.019 -25.332  21.049
  625   HG21  THR  75          HG21      THR  75  -9.214 -24.948  19.479
  626   HG22  THR  75          HG22      THR  75  -8.846 -26.312  18.426
  627   HG23  THR  75          HG23      THR  75  -8.722 -24.664  17.810
  628    H    GLN  76           HN       GLN  76  -4.885 -23.737  17.772
  629    HA   GLN  76           HA       GLN  76  -6.216 -22.460  15.658
  630    HB2  GLN  76           HB2      GLN  76  -3.312 -22.251  16.500
  631    HB3  GLN  76           HB1      GLN  76  -4.148 -21.107  15.449
  632    HG2  GLN  76           HG2      GLN  76  -4.988 -21.773  18.285
  633    HG3  GLN  76           HG1      GLN  76  -4.063 -20.345  17.825
  634   HE21  GLN  76          HE21      GLN  76  -7.142 -21.208  18.587
  635   HE22  GLN  76          HE22      GLN  76  -8.005 -20.107  17.625
  636    H    LEU  77           HN       LEU  77  -3.331 -24.540  15.647
  637    HA   LEU  77           HA       LEU  77  -2.903 -24.434  12.853
  638    HB2  LEU  77           HB2      LEU  77  -2.065 -26.279  15.065
  639    HB3  LEU  77           HB1      LEU  77  -1.753 -26.754  13.401
  640    HG   LEU  77           HG       LEU  77   0.143 -25.513  14.540
  641   HD11  LEU  77          HD11      LEU  77  -0.797 -23.831  12.229
  642   HD12  LEU  77          HD12      LEU  77  -0.444 -25.538  11.962
  643   HD13  LEU  77          HD13      LEU  77   0.799 -24.468  12.582
  644   HD21  LEU  77          HD21      LEU  77  -1.529 -23.905  15.665
  645   HD22  LEU  77          HD22      LEU  77  -1.545 -23.041  14.139
  646   HD23  LEU  77          HD23      LEU  77  -0.041 -23.212  15.040
  647    H    GLU  78           HN       GLU  78  -4.755 -26.636  14.901
  648    HA   GLU  78           HA       GLU  78  -5.474 -28.429  12.831
  649    HB2  GLU  78           HB2      GLU  78  -5.660 -28.843  15.315
  650    HB3  GLU  78           HB1      GLU  78  -7.067 -27.780  15.323
  651    HG2  GLU  78           HG2      GLU  78  -6.872 -30.165  13.475
  652    HG3  GLU  78           HG1      GLU  78  -7.534 -30.289  15.101
  653    H    LYS  79           HN       LYS  79  -7.064 -25.564  14.196
  654    HA   LYS  79           HA       LYS  79  -9.372 -25.700  12.555
  655    HB2  LYS  79           HB2      LYS  79  -8.083 -23.420  14.066
  656    HB3  LYS  79           HB1      LYS  79  -9.624 -23.272  13.225
  657    HG2  LYS  79           HG2      LYS  79  -9.193 -25.479  15.238
  658    HG3  LYS  79           HG1      LYS  79  -9.629 -23.859  15.774
  659    HD2  LYS  79           HD2      LYS  79 -11.637 -23.924  14.329
  660    HD3  LYS  79           HD1      LYS  79 -11.217 -25.552  13.815
  661    HE2  LYS  79           HE2      LYS  79 -11.382 -26.357  16.127
  662    HE3  LYS  79           HE1      LYS  79 -11.776 -24.725  16.671
  663    HZ1  LYS  79           HZ1      LYS  79 -13.766 -26.065  16.353
  664    HZ2  LYS  79           HZ2      LYS  79 -13.351 -26.320  14.724
  665    HZ3  LYS  79           HZ3      LYS  79 -13.734 -24.758  15.273
  666    H    ALA  80           HN       ALA  80  -6.284 -24.025  12.296
  667    HA   ALA  80           HA       ALA  80  -6.868 -22.539   9.991
  668    HB1  ALA  80           HB1      ALA  80  -4.828 -22.269  11.461
  669    HB2  ALA  80           HB2      ALA  80  -4.501 -22.255   9.726
  670    HB3  ALA  80           HB3      ALA  80  -4.168 -23.704  10.675
  671    H    LEU  81           HN       LEU  81  -6.218 -25.900  10.472
  672    HA   LEU  81           HA       LEU  81  -5.276 -26.574   7.904
  673    HB2  LEU  81           HB2      LEU  81  -5.599 -27.974  10.179
  674    HB3  LEU  81           HB1      LEU  81  -7.072 -28.483   9.369
  675    HG   LEU  81           HG       LEU  81  -5.332 -30.072   8.820
  676   HD11  LEU  81          HD11      LEU  81  -5.553 -30.083   6.474
  677   HD12  LEU  81          HD12      LEU  81  -5.527 -28.325   6.365
  678   HD13  LEU  81          HD13      LEU  81  -6.947 -29.149   7.012
  679   HD21  LEU  81          HD21      LEU  81  -3.548 -27.998   9.117
  680   HD22  LEU  81          HD22      LEU  81  -3.590 -28.138   7.362
  681   HD23  LEU  81          HD23      LEU  81  -3.158 -29.532   8.348
  682    H    GLY  82           HN       GLY  82  -8.566 -26.367   9.225
  683    HA2  GLY  82           HA2      GLY  82  -9.850 -27.195   6.804
  684    HA3  GLY  82           HA1      GLY  82 -10.629 -26.417   8.180
  685    H    LEU  83           HN       LEU  83  -8.055 -24.539   7.425
  686    HA   LEU  83           HA       LEU  83  -7.894 -22.418   6.551
  687    HB2  LEU  83           HB2      LEU  83  -9.337 -23.830   4.296
  688    HB3  LEU  83           HB1      LEU  83  -8.545 -22.263   4.151
  689    HG   LEU  83           HG       LEU  83  -7.142 -24.806   5.035
  690   HD11  LEU  83          HD11      LEU  83  -7.100 -23.433   2.327
  691   HD12  LEU  83          HD12      LEU  83  -7.945 -24.939   2.689
  692   HD13  LEU  83          HD13      LEU  83  -6.186 -24.873   2.780
  693   HD21  LEU  83          HD21      LEU  83  -5.805 -23.058   5.833
  694   HD22  LEU  83          HD22      LEU  83  -6.270 -21.961   4.532
  695   HD23  LEU  83          HD23      LEU  83  -5.140 -23.274   4.219
  696    H    GLU  84           HN       GLU  84 -10.432 -23.277   8.021
  697    HA   GLU  84           HA       GLU  84 -12.617 -21.842   6.920
  698    HB2  GLU  84           HB2      GLU  84 -12.007 -22.592   9.792
  699    HB3  GLU  84           HB1      GLU  84 -13.563 -21.999   9.210
  700    HG2  GLU  84           HG2      GLU  84 -12.179 -24.483   8.163
  701    HG3  GLU  84           HG1      GLU  84 -13.466 -24.493   9.367
  702    H    HIS  85           HN       HIS  85 -13.059 -19.726   6.901
  703    HA   HIS  85           HA       HIS  85 -11.909 -17.924   8.884
  704    HB2  HIS  85           HB2      HIS  85 -10.812 -16.485   7.292
  705    HB3  HIS  85           HB1      HIS  85 -10.183 -18.117   7.070
  706    HD2  HIS  85           HD2      HIS  85 -12.191 -15.446   5.075
  707    HE1  HIS  85           HE1      HIS  85 -11.959 -18.905   2.664
  708    HE2  HIS  85           HE2      HIS  85 -12.627 -16.455   2.706
  709    H    HIS  86           HN       HIS  86 -14.200 -18.747   6.472
  710    HA   HIS  86           HA       HIS  86 -15.463 -16.154   6.315
  711    HB2  HIS  86           HB2      HIS  86 -15.561 -17.796   4.456
  712    HB3  HIS  86           HB1      HIS  86 -16.513 -18.868   5.482
  713    HD2  HIS  86           HD2      HIS  86 -16.957 -15.485   3.527
  714    HE1  HIS  86           HE1      HIS  86 -20.722 -16.628   5.060
  715    HE2  HIS  86           HE2      HIS  86 -19.518 -14.975   3.553
  716    H    HIS  87           HN       HIS  87 -15.919 -15.605   8.474
  717    HA   HIS  87           HA       HIS  87 -17.515 -17.355  10.134
  718    HB2  HIS  87           HB2      HIS  87 -15.891 -15.846  11.165
  719    HB3  HIS  87           HB1      HIS  87 -16.733 -14.451  10.490
  720    HD2  HIS  87           HD2      HIS  87 -18.792 -13.514  12.096
  721    HE1  HIS  87           HE1      HIS  87 -19.113 -16.866  14.641
  722    HE2  HIS  87           HE2      HIS  87 -19.954 -14.509  14.211
  723    H    HIS  88           HN       HIS  88 -18.082 -14.142   8.659
  724    HA   HIS  88           HA       HIS  88 -20.705 -14.778   7.787
  725    HB2  HIS  88           HB2      HIS  88 -21.266 -14.766  10.152
  726    HB3  HIS  88           HB1      HIS  88 -20.500 -13.191  10.357
  727    HD2  HIS  88           HD2      HIS  88 -22.196 -11.054   9.868
  728    HE1  HIS  88           HE1      HIS  88 -25.286 -13.202   7.955
  729    HE2  HIS  88           HE2      HIS  88 -24.593 -10.925   8.841
  730    H    HIS  89           HN       HIS  89 -19.112 -13.758   6.158
  731    HA   HIS  89           HA       HIS  89 -18.596 -10.967   6.246
  732    HB2  HIS  89           HB2      HIS  89 -18.583 -13.025   4.042
  733    HB3  HIS  89           HB1      HIS  89 -18.244 -11.325   3.718
  734    HD2  HIS  89           HD2      HIS  89 -15.900 -10.315   5.156
  735    HE1  HIS  89           HE1      HIS  89 -14.326 -14.164   5.875
  736    HE2  HIS  89           HE2      HIS  89 -13.811 -11.680   5.924
  737    H    HIS  90           HN       HIS  90 -21.232 -12.855   4.762
  738    HA   HIS  90           HA       HIS  90 -22.407 -10.640   3.418
  739    HB2  HIS  90           HB2      HIS  90 -23.663 -13.235   4.346
  740    HB3  HIS  90           HB1      HIS  90 -24.413 -12.079   3.244
  741    HD2  HIS  90           HD2      HIS  90 -21.909 -15.004   3.110
  742    HE1  HIS  90           HE1      HIS  90 -21.690 -13.060  -0.631
  743    HE2  HIS  90           HE2      HIS  90 -20.988 -15.126   0.671
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  -1.125 -13.303  11.900
    2    H2   MET   1           HT2      MET   1  -0.475 -12.437  10.592
    3    H3   MET   1           HT3      MET   1  -1.936 -13.284  10.410
    4    HA   MET   1           HA       MET   1  -1.532 -10.973  12.228
    5    HB2  MET   1           HB2      MET   1  -2.795 -11.200   9.484
    6    HB3  MET   1           HB1      MET   1  -3.035  -9.819  10.555
    7    HG2  MET   1           HG2      MET   1  -0.581  -9.462  10.618
    8    HG3  MET   1           HG1      MET   1  -0.367 -10.807   9.502
    9    HE1  MET   1           HE1      MET   1  -1.581  -9.751   6.187
   10    HE2  MET   1           HE2      MET   1  -2.785 -10.431   7.276
   11    HE3  MET   1           HE3      MET   1  -1.129 -11.028   7.323
   12    H    GLY   2           HN       GLY   2  -3.525 -13.547  10.922
   13    HA2  GLY   2           HA2      GLY   2  -6.006 -12.776  12.040
   14    HA3  GLY   2           HA1      GLY   2  -5.553 -14.415  11.583
   15    H    VAL   3           HN       VAL   3  -3.418 -14.897  13.262
   16    HA   VAL   3           HA       VAL   3  -4.191 -14.291  16.001
   17    HB   VAL   3           HB       VAL   3  -5.663 -16.187  15.420
   18   HG11  VAL   3          HG11      VAL   3  -3.147 -17.831  15.103
   19   HG12  VAL   3          HG12      VAL   3  -3.966 -17.111  13.720
   20   HG13  VAL   3          HG13      VAL   3  -4.804 -18.293  14.726
   21   HG21  VAL   3          HG21      VAL   3  -5.123 -17.522  17.348
   22   HG22  VAL   3          HG22      VAL   3  -4.620 -15.871  17.715
   23   HG23  VAL   3          HG23      VAL   3  -3.420 -17.076  17.250
   24    H    TRP   4           HN       TRP   4  -2.403 -14.049  17.159
   25    HA   TRP   4           HA       TRP   4   0.037 -15.558  16.408
   26    HB2  TRP   4           HB2      TRP   4   1.355 -13.564  16.934
   27    HB3  TRP   4           HB1      TRP   4   0.243 -13.266  15.608
   28    HD1  TRP   4           HD1      TRP   4   0.512 -12.692  19.409
   29    HE1  TRP   4           HE1      TRP   4  -0.890 -10.616  20.014
   30    HE3  TRP   4           HE3      TRP   4  -1.548 -11.662  14.852
   31    HZ2  TRP   4           HZ2      TRP   4  -2.655  -8.762  18.734
   32    HZ3  TRP   4           HZ3      TRP   4  -3.086  -9.738  14.573
   33    HH2  TRP   4           HH2      TRP   4  -3.641  -8.288  16.506
   34    H    THR   5           HN       THR   5   1.413 -16.123  18.092
   35    HA   THR   5           HA       THR   5   0.747 -15.432  20.838
   36    HB   THR   5           HB       THR   5   0.737 -17.979  21.380
   37    HG1  THR   5           HG1      THR   5   1.287 -18.419  19.109
   38   HG21  THR   5          HG21      THR   5  -1.670 -18.074  21.163
   39   HG22  THR   5          HG22      THR   5  -1.654 -16.850  19.900
   40   HG23  THR   5          HG23      THR   5  -1.234 -16.414  21.554
   41    HA   PRO   6           HA       PRO   6   5.220 -16.393  19.897
   42    HB2  PRO   6           HB2      PRO   6   6.243 -13.898  19.876
   43    HB3  PRO   6           HB1      PRO   6   5.422 -14.568  18.451
   44    HG2  PRO   6           HG2      PRO   6   4.393 -12.657  20.495
   45    HG3  PRO   6           HG1      PRO   6   4.151 -12.660  18.741
   46    HD2  PRO   6           HD2      PRO   6   2.301 -13.639  20.591
   47    HD3  PRO   6           HD1      PRO   6   2.361 -14.099  18.886
   48    H    GLU   7           HN       GLU   7   7.184 -15.290  21.247
   49    HA   GLU   7           HA       GLU   7   7.124 -16.092  23.828
   50    HB2  GLU   7           HB2      GLU   7   8.512 -13.642  22.723
   51    HB3  GLU   7           HB1      GLU   7   8.844 -14.332  24.312
   52    HG2  GLU   7           HG2      GLU   7   9.483 -16.460  23.286
   53    HG3  GLU   7           HG1      GLU   7   9.091 -15.826  21.687
   54    H    VAL   8           HN       VAL   8   5.329 -13.455  22.552
   55    HA   VAL   8           HA       VAL   8   5.029 -11.758  24.755
   56    HB   VAL   8           HB       VAL   8   3.120 -12.565  22.546
   57   HG11  VAL   8          HG11      VAL   8   2.824 -10.497  24.730
   58   HG12  VAL   8          HG12      VAL   8   1.692 -11.770  24.271
   59   HG13  VAL   8          HG13      VAL   8   1.942 -10.387  23.207
   60   HG21  VAL   8          HG21      VAL   8   4.528  -9.919  22.915
   61   HG22  VAL   8          HG22      VAL   8   3.832 -10.603  21.444
   62   HG23  VAL   8          HG23      VAL   8   5.323 -11.270  22.108
   63    H    LEU   9           HN       LEU   9   3.179 -14.667  23.807
   64    HA   LEU   9           HA       LEU   9   1.424 -14.637  26.028
   65    HB2  LEU   9           HB2      LEU   9   0.916 -15.974  24.048
   66    HB3  LEU   9           HB1      LEU   9   2.359 -16.953  24.309
   67    HG   LEU   9           HG       LEU   9   1.450 -17.795  26.423
   68   HD11  LEU   9          HD11      LEU   9  -1.074 -17.179  26.823
   69   HD12  LEU   9          HD12      LEU   9  -0.691 -15.749  25.867
   70   HD13  LEU   9          HD13      LEU   9   0.180 -16.066  27.367
   71   HD21  LEU   9          HD21      LEU   9  -0.471 -17.922  24.086
   72   HD22  LEU   9          HD22      LEU   9  -0.580 -18.965  25.504
   73   HD23  LEU   9          HD23      LEU   9   0.834 -19.050  24.455
   74    H    LYS  10           HN       LYS  10   4.529 -16.251  25.432
   75    HA   LYS  10           HA       LYS  10   4.653 -17.657  27.885
   76    HB2  LYS  10           HB2      LYS  10   6.111 -17.967  25.788
   77    HB3  LYS  10           HB1      LYS  10   7.067 -16.621  26.400
   78    HG2  LYS  10           HG2      LYS  10   8.199 -18.400  27.392
   79    HG3  LYS  10           HG1      LYS  10   7.036 -18.030  28.658
   80    HD2  LYS  10           HD2      LYS  10   6.724 -20.333  28.465
   81    HD3  LYS  10           HD1      LYS  10   5.507 -19.755  27.331
   82    HE2  LYS  10           HE2      LYS  10   7.064 -20.076  25.459
   83    HE3  LYS  10           HE1      LYS  10   8.321 -20.600  26.579
   84    HZ1  LYS  10           HZ1      LYS  10   5.824 -21.968  25.829
   85    HZ2  LYS  10           HZ2      LYS  10   6.587 -22.317  27.307
   86    HZ3  LYS  10           HZ3      LYS  10   7.409 -22.570  25.842
   87    H    ALA  11           HN       ALA  11   5.921 -14.506  26.890
   88    HA   ALA  11           HA       ALA  11   7.201 -13.842  29.310
   89    HB1  ALA  11           HB1      ALA  11   5.922 -11.901  27.376
   90    HB2  ALA  11           HB2      ALA  11   7.486 -12.669  27.097
   91    HB3  ALA  11           HB3      ALA  11   7.266 -11.591  28.476
   92    H    ARG  12           HN       ARG  12   3.867 -13.753  28.320
   93    HA   ARG  12           HA       ARG  12   2.850 -11.906  30.181
   94    HB2  ARG  12           HB2      ARG  12   1.636 -12.980  28.208
   95    HB3  ARG  12           HB1      ARG  12   1.418 -14.389  29.237
   96    HG2  ARG  12           HG2      ARG  12  -0.558 -13.238  29.679
   97    HG3  ARG  12           HG1      ARG  12   0.473 -12.631  30.972
   98    HD2  ARG  12           HD2      ARG  12   0.996 -10.633  29.655
   99    HD3  ARG  12           HD1      ARG  12   0.065 -11.255  28.299
  100    HE   ARG  12           HE       ARG  12  -1.575 -11.133  30.609
  101   HH11  ARG  12          HH21      ARG  12   0.036  -9.169  28.262
  102   HH12  ARG  12          HH22      ARG  12  -1.103  -7.869  28.363
  103   HH21  ARG  12          HH11      ARG  12  -3.078  -9.430  30.748
  104   HH22  ARG  12          HH12      ARG  12  -2.868  -8.017  29.770
  105    H    ALA  13           HN       ALA  13   3.243 -15.434  30.387
  106    HA   ALA  13           HA       ALA  13   2.466 -15.450  33.204
  107    HB1  ALA  13           HB1      ALA  13   3.522 -17.771  31.589
  108    HB2  ALA  13           HB2      ALA  13   1.835 -17.261  31.522
  109    HB3  ALA  13           HB3      ALA  13   2.530 -17.819  33.046
  110    H    SER  14           HN       SER  14   5.326 -15.932  31.198
  111    HA   SER  14           HA       SER  14   7.048 -16.474  33.470
  112    HB2  SER  14           HB2      SER  14   7.912 -15.885  30.641
  113    HB3  SER  14           HB1      SER  14   8.781 -16.790  31.878
  114    HG   SER  14           HG       SER  14   6.469 -17.507  30.419
  115    H    VAL  15           HN       VAL  15   5.588 -13.775  32.467
  116    HA   VAL  15           HA       VAL  15   5.935 -11.533  32.788
  117    HB   VAL  15           HB       VAL  15   8.359 -12.358  34.396
  118   HG11  VAL  15          HG11      VAL  15   7.861 -10.263  35.608
  119   HG12  VAL  15          HG12      VAL  15   6.520  -9.950  34.506
  120   HG13  VAL  15          HG13      VAL  15   8.177  -9.958  33.901
  121   HG21  VAL  15          HG21      VAL  15   6.807 -12.378  36.330
  122   HG22  VAL  15          HG22      VAL  15   6.384 -13.616  35.146
  123   HG23  VAL  15          HG23      VAL  15   5.451 -12.121  35.231
  124    H    ILE  16           HN       ILE  16   9.286 -12.754  32.752
  125    HA   ILE  16           HA       ILE  16   9.862 -10.919  30.494
  126    HB   ILE  16           HB       ILE  16  11.132 -10.544  32.603
  127   HG12  ILE  16          HG12      ILE  16  12.912 -11.648  30.414
  128   HG13  ILE  16          HG11      ILE  16  12.057 -10.113  30.267
  129   HG21  ILE  16          HG21      ILE  16  12.426 -13.216  32.017
  130   HG22  ILE  16          HG22      ILE  16  11.127 -13.028  33.194
  131   HG23  ILE  16          HG23      ILE  16  12.659 -12.187  33.431
  132   HD11  ILE  16          HD11      ILE  16  14.439  -9.930  31.125
  133   HD12  ILE  16          HD12      ILE  16  13.895 -10.761  32.583
  134   HD13  ILE  16          HD13      ILE  16  13.216  -9.190  32.158
  135    H    GLY  17           HN       GLY  17  10.578 -11.715  28.602
  136    HA2  GLY  17           HA2      GLY  17  10.188 -14.341  27.830
  137    HA3  GLY  17           HA1      GLY  17  11.266 -13.223  26.998
  138    H    LYS  18           HN       LYS  18  11.563 -16.105  27.468
  139    HA   LYS  18           HA       LYS  18  14.311 -16.075  28.357
  140    HB2  LYS  18           HB2      LYS  18  13.072 -16.238  30.505
  141    HB3  LYS  18           HB1      LYS  18  12.299 -17.712  29.918
  142    HG2  LYS  18           HG2      LYS  18  14.439 -18.835  29.736
  143    HG3  LYS  18           HG1      LYS  18  15.299 -17.344  30.121
  144    HD2  LYS  18           HD2      LYS  18  14.432 -17.325  32.364
  145    HD3  LYS  18           HD1      LYS  18  13.313 -18.639  32.002
  146    HE2  LYS  18           HE2      LYS  18  15.077 -20.227  31.809
  147    HE3  LYS  18           HE1      LYS  18  16.307 -18.964  31.743
  148    HZ1  LYS  18           HZ1      LYS  18  16.150 -20.056  33.928
  149    HZ2  LYS  18           HZ2      LYS  18  14.557 -19.486  34.083
  150    HZ3  LYS  18           HZ3      LYS  18  15.852 -18.389  34.007
  151    HA   PRO  19           HA       PRO  19  13.149 -19.087  24.997
  152    HB2  PRO  19           HB2      PRO  19  15.927 -18.347  24.172
  153    HB3  PRO  19           HB1      PRO  19  14.452 -18.447  23.192
  154    HG2  PRO  19           HG2      PRO  19  15.496 -16.092  23.885
  155    HG3  PRO  19           HG1      PRO  19  13.739 -16.338  23.813
  156    HD2  PRO  19           HD2      PRO  19  15.523 -16.200  26.225
  157    HD3  PRO  19           HD1      PRO  19  13.868 -15.584  26.011
  158    H    ILE  20           HN       ILE  20  13.750 -21.222  24.858
  159    HA   ILE  20           HA       ILE  20  15.250 -22.329  27.009
  160    HB   ILE  20           HB       ILE  20  13.362 -23.510  25.950
  161   HG12  ILE  20          HG12      ILE  20  15.926 -25.061  25.506
  162   HG13  ILE  20          HG11      ILE  20  15.311 -24.693  27.121
  163   HG21  ILE  20          HG21      ILE  20  15.190 -24.082  23.615
  164   HG22  ILE  20          HG22      ILE  20  14.101 -22.693  23.600
  165   HG23  ILE  20          HG23      ILE  20  13.447 -24.324  23.731
  166   HD11  ILE  20          HD11      ILE  20  13.193 -25.844  26.578
  167   HD12  ILE  20          HD12      ILE  20  14.565 -26.933  26.382
  168   HD13  ILE  20          HD13      ILE  20  13.801 -26.214  24.965
  169    H    GLY  21           HN       GLY  21  17.153 -23.570  26.908
  170    HA2  GLY  21           HA2      GLY  21  19.191 -22.440  25.196
  171    HA3  GLY  21           HA1      GLY  21  19.435 -23.630  26.473
  172    H    GLU  22           HN       GLU  22  20.589 -23.682  23.835
  173    HA   GLU  22           HA       GLU  22  21.176 -25.321  22.327
  174    HB2  GLU  22           HB2      GLU  22  18.925 -26.987  23.472
  175    HB3  GLU  22           HB1      GLU  22  20.221 -27.539  22.436
  176    HG2  GLU  22           HG2      GLU  22  20.656 -26.308  25.164
  177    HG3  GLU  22           HG1      GLU  22  20.617 -28.039  24.854
  178    H    SER  23           HN       SER  23  20.098 -26.626  20.454
  179    HA   SER  23           HA       SER  23  18.634 -24.785  18.893
  180    HB2  SER  23           HB2      SER  23  20.124 -26.716  18.097
  181    HB3  SER  23           HB1      SER  23  18.723 -27.751  18.359
  182    HG   SER  23           HG       SER  23  17.698 -26.791  16.742
  183    H    TYR  24           HN       TYR  24  17.633 -27.060  21.246
  184    HA   TYR  24           HA       TYR  24  15.128 -27.884  20.441
  185    HB2  TYR  24           HB2      TYR  24  16.209 -27.076  23.138
  186    HB3  TYR  24           HB1      TYR  24  14.542 -27.620  22.958
  187    HD1  TYR  24           HD2      TYR  24  18.059 -28.611  22.114
  188    HD2  TYR  24           HD1      TYR  24  14.057 -29.923  22.947
  189    HE1  TYR  24           HE2      TYR  24  18.835 -30.961  22.118
  190    HE2  TYR  24           HE1      TYR  24  14.831 -32.279  22.941
  191    HH   TYR  24           HH       TYR  24  17.771 -33.245  23.358
  192    H    LYS  25           HN       LYS  25  16.210 -24.710  20.793
  193    HA   LYS  25           HA       LYS  25  13.673 -23.501  21.457
  194    HB2  LYS  25           HB2      LYS  25  14.832 -21.401  21.145
  195    HB3  LYS  25           HB1      LYS  25  15.876 -22.489  22.058
  196    HG2  LYS  25           HG2      LYS  25  17.051 -23.086  19.947
  197    HG3  LYS  25           HG1      LYS  25  16.060 -21.908  19.086
  198    HD2  LYS  25           HD2      LYS  25  16.895 -20.143  20.664
  199    HD3  LYS  25           HD1      LYS  25  18.003 -21.339  21.335
  200    HE2  LYS  25           HE2      LYS  25  17.908 -20.577  18.404
  201    HE3  LYS  25           HE1      LYS  25  19.047 -19.896  19.566
  202    HZ1  LYS  25           HZ1      LYS  25  20.310 -21.691  19.418
  203    HZ2  LYS  25           HZ2      LYS  25  19.330 -22.235  18.140
  204    HZ3  LYS  25           HZ3      LYS  25  19.003 -22.726  19.733
  205    H    ARG  26           HN       ARG  26  14.585 -25.133  18.847
  206    HA   ARG  26           HA       ARG  26  14.018 -23.435  16.662
  207    HB2  ARG  26           HB2      ARG  26  15.199 -25.594  16.457
  208    HB3  ARG  26           HB1      ARG  26  13.706 -26.436  16.871
  209    HG2  ARG  26           HG2      ARG  26  12.591 -25.486  14.899
  210    HG3  ARG  26           HG1      ARG  26  14.045 -24.571  14.501
  211    HD2  ARG  26           HD2      ARG  26  13.942 -26.595  13.138
  212    HD3  ARG  26           HD1      ARG  26  15.292 -26.703  14.264
  213    HE   ARG  26           HE       ARG  26  12.981 -27.877  15.421
  214   HH11  ARG  26          HH21      ARG  26  15.348 -28.339  12.938
  215   HH12  ARG  26          HH22      ARG  26  15.268 -30.068  12.992
  216   HH21  ARG  26          HH11      ARG  26  12.872 -30.144  15.497
  217   HH22  ARG  26          HH12      ARG  26  13.866 -31.090  14.440
  218    H    ILE  27           HN       ILE  27  12.017 -25.582  18.644
  219    HA   ILE  27           HA       ILE  27   9.670 -25.370  17.122
  220    HB   ILE  27           HB       ILE  27  10.080 -27.021  18.972
  221   HG12  ILE  27          HG12      ILE  27   7.744 -26.906  19.871
  222   HG13  ILE  27          HG11      ILE  27   7.595 -25.328  19.115
  223   HG21  ILE  27          HG21      ILE  27   9.272 -24.770  20.805
  224   HG22  ILE  27          HG22      ILE  27  10.959 -25.203  20.526
  225   HG23  ILE  27          HG23      ILE  27   9.855 -26.375  21.244
  226   HD11  ILE  27          HD11      ILE  27   7.497 -26.194  16.978
  227   HD12  ILE  27          HD12      ILE  27   6.798 -27.547  17.861
  228   HD13  ILE  27          HD13      ILE  27   8.490 -27.594  17.379
  229    H    LEU  28           HN       LEU  28  10.921 -23.443  19.808
  230    HA   LEU  28           HA       LEU  28   8.670 -21.698  19.945
  231    HB2  LEU  28           HB2      LEU  28  10.249 -22.039  21.832
  232    HB3  LEU  28           HB1      LEU  28  11.505 -21.226  20.902
  233    HG   LEU  28           HG       LEU  28  10.094 -19.185  20.805
  234   HD11  LEU  28          HD11      LEU  28   8.157 -19.286  22.642
  235   HD12  LEU  28          HD12      LEU  28   8.167 -21.001  22.233
  236   HD13  LEU  28          HD13      LEU  28   7.854 -19.796  20.984
  237   HD21  LEU  28          HD21      LEU  28  10.221 -18.686  23.293
  238   HD22  LEU  28          HD22      LEU  28  11.712 -19.300  22.577
  239   HD23  LEU  28          HD23      LEU  28  10.683 -20.371  23.527
  240    H    ALA  29           HN       ALA  29  11.748 -21.654  18.231
  241    HA   ALA  29           HA       ALA  29  11.718 -18.992  17.328
  242    HB1  ALA  29           HB1      ALA  29  13.688 -20.465  17.170
  243    HB2  ALA  29           HB2      ALA  29  13.288 -19.745  15.610
  244    HB3  ALA  29           HB3      ALA  29  12.864 -21.425  15.941
  245    H    LYS  30           HN       LYS  30   9.900 -21.764  16.313
  246    HA   LYS  30           HA       LYS  30   9.247 -21.011  13.681
  247    HB2  LYS  30           HB2      LYS  30   7.722 -22.613  15.736
  248    HB3  LYS  30           HB1      LYS  30   7.164 -22.406  14.084
  249    HG2  LYS  30           HG2      LYS  30   9.957 -23.408  14.612
  250    HG3  LYS  30           HG1      LYS  30   8.593 -24.518  14.687
  251    HD2  LYS  30           HD2      LYS  30   7.942 -23.840  12.396
  252    HD3  LYS  30           HD1      LYS  30   9.346 -22.790  12.308
  253    HE2  LYS  30           HE2      LYS  30  10.836 -24.711  12.631
  254    HE3  LYS  30           HE1      LYS  30   9.440 -25.783  12.745
  255    HZ1  LYS  30           HZ1      LYS  30   9.756 -25.995  10.549
  256    HZ2  LYS  30           HZ2      LYS  30  10.641 -24.551  10.417
  257    HZ3  LYS  30           HZ3      LYS  30   8.943 -24.510  10.448
  258    H    LEU  31           HN       LEU  31   7.900 -20.068  16.781
  259    HA   LEU  31           HA       LEU  31   5.524 -18.899  16.010
  260    HB2  LEU  31           HB2      LEU  31   7.529 -18.216  18.147
  261    HB3  LEU  31           HB1      LEU  31   6.125 -17.184  17.906
  262    HG   LEU  31           HG       LEU  31   5.784 -18.977  19.633
  263   HD11  LEU  31          HD11      LEU  31   3.557 -19.225  19.097
  264   HD12  LEU  31          HD12      LEU  31   3.881 -19.685  17.430
  265   HD13  LEU  31          HD13      LEU  31   3.958 -17.992  17.908
  266   HD21  LEU  31          HD21      LEU  31   5.638 -21.285  18.975
  267   HD22  LEU  31          HD22      LEU  31   7.169 -20.682  18.352
  268   HD23  LEU  31          HD23      LEU  31   5.792 -20.873  17.269
  269    H    GLN  32           HN       GLN  32   8.809 -17.661  15.674
  270    HA   GLN  32           HA       GLN  32   8.159 -15.025  14.895
  271    HB2  GLN  32           HB2      GLN  32  10.439 -15.743  15.532
  272    HB3  GLN  32           HB1      GLN  32  10.532 -16.713  14.063
  273    HG2  GLN  32           HG2      GLN  32  10.286 -14.712  12.682
  274    HG3  GLN  32           HG1      GLN  32  10.080 -13.716  14.122
  275   HE21  GLN  32          HE21      GLN  32  11.969 -12.703  14.777
  276   HE22  GLN  32          HE22      GLN  32  13.538 -13.285  14.492
  277    H    ARG  33           HN       ARG  33   8.931 -17.898  12.912
  278    HA   ARG  33           HA       ARG  33   8.344 -16.663  10.425
  279    HB2  ARG  33           HB2      ARG  33   8.631 -19.515  11.340
  280    HB3  ARG  33           HB1      ARG  33   8.086 -19.166   9.703
  281    HG2  ARG  33           HG2      ARG  33  10.555 -17.789  10.750
  282    HG3  ARG  33           HG1      ARG  33  10.667 -19.459  10.200
  283    HD2  ARG  33           HD2      ARG  33   9.721 -18.820   8.017
  284    HD3  ARG  33           HD1      ARG  33   9.579 -17.152   8.552
  285    HE   ARG  33           HE       ARG  33  12.264 -18.187   8.777
  286   HH11  ARG  33          HH21      ARG  33   9.885 -16.761   6.711
  287   HH12  ARG  33          HH22      ARG  33  11.042 -16.039   5.643
  288   HH21  ARG  33          HH11      ARG  33  13.793 -17.239   7.380
  289   HH22  ARG  33          HH12      ARG  33  13.253 -16.309   6.021
  290    H    ILE  34           HN       ILE  34   6.414 -18.662  12.617
  291    HA   ILE  34           HA       ILE  34   4.135 -18.865  10.959
  292    HB   ILE  34           HB       ILE  34   4.434 -18.965  13.965
  293   HG12  ILE  34          HG12      ILE  34   5.637 -20.736  12.746
  294   HG13  ILE  34          HG11      ILE  34   4.275 -21.413  13.621
  295   HG21  ILE  34          HG21      ILE  34   2.147 -18.449  13.601
  296   HG22  ILE  34          HG22      ILE  34   2.194 -20.201  13.793
  297   HG23  ILE  34          HG23      ILE  34   2.057 -19.493  12.183
  298   HD11  ILE  34          HD11      ILE  34   3.054 -20.964  11.260
  299   HD12  ILE  34          HD12      ILE  34   3.949 -22.441  11.583
  300   HD13  ILE  34          HD13      ILE  34   4.710 -21.130  10.686
  301    H    HIS  35           HN       HIS  35   5.054 -16.525  13.472
  302    HA   HIS  35           HA       HIS  35   2.669 -15.028  13.476
  303    HB2  HIS  35           HB2      HIS  35   4.399 -14.791  15.205
  304    HB3  HIS  35           HB1      HIS  35   5.502 -14.101  14.015
  305    HD2  HIS  35           HD2      HIS  35   5.310 -11.350  13.874
  306    HE1  HIS  35           HE1      HIS  35   1.461 -10.932  15.557
  307    HE2  HIS  35           HE2      HIS  35   3.471  -9.669  14.654
  308    H    ASN  36           HN       ASN  36   5.732 -14.381  11.741
  309    HA   ASN  36           HA       ASN  36   4.615 -12.214  10.227
  310    HB2  ASN  36           HB2      ASN  36   7.014 -12.325  10.721
  311    HB3  ASN  36           HB1      ASN  36   7.147 -13.815   9.791
  312   HD21  ASN  36          HD21      ASN  36   8.705 -11.628   8.995
  313   HD22  ASN  36          HD22      ASN  36   8.098 -10.993   7.543
  314    H    SER  37           HN       SER  37   5.370 -15.605   9.545
  315    HA   SER  37           HA       SER  37   4.272 -15.406   6.846
  316    HB2  SER  37           HB2      SER  37   5.091 -18.019   8.071
  317    HB3  SER  37           HB1      SER  37   5.287 -17.440   6.418
  318    HG   SER  37           HG       SER  37   6.917 -16.083   7.117
  319    H    ASN  38           HN       ASN  38   2.714 -15.264   9.528
  320    HA   ASN  38           HA       ASN  38   1.067 -17.441   9.916
  321    HB2  ASN  38           HB2      ASN  38   1.070 -15.195  11.157
  322    HB3  ASN  38           HB1      ASN  38   0.011 -14.613   9.877
  323   HD21  ASN  38          HD21      ASN  38  -1.970 -14.497  11.043
  324   HD22  ASN  38          HD22      ASN  38  -2.701 -15.847  11.766
  325    H    ILE  39           HN       ILE  39  -0.928 -18.106   9.070
  326    HA   ILE  39           HA       ILE  39  -2.062 -18.823   7.160
  327    HB   ILE  39           HB       ILE  39  -3.630 -17.031   6.435
  328   HG12  ILE  39          HG12      ILE  39  -2.180 -15.398   8.491
  329   HG13  ILE  39          HG11      ILE  39  -1.917 -15.223   6.762
  330   HG21  ILE  39          HG21      ILE  39  -4.743 -16.887   8.596
  331   HG22  ILE  39          HG22      ILE  39  -3.238 -17.279   9.429
  332   HG23  ILE  39          HG23      ILE  39  -4.030 -18.490   8.421
  333   HD11  ILE  39          HD11      ILE  39  -3.570 -13.587   7.485
  334   HD12  ILE  39          HD12      ILE  39  -4.533 -14.859   8.235
  335   HD13  ILE  39          HD13      ILE  39  -4.356 -14.803   6.481
  336    H    LEU  40           HN       LEU  40   0.476 -18.610   6.269
  337    HA   LEU  40           HA       LEU  40   0.304 -17.076   3.737
  338    HB2  LEU  40           HB2      LEU  40   2.203 -16.539   5.294
  339    HB3  LEU  40           HB1      LEU  40   2.771 -18.192   5.089
  340    HG   LEU  40           HG       LEU  40   2.894 -17.801   2.622
  341   HD11  LEU  40          HD11      LEU  40   1.863 -15.112   3.484
  342   HD12  LEU  40          HD12      LEU  40   1.483 -16.046   2.040
  343   HD13  LEU  40          HD13      LEU  40   3.002 -15.169   2.139
  344   HD21  LEU  40          HD21      LEU  40   4.919 -16.380   2.737
  345   HD22  LEU  40          HD22      LEU  40   4.883 -17.559   4.048
  346   HD23  LEU  40          HD23      LEU  40   4.462 -15.875   4.362
  347    H    ASP  41           HN       ASP  41   0.068 -18.197   1.921
  348    HA   ASP  41           HA       ASP  41  -0.417 -20.875   1.710
  349    HB2  ASP  41           HB2      ASP  41   0.168 -20.651  -0.700
  350    HB3  ASP  41           HB1      ASP  41  -0.871 -19.353  -0.115
  351    H    GLU  42           HN       GLU  42   2.706 -19.290   1.550
  352    HA   GLU  42           HA       GLU  42   4.175 -21.628   0.860
  353    HB2  GLU  42           HB2      GLU  42   4.926 -18.989   2.086
  354    HB3  GLU  42           HB1      GLU  42   6.117 -20.242   1.728
  355    HG2  GLU  42           HG2      GLU  42   5.407 -20.234  -0.638
  356    HG3  GLU  42           HG1      GLU  42   4.221 -18.981  -0.276
  357    H    ARG  43           HN       ARG  43   3.256 -20.117   3.918
  358    HA   ARG  43           HA       ARG  43   4.780 -22.050   5.482
  359    HB2  ARG  43           HB2      ARG  43   4.445 -19.567   6.058
  360    HB3  ARG  43           HB1      ARG  43   2.826 -20.026   6.554
  361    HG2  ARG  43           HG2      ARG  43   4.105 -20.149   8.546
  362    HG3  ARG  43           HG1      ARG  43   3.941 -21.815   8.018
  363    HD2  ARG  43           HD2      ARG  43   6.289 -21.040   8.755
  364    HD3  ARG  43           HD1      ARG  43   6.189 -21.904   7.235
  365    HE   ARG  43           HE       ARG  43   5.992 -19.040   6.948
  366   HH11  ARG  43          HH21      ARG  43   8.073 -21.795   7.176
  367   HH12  ARG  43          HH22      ARG  43   9.394 -21.030   6.356
  368   HH21  ARG  43          HH11      ARG  43   7.711 -18.035   5.889
  369   HH22  ARG  43          HH12      ARG  43   9.190 -18.898   5.628
  370    H    GLN  44           HN       GLN  44   1.586 -21.741   4.227
  371    HA   GLN  44           HA       GLN  44  -0.051 -22.975   6.037
  372    HB2  GLN  44           HB2      GLN  44   0.101 -23.161   3.037
  373    HB3  GLN  44           HB1      GLN  44  -1.065 -24.156   3.908
  374    HG2  GLN  44           HG2      GLN  44  -1.958 -22.101   4.996
  375    HG3  GLN  44           HG1      GLN  44  -0.844 -21.135   4.033
  376   HE21  GLN  44          HE21      GLN  44  -1.376 -23.376   1.843
  377   HE22  GLN  44          HE22      GLN  44  -2.811 -22.827   1.121
  378    H    GLY  45           HN       GLY  45   2.434 -24.499   4.048
  379    HA2  GLY  45           HA2      GLY  45   1.736 -27.182   4.705
  380    HA3  GLY  45           HA1      GLY  45   3.269 -26.643   4.023
  381    H    LEU  46           HN       LEU  46   4.177 -24.897   5.931
  382    HA   LEU  46           HA       LEU  46   5.274 -26.649   7.855
  383    HB2  LEU  46           HB2      LEU  46   6.075 -24.291   6.896
  384    HB3  LEU  46           HB1      LEU  46   5.248 -23.693   8.325
  385    HG   LEU  46           HG       LEU  46   7.577 -24.049   8.887
  386   HD11  LEU  46          HD11      LEU  46   5.685 -24.766  10.488
  387   HD12  LEU  46          HD12      LEU  46   7.308 -25.360  10.828
  388   HD13  LEU  46          HD13      LEU  46   6.133 -26.416  10.067
  389   HD21  LEU  46          HD21      LEU  46   8.830 -25.852   8.232
  390   HD22  LEU  46          HD22      LEU  46   7.575 -26.062   7.017
  391   HD23  LEU  46          HD23      LEU  46   7.525 -27.005   8.503
  392    H    MET  47           HN       MET  47   2.687 -24.229   8.017
  393    HA   MET  47           HA       MET  47   2.207 -24.243  10.767
  394    HB2  MET  47           HB2      MET  47   1.145 -22.730   9.027
  395    HB3  MET  47           HB1      MET  47   0.063 -24.065   8.641
  396    HG2  MET  47           HG2      MET  47  -1.211 -22.931  10.230
  397    HG3  MET  47           HG1      MET  47  -0.352 -24.065  11.269
  398    HE1  MET  47           HE1      MET  47  -1.137 -20.200  10.919
  399    HE2  MET  47           HE2      MET  47  -0.371 -20.870   9.481
  400    HE3  MET  47           HE3      MET  47   0.488 -19.679  10.454
  401    H    HIS  48           HN       HIS  48   0.867 -26.345   8.221
  402    HA   HIS  48           HA       HIS  48  -0.776 -27.883   9.957
  403    HB2  HIS  48           HB2      HIS  48  -1.123 -27.814   7.524
  404    HB3  HIS  48           HB1      HIS  48   0.423 -28.631   7.281
  405    HD2  HIS  48           HD2      HIS  48   0.126 -31.367   7.163
  406    HE1  HIS  48           HE1      HIS  48  -3.484 -31.682   9.330
  407    HE2  HIS  48           HE2      HIS  48  -1.726 -32.985   8.042
  408    H    GLU  49           HN       GLU  49   2.485 -28.421   8.635
  409    HA   GLU  49           HA       GLU  49   2.888 -30.937   9.894
  410    HB2  GLU  49           HB2      GLU  49   4.844 -28.885   8.835
  411    HB3  GLU  49           HB1      GLU  49   5.314 -30.482   9.422
  412    HG2  GLU  49           HG2      GLU  49   3.887 -31.551   7.744
  413    HG3  GLU  49           HG1      GLU  49   3.330 -29.975   7.185
  414    H    LEU  50           HN       LEU  50   3.316 -27.627  10.908
  415    HA   LEU  50           HA       LEU  50   5.003 -28.043  13.121
  416    HB2  LEU  50           HB2      LEU  50   4.482 -25.816  12.154
  417    HB3  LEU  50           HB1      LEU  50   2.848 -25.942  12.786
  418    HG   LEU  50           HG       LEU  50   3.763 -26.105  15.082
  419   HD11  LEU  50          HD11      LEU  50   5.907 -27.009  14.988
  420   HD12  LEU  50          HD12      LEU  50   6.303 -25.304  15.163
  421   HD13  LEU  50          HD13      LEU  50   6.362 -26.064  13.573
  422   HD21  LEU  50          HD21      LEU  50   3.251 -23.886  13.849
  423   HD22  LEU  50          HD22      LEU  50   5.001 -23.699  13.743
  424   HD23  LEU  50          HD23      LEU  50   4.219 -23.798  15.320
  425    H    MET  51           HN       MET  51   1.493 -28.189  12.749
  426    HA   MET  51           HA       MET  51   0.699 -28.348  15.403
  427    HB2  MET  51           HB2      MET  51  -0.865 -28.227  13.492
  428    HB3  MET  51           HB1      MET  51  -0.443 -29.883  13.056
  429    HG2  MET  51           HG2      MET  51  -1.296 -30.702  15.198
  430    HG3  MET  51           HG1      MET  51  -1.631 -29.052  15.719
  431    HE1  MET  51           HE1      MET  51  -3.706 -31.651  12.647
  432    HE2  MET  51           HE2      MET  51  -2.059 -31.737  13.261
  433    HE3  MET  51           HE3      MET  51  -2.445 -30.627  11.950
  434    H    GLU  52           HN       GLU  52   1.738 -30.979  13.240
  435    HA   GLU  52           HA       GLU  52   1.456 -33.034  15.189
  436    HB2  GLU  52           HB2      GLU  52   3.154 -32.910  12.684
  437    HB3  GLU  52           HB1      GLU  52   2.854 -34.369  13.629
  438    HG2  GLU  52           HG2      GLU  52   0.681 -32.670  12.371
  439    HG3  GLU  52           HG1      GLU  52   1.325 -34.149  11.660
  440    H    LEU  53           HN       LEU  53   4.153 -30.981  14.165
  441    HA   LEU  53           HA       LEU  53   6.171 -32.254  15.661
  442    HB2  LEU  53           HB2      LEU  53   6.673 -30.643  13.881
  443    HB3  LEU  53           HB1      LEU  53   5.936 -29.352  14.824
  444    HG   LEU  53           HG       LEU  53   7.631 -29.651  16.591
  445   HD11  LEU  53          HD11      LEU  53   8.254 -31.909  16.580
  446   HD12  LEU  53          HD12      LEU  53   9.658 -31.151  15.836
  447   HD13  LEU  53          HD13      LEU  53   8.451 -31.956  14.829
  448   HD21  LEU  53          HD21      LEU  53   9.601 -28.893  15.283
  449   HD22  LEU  53          HD22      LEU  53   8.117 -28.082  14.781
  450   HD23  LEU  53          HD23      LEU  53   8.785 -29.387  13.800
  451    H    ILE  54           HN       ILE  54   4.012 -29.543  16.446
  452    HA   ILE  54           HA       ILE  54   5.100 -28.987  18.984
  453    HB   ILE  54           HB       ILE  54   2.353 -28.504  17.847
  454   HG12  ILE  54          HG12      ILE  54   4.524 -27.358  16.929
  455   HG13  ILE  54          HG11      ILE  54   3.124 -26.369  17.300
  456   HG21  ILE  54          HG21      ILE  54   2.246 -26.796  19.763
  457   HG22  ILE  54          HG22      ILE  54   3.584 -27.688  20.483
  458   HG23  ILE  54          HG23      ILE  54   2.037 -28.491  20.210
  459   HD11  ILE  54          HD11      ILE  54   5.470 -25.596  18.154
  460   HD12  ILE  54          HD12      ILE  54   5.212 -26.791  19.419
  461   HD13  ILE  54          HD13      ILE  54   4.079 -25.462  19.220
  462    H    ASP  55           HN       ASP  55   2.424 -31.080  17.971
  463    HA   ASP  55           HA       ASP  55   1.615 -31.867  20.563
  464    HB2  ASP  55           HB2      ASP  55   0.161 -32.172  18.638
  465    HB3  ASP  55           HB1      ASP  55   1.321 -33.279  17.904
  466    H    LEU  56           HN       LEU  56   4.029 -33.113  18.314
  467    HA   LEU  56           HA       LEU  56   4.524 -35.559  19.597
  468    HB2  LEU  56           HB2      LEU  56   6.121 -33.787  17.777
  469    HB3  LEU  56           HB1      LEU  56   6.892 -35.193  18.506
  470    HG   LEU  56           HG       LEU  56   4.227 -35.508  17.119
  471   HD11  LEU  56          HD11      LEU  56   6.943 -35.207  15.833
  472   HD12  LEU  56          HD12      LEU  56   5.418 -34.452  15.371
  473   HD13  LEU  56          HD13      LEU  56   5.677 -36.169  15.070
  474   HD21  LEU  56          HD21      LEU  56   6.643 -37.300  17.567
  475   HD22  LEU  56          HD22      LEU  56   5.214 -37.775  16.654
  476   HD23  LEU  56          HD23      LEU  56   5.081 -37.429  18.373
  477    H    TYR  57           HN       TYR  57   5.996 -32.363  20.061
  478    HA   TYR  57           HA       TYR  57   7.734 -33.323  22.175
  479    HB2  TYR  57           HB2      TYR  57   7.168 -30.642  20.924
  480    HB3  TYR  57           HB1      TYR  57   8.076 -30.741  22.434
  481    HD1  TYR  57           HD1      TYR  57   7.967 -32.270  19.003
  482    HD2  TYR  57           HD2      TYR  57  10.393 -31.093  22.347
  483    HE1  TYR  57           HE1      TYR  57  10.013 -32.892  17.742
  484    HE2  TYR  57           HE2      TYR  57  12.434 -31.712  21.085
  485    HH   TYR  57           HH       TYR  57  12.683 -33.611  18.811
  486    H    GLU  58           HN       GLU  58   5.073 -30.939  22.058
  487    HA   GLU  58           HA       GLU  58   4.722 -30.440  24.714
  488    HB2  GLU  58           HB2      GLU  58   2.613 -30.809  22.584
  489    HB3  GLU  58           HB1      GLU  58   2.266 -30.180  24.195
  490    HG2  GLU  58           HG2      GLU  58   4.306 -28.977  22.300
  491    HG3  GLU  58           HG1      GLU  58   2.661 -28.378  22.500
  492    H    GLU  59           HN       GLU  59   4.329 -33.462  23.173
  493    HA   GLU  59           HA       GLU  59   2.491 -34.605  25.050
  494    HB2  GLU  59           HB2      GLU  59   2.872 -35.569  22.811
  495    HB3  GLU  59           HB1      GLU  59   4.527 -35.962  23.270
  496    HG2  GLU  59           HG2      GLU  59   3.731 -37.447  25.026
  497    HG3  GLU  59           HG1      GLU  59   2.060 -36.984  24.701
  498    H    SER  60           HN       SER  60   6.026 -35.025  24.629
  499    HA   SER  60           HA       SER  60   6.263 -36.115  27.342
  500    HB2  SER  60           HB2      SER  60   8.525 -36.687  26.702
  501    HB3  SER  60           HB1      SER  60   7.400 -37.218  25.456
  502    HG   SER  60           HG       SER  60   7.985 -35.473  24.211
  503    H    GLN  61           HN       GLN  61   6.645 -33.074  25.821
  504    HA   GLN  61           HA       GLN  61   8.817 -32.027  27.295
  505    HB2  GLN  61           HB2      GLN  61   7.126 -31.122  25.264
  506    HB3  GLN  61           HB1      GLN  61   6.790 -30.022  26.584
  507    HG2  GLN  61           HG2      GLN  61   9.281 -29.667  26.797
  508    HG3  GLN  61           HG1      GLN  61   9.476 -30.612  25.320
  509   HE21  GLN  61          HE21      GLN  61  10.136 -28.871  23.923
  510   HE22  GLN  61          HE22      GLN  61   9.120 -27.563  23.552
  511    HA   PRO  62           HA       PRO  62   5.783 -30.681  30.617
  512    HB2  PRO  62           HB2      PRO  62   3.105 -31.018  30.240
  513    HB3  PRO  62           HB1      PRO  62   4.018 -29.719  29.446
  514    HG2  PRO  62           HG2      PRO  62   2.827 -32.118  28.261
  515    HG3  PRO  62           HG1      PRO  62   3.417 -30.648  27.469
  516    HD2  PRO  62           HD2      PRO  62   4.798 -33.226  27.833
  517    HD3  PRO  62           HD1      PRO  62   5.233 -31.853  26.791
  518    H    SER  63           HN       SER  63   6.680 -32.372  31.802
  519    HA   SER  63           HA       SER  63   5.457 -34.963  32.060
  520    HB2  SER  63           HB2      SER  63   7.193 -35.361  33.699
  521    HB3  SER  63           HB1      SER  63   7.911 -34.507  32.336
  522    HG   SER  63           HG       SER  63   7.974 -33.789  34.836
  523    H    SER  64           HN       SER  64   4.609 -31.948  33.131
  524    HA   SER  64           HA       SER  64   3.335 -32.970  35.611
  525    HB2  SER  64           HB2      SER  64   3.366 -30.712  36.453
  526    HB3  SER  64           HB1      SER  64   4.991 -31.114  35.906
  527    HG   SER  64           HG       SER  64   4.525 -30.014  33.965
  528    H    GLU  65           HN       GLU  65   2.424 -33.023  32.715
  529    HA   GLU  65           HA       GLU  65   0.480 -32.733  31.544
  530    HB2  GLU  65           HB2      GLU  65  -0.586 -32.432  34.352
  531    HB3  GLU  65           HB1      GLU  65  -1.607 -32.548  32.919
  532    HG2  GLU  65           HG2      GLU  65  -0.638 -34.726  32.366
  533    HG3  GLU  65           HG1      GLU  65   0.454 -34.610  33.745
  534    H    ARG  66           HN       ARG  66   2.152 -30.442  31.828
  535    HA   ARG  66           HA       ARG  66   0.456 -28.155  32.386
  536    HB2  ARG  66           HB2      ARG  66   2.956 -28.276  32.834
  537    HB3  ARG  66           HB1      ARG  66   3.178 -28.122  31.091
  538    HG2  ARG  66           HG2      ARG  66   1.962 -26.000  31.088
  539    HG3  ARG  66           HG1      ARG  66   1.632 -26.162  32.813
  540    HD2  ARG  66           HD2      ARG  66   3.529 -24.674  32.516
  541    HD3  ARG  66           HD1      ARG  66   4.094 -26.181  33.233
  542    HE   ARG  66           HE       ARG  66   4.284 -26.326  30.403
  543   HH11  ARG  66          HH21      ARG  66   5.673 -24.825  33.190
  544   HH12  ARG  66          HH22      ARG  66   7.251 -24.666  32.492
  545   HH21  ARG  66          HH11      ARG  66   6.348 -26.125  29.476
  546   HH22  ARG  66          HH12      ARG  66   7.633 -25.403  30.387
  547    H    LEU  67           HN       LEU  67   1.128 -30.126  29.655
  548    HA   LEU  67           HA       LEU  67   1.109 -28.509  27.463
  549    HB2  LEU  67           HB2      LEU  67  -0.327 -30.245  26.337
  550    HB3  LEU  67           HB1      LEU  67   1.111 -30.872  27.128
  551    HG   LEU  67           HG       LEU  67  -1.238 -30.765  28.941
  552   HD11  LEU  67          HD11      LEU  67  -2.258 -32.840  27.873
  553   HD12  LEU  67          HD12      LEU  67  -1.357 -32.415  26.416
  554   HD13  LEU  67          HD13      LEU  67  -2.571 -31.309  27.056
  555   HD21  LEU  67          HD21      LEU  67  -0.491 -33.052  29.453
  556   HD22  LEU  67          HD22      LEU  67   0.875 -31.937  29.443
  557   HD23  LEU  67          HD23      LEU  67   0.608 -33.011  28.074
  558    H    ASN  68           HN       ASN  68  -1.438 -28.868  29.785
  559    HA   ASN  68           HA       ASN  68  -3.715 -28.140  28.427
  560    HB2  ASN  68           HB2      ASN  68  -2.730 -27.389  31.178
  561    HB3  ASN  68           HB1      ASN  68  -4.311 -26.874  30.590
  562   HD21  ASN  68          HD21      ASN  68  -4.049 -28.678  32.811
  563   HD22  ASN  68          HD22      ASN  68  -4.662 -30.189  32.337
  564    H    ALA  69           HN       ALA  69  -0.936 -26.167  29.220
  565    HA   ALA  69           HA       ALA  69  -2.221 -23.673  28.439
  566    HB1  ALA  69           HB1      ALA  69  -0.024 -22.679  28.883
  567    HB2  ALA  69           HB2      ALA  69   0.671 -24.288  29.081
  568    HB3  ALA  69           HB3      ALA  69  -0.532 -23.698  30.229
  569    H    PHE  70           HN       PHE  70   0.351 -25.794  27.178
  570    HA   PHE  70           HA       PHE  70   0.869 -24.292  24.830
  571    HB2  PHE  70           HB2      PHE  70   1.361 -27.182  25.544
  572    HB3  PHE  70           HB1      PHE  70   1.856 -26.484  24.004
  573    HD1  PHE  70           HD2      PHE  70   3.510 -24.640  23.929
  574    HD2  PHE  70           HD1      PHE  70   2.514 -26.636  27.600
  575    HE1  PHE  70           HE2      PHE  70   5.542 -23.698  24.991
  576    HE2  PHE  70           HE1      PHE  70   4.549 -25.693  28.663
  577    HZ   PHE  70           HZ       PHE  70   6.062 -24.224  27.358
  578    H    ARG  71           HN       ARG  71  -1.413 -26.854  25.563
  579    HA   ARG  71           HA       ARG  71  -2.242 -27.652  23.066
  580    HB2  ARG  71           HB2      ARG  71  -3.932 -27.118  25.520
  581    HB3  ARG  71           HB1      ARG  71  -4.483 -28.002  24.099
  582    HG2  ARG  71           HG2      ARG  71  -1.898 -29.001  25.152
  583    HG3  ARG  71           HG1      ARG  71  -3.215 -29.156  26.310
  584    HD2  ARG  71           HD2      ARG  71  -3.419 -30.088  23.443
  585    HD3  ARG  71           HD1      ARG  71  -2.883 -31.135  24.752
  586    HE   ARG  71           HE       ARG  71  -5.363 -29.880  25.405
  587   HH11  ARG  71          HH21      ARG  71  -3.906 -32.350  23.473
  588   HH12  ARG  71          HH22      ARG  71  -5.328 -33.338  23.418
  589   HH21  ARG  71          HH11      ARG  71  -7.230 -31.167  25.343
  590   HH22  ARG  71          HH12      ARG  71  -7.212 -32.667  24.476
  591    H    GLU  72           HN       GLU  72  -2.626 -24.576  24.599
  592    HA   GLU  72           HA       GLU  72  -4.819 -23.577  23.112
  593    HB2  GLU  72           HB2      GLU  72  -2.460 -22.176  24.396
  594    HB3  GLU  72           HB1      GLU  72  -3.833 -21.329  23.682
  595    HG2  GLU  72           HG2      GLU  72  -5.369 -22.439  25.224
  596    HG3  GLU  72           HG1      GLU  72  -4.042 -23.384  25.901
  597    H    LEU  73           HN       LEU  73  -1.316 -23.529  22.576
  598    HA   LEU  73           HA       LEU  73  -1.404 -22.072  20.138
  599    HB2  LEU  73           HB2      LEU  73   0.655 -22.349  21.538
  600    HB3  LEU  73           HB1      LEU  73   0.713 -24.041  21.052
  601    HG   LEU  73           HG       LEU  73   0.833 -23.319  18.660
  602   HD11  LEU  73          HD11      LEU  73   0.582 -20.625  19.956
  603   HD12  LEU  73          HD12      LEU  73  -0.092 -21.199  18.434
  604   HD13  LEU  73          HD13      LEU  73   1.607 -20.749  18.526
  605   HD21  LEU  73          HD21      LEU  73   2.992 -21.946  20.272
  606   HD22  LEU  73          HD22      LEU  73   3.149 -22.759  18.714
  607   HD23  LEU  73          HD23      LEU  73   2.867 -23.702  20.177
  608    H    ARG  74           HN       ARG  74  -1.643 -25.472  20.976
  609    HA   ARG  74           HA       ARG  74  -1.277 -26.605  18.433
  610    HB2  ARG  74           HB2      ARG  74  -1.378 -27.898  20.570
  611    HB3  ARG  74           HB1      ARG  74  -3.113 -27.588  20.638
  612    HG2  ARG  74           HG2      ARG  74  -3.383 -28.703  18.439
  613    HG3  ARG  74           HG1      ARG  74  -1.655 -29.051  18.417
  614    HD2  ARG  74           HD2      ARG  74  -2.748 -31.026  19.220
  615    HD3  ARG  74           HD1      ARG  74  -1.985 -30.266  20.614
  616    HE   ARG  74           HE       ARG  74  -4.617 -29.289  20.407
  617   HH11  ARG  74          HH21      ARG  74  -2.862 -32.200  21.055
  618   HH12  ARG  74          HH22      ARG  74  -4.096 -32.882  22.062
  619   HH21  ARG  74          HH11      ARG  74  -6.235 -30.171  21.724
  620   HH22  ARG  74          HH12      ARG  74  -6.008 -31.731  22.441
  621    H    THR  75           HN       THR  75  -4.154 -25.395  20.083
  622    HA   THR  75           HA       THR  75  -6.016 -26.038  18.078
  623    HB   THR  75           HB       THR  75  -6.070 -23.880  20.129
  624    HG1  THR  75           HG1      THR  75  -7.751 -25.777  20.669
  625   HG21  THR  75          HG21      THR  75  -8.571 -24.075  19.736
  626   HG22  THR  75          HG22      THR  75  -8.163 -24.956  18.265
  627   HG23  THR  75          HG23      THR  75  -7.646 -23.282  18.461
  628    H    GLN  76           HN       GLN  76  -3.999 -23.209  18.652
  629    HA   GLN  76           HA       GLN  76  -5.053 -21.450  16.769
  630    HB2  GLN  76           HB2      GLN  76  -3.207 -20.993  18.445
  631    HB3  GLN  76           HB1      GLN  76  -2.102 -21.798  17.331
  632    HG2  GLN  76           HG2      GLN  76  -2.813 -20.200  15.546
  633    HG3  GLN  76           HG1      GLN  76  -3.778 -19.349  16.751
  634   HE21  GLN  76          HE21      GLN  76  -2.517 -18.482  18.689
  635   HE22  GLN  76          HE22      GLN  76  -0.914 -17.987  18.435
  636    H    LEU  77           HN       LEU  77  -2.536 -23.938  16.342
  637    HA   LEU  77           HA       LEU  77  -2.114 -23.465  13.576
  638    HB2  LEU  77           HB2      LEU  77  -1.728 -26.071  15.070
  639    HB3  LEU  77           HB1      LEU  77  -0.945 -25.582  13.568
  640    HG   LEU  77           HG       LEU  77  -0.609 -24.206  16.247
  641   HD11  LEU  77          HD11      LEU  77   0.591 -26.235  16.374
  642   HD12  LEU  77          HD12      LEU  77   1.796 -25.050  15.877
  643   HD13  LEU  77          HD13      LEU  77   1.091 -26.144  14.686
  644   HD21  LEU  77          HD21      LEU  77  -0.309 -22.519  14.624
  645   HD22  LEU  77          HD22      LEU  77   0.428 -23.636  13.476
  646   HD23  LEU  77          HD23      LEU  77   1.327 -23.115  14.898
  647    H    GLU  78           HN       GLU  78  -4.284 -25.601  15.362
  648    HA   GLU  78           HA       GLU  78  -5.309 -26.994  13.114
  649    HB2  GLU  78           HB2      GLU  78  -5.528 -27.657  15.562
  650    HB3  GLU  78           HB1      GLU  78  -6.785 -26.429  15.695
  651    HG2  GLU  78           HG2      GLU  78  -6.873 -28.627  13.613
  652    HG3  GLU  78           HG1      GLU  78  -7.593 -28.804  15.210
  653    H    LYS  79           HN       LYS  79  -6.252 -24.021  14.769
  654    HA   LYS  79           HA       LYS  79  -8.681 -23.589  13.370
  655    HB2  LYS  79           HB2      LYS  79  -8.047 -22.453  15.496
  656    HB3  LYS  79           HB1      LYS  79  -6.843 -21.524  14.604
  657    HG2  LYS  79           HG2      LYS  79  -8.626 -20.626  13.138
  658    HG3  LYS  79           HG1      LYS  79  -9.827 -21.533  14.050
  659    HD2  LYS  79           HD2      LYS  79  -7.972 -19.530  15.357
  660    HD3  LYS  79           HD1      LYS  79  -9.536 -19.069  14.693
  661    HE2  LYS  79           HE2      LYS  79 -10.545 -20.908  16.170
  662    HE3  LYS  79           HE1      LYS  79  -8.979 -20.975  16.976
  663    HZ1  LYS  79           HZ1      LYS  79  -9.363 -18.385  17.025
  664    HZ2  LYS  79           HZ2      LYS  79  -9.960 -19.410  18.240
  665    HZ3  LYS  79           HZ3      LYS  79 -10.988 -18.869  17.001
  666    H    ALA  80           HN       ALA  80  -5.332 -22.599  12.826
  667    HA   ALA  80           HA       ALA  80  -5.795 -20.892  10.651
  668    HB1  ALA  80           HB1      ALA  80  -3.361 -22.612  11.176
  669    HB2  ALA  80           HB2      ALA  80  -3.641 -21.011  11.861
  670    HB3  ALA  80           HB3      ALA  80  -3.427 -21.199  10.122
  671    H    LEU  81           HN       LEU  81  -5.453 -24.379  10.872
  672    HA   LEU  81           HA       LEU  81  -5.138 -24.941   8.125
  673    HB2  LEU  81           HB2      LEU  81  -4.974 -26.477  10.278
  674    HB3  LEU  81           HB1      LEU  81  -6.668 -26.795   9.935
  675    HG   LEU  81           HG       LEU  81  -4.369 -27.186   7.992
  676   HD11  LEU  81          HD11      LEU  81  -4.403 -28.840   9.815
  677   HD12  LEU  81          HD12      LEU  81  -4.864 -29.585   8.285
  678   HD13  LEU  81          HD13      LEU  81  -6.100 -29.184   9.477
  679   HD21  LEU  81          HD21      LEU  81  -6.344 -28.505   6.806
  680   HD22  LEU  81          HD22      LEU  81  -6.178 -26.771   6.580
  681   HD23  LEU  81          HD23      LEU  81  -7.361 -27.397   7.728
  682    H    GLY  82           HN       GLY  82  -8.026 -24.565  10.161
  683    HA2  GLY  82           HA2      GLY  82  -9.943 -25.257   8.192
  684    HA3  GLY  82           HA1      GLY  82 -10.251 -24.285   9.630
  685    H    LEU  83           HN       LEU  83  -8.064 -22.402   8.769
  686    HA   LEU  83           HA       LEU  83  -7.956 -20.363   7.711
  687    HB2  LEU  83           HB2      LEU  83  -9.155 -22.048   5.504
  688    HB3  LEU  83           HB1      LEU  83  -8.542 -20.418   5.270
  689    HG   LEU  83           HG       LEU  83  -6.864 -22.649   6.458
  690   HD11  LEU  83          HD11      LEU  83  -7.435 -23.400   4.250
  691   HD12  LEU  83          HD12      LEU  83  -5.818 -22.703   4.135
  692   HD13  LEU  83          HD13      LEU  83  -7.217 -21.784   3.577
  693   HD21  LEU  83          HD21      LEU  83  -5.801 -20.602   6.957
  694   HD22  LEU  83          HD22      LEU  83  -6.331 -19.844   5.459
  695   HD23  LEU  83          HD23      LEU  83  -5.047 -21.045   5.430
  696    H    GLU  84           HN       GLU  84 -10.721 -21.588   8.794
  697    HA   GLU  84           HA       GLU  84 -12.717 -19.986   7.536
  698    HB2  GLU  84           HB2      GLU  84 -14.096 -20.597   9.515
  699    HB3  GLU  84           HB1      GLU  84 -13.332 -21.998   8.763
  700    HG2  GLU  84           HG2      GLU  84 -11.526 -21.918  10.442
  701    HG3  GLU  84           HG1      GLU  84 -12.290 -20.521  11.197
  702    H    HIS  85           HN       HIS  85 -13.522 -17.996   8.080
  703    HA   HIS  85           HA       HIS  85 -12.616 -16.623  10.482
  704    HB2  HIS  85           HB2      HIS  85 -11.794 -15.736   7.710
  705    HB3  HIS  85           HB1      HIS  85 -11.787 -14.659   9.106
  706    HD2  HIS  85           HD2      HIS  85  -9.756 -15.205  11.024
  707    HE1  HIS  85           HE1      HIS  85  -7.856 -18.248   8.800
  708    HE2  HIS  85           HE2      HIS  85  -7.661 -16.752  10.843
  709    H    HIS  86           HN       HIS  86 -14.868 -17.287   8.151
  710    HA   HIS  86           HA       HIS  86 -16.707 -15.300   9.199
  711    HB2  HIS  86           HB2      HIS  86 -17.324 -14.497   6.901
  712    HB3  HIS  86           HB1      HIS  86 -15.724 -13.985   7.435
  713    HD2  HIS  86           HD2      HIS  86 -17.224 -16.781   5.034
  714    HE1  HIS  86           HE1      HIS  86 -13.205 -16.051   3.964
  715    HE2  HIS  86           HE2      HIS  86 -15.310 -17.328   3.343
  716    H    HIS  87           HN       HIS  87 -18.933 -15.659   8.372
  717    HA   HIS  87           HA       HIS  87 -19.368 -18.531   7.775
  718    HB2  HIS  87           HB2      HIS  87 -20.323 -17.675   9.902
  719    HB3  HIS  87           HB1      HIS  87 -21.278 -16.514   8.981
  720    HD2  HIS  87           HD2      HIS  87 -23.638 -17.552   7.923
  721    HE1  HIS  87           HE1      HIS  87 -22.865 -21.623   8.736
  722    HE2  HIS  87           HE2      HIS  87 -24.599 -19.980   7.875
  723    H    HIS  88           HN       HIS  88 -19.601 -18.784   5.629
  724    HA   HIS  88           HA       HIS  88 -21.821 -17.471   4.310
  725    HB2  HIS  88           HB2      HIS  88 -18.982 -17.010   3.364
  726    HB3  HIS  88           HB1      HIS  88 -20.424 -16.642   2.415
  727    HD2  HIS  88           HD2      HIS  88 -18.162 -14.682   4.600
  728    HE1  HIS  88           HE1      HIS  88 -21.966 -13.027   5.379
  729    HE2  HIS  88           HE2      HIS  88 -19.466 -12.680   5.651
  730    H    HIS  89           HN       HIS  89 -22.089 -18.290   2.049
  731    HA   HIS  89           HA       HIS  89 -20.783 -20.845   1.468
  732    HB2  HIS  89           HB2      HIS  89 -22.984 -21.985   1.202
  733    HB3  HIS  89           HB1      HIS  89 -22.640 -21.542   2.873
  734    HD2  HIS  89           HD2      HIS  89 -25.402 -20.994   0.285
  735    HE1  HIS  89           HE1      HIS  89 -26.008 -18.073   3.273
  736    HE2  HIS  89           HE2      HIS  89 -27.038 -19.198   1.242
  737    H    HIS  90           HN       HIS  90 -21.104 -21.546  -0.704
  738    HA   HIS  90           HA       HIS  90 -22.693 -20.004  -2.542
  739    HB2  HIS  90           HB2      HIS  90 -20.744 -18.488  -2.186
  740    HB3  HIS  90           HB1      HIS  90 -19.681 -19.774  -2.760
  741    HD2  HIS  90           HD2      HIS  90 -19.432 -19.861  -5.523
  742    HE1  HIS  90           HE1      HIS  90 -22.706 -17.371  -6.476
  743    HE2  HIS  90           HE2      HIS  90 -20.736 -18.653  -7.436
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  -4.036  -9.962  16.263
    2    H2   MET   1           HT2      MET   1  -2.701  -8.928  16.455
    3    H3   MET   1           HT3      MET   1  -2.784 -10.384  17.326
    4    HA   MET   1           HA       MET   1  -2.039  -9.911  14.549
    5    HB2  MET   1           HB2      MET   1  -1.291 -11.892  16.722
    6    HB3  MET   1           HB1      MET   1  -0.600 -11.910  15.099
    7    HG2  MET   1           HG2      MET   1   0.946 -10.658  16.391
    8    HG3  MET   1           HG1      MET   1   0.014  -9.440  15.522
    9    HE1  MET   1           HE1      MET   1   1.407  -8.112  17.604
   10    HE2  MET   1           HE2      MET   1   0.158  -7.295  18.541
   11    HE3  MET   1           HE3      MET   1   0.005  -7.406  16.789
   12    H    GLY   2           HN       GLY   2  -3.259 -12.682  16.457
   13    HA2  GLY   2           HA2      GLY   2  -5.501 -13.401  15.137
   14    HA3  GLY   2           HA1      GLY   2  -4.241 -13.983  14.053
   15    H    VAL   3           HN       VAL   3  -2.383 -15.132  15.412
   16    HA   VAL   3           HA       VAL   3  -3.671 -17.026  17.306
   17    HB   VAL   3           HB       VAL   3  -2.090 -18.743  16.368
   18   HG11  VAL   3          HG11      VAL   3  -4.470 -18.633  15.713
   19   HG12  VAL   3          HG12      VAL   3  -3.465 -19.153  14.361
   20   HG13  VAL   3          HG13      VAL   3  -4.063 -17.495  14.431
   21   HG21  VAL   3          HG21      VAL   3  -1.705 -16.581  14.271
   22   HG22  VAL   3          HG22      VAL   3  -1.193 -18.259  14.081
   23   HG23  VAL   3          HG23      VAL   3  -0.459 -17.248  15.327
   24    H    TRP   4           HN       TRP   4  -2.674 -17.317  19.189
   25    HA   TRP   4           HA       TRP   4  -0.211 -15.829  19.719
   26    HB2  TRP   4           HB2      TRP   4  -1.848 -17.449  21.674
   27    HB3  TRP   4           HB1      TRP   4  -0.708 -16.150  22.024
   28    HD1  TRP   4           HD1      TRP   4  -1.583 -13.961  20.025
   29    HE1  TRP   4           HE1      TRP   4  -3.870 -12.794  20.251
   30    HE3  TRP   4           HE3      TRP   4  -4.079 -17.449  22.790
   31    HZ2  TRP   4           HZ2      TRP   4  -6.423 -13.276  21.449
   32    HZ3  TRP   4           HZ3      TRP   4  -6.435 -17.073  23.460
   33    HH2  TRP   4           HH2      TRP   4  -7.609 -14.993  22.793
   34    H    THR   5           HN       THR   5   1.703 -16.721  20.227
   35    HA   THR   5           HA       THR   5   2.222 -19.350  21.013
   36    HB   THR   5           HB       THR   5   3.313 -19.341  18.286
   37    HG1  THR   5           HG1      THR   5   1.614 -18.586  17.353
   38   HG21  THR   5          HG21      THR   5   3.230 -21.348  19.645
   39   HG22  THR   5          HG22      THR   5   2.192 -21.565  18.239
   40   HG23  THR   5          HG23      THR   5   1.479 -21.207  19.810
   41    HA   PRO   6           HA       PRO   6   6.212 -16.984  19.384
   42    HB2  PRO   6           HB2      PRO   6   5.015 -14.234  19.462
   43    HB3  PRO   6           HB1      PRO   6   6.211 -14.911  18.333
   44    HG2  PRO   6           HG2      PRO   6   3.709 -14.573  17.561
   45    HG3  PRO   6           HG1      PRO   6   4.594 -16.038  17.100
   46    HD2  PRO   6           HD2      PRO   6   2.529 -15.681  19.253
   47    HD3  PRO   6           HD1      PRO   6   2.722 -17.029  18.103
   48    H    GLU   7           HN       GLU   7   7.721 -15.790  20.743
   49    HA   GLU   7           HA       GLU   7   7.579 -16.226  23.415
   50    HB2  GLU   7           HB2      GLU   7   8.878 -13.822  22.104
   51    HB3  GLU   7           HB1      GLU   7   9.241 -14.429  23.719
   52    HG2  GLU   7           HG2      GLU   7  10.923 -15.436  22.437
   53    HG3  GLU   7           HG1      GLU   7   9.699 -16.703  22.486
   54    H    VAL   8           HN       VAL   8   5.805 -13.890  21.645
   55    HA   VAL   8           HA       VAL   8   5.270 -11.966  23.629
   56    HB   VAL   8           HB       VAL   8   3.567 -12.939  21.321
   57   HG11  VAL   8          HG11      VAL   8   2.075 -11.866  22.843
   58   HG12  VAL   8          HG12      VAL   8   2.486 -10.640  21.644
   59   HG13  VAL   8          HG13      VAL   8   3.256 -10.614  23.232
   60   HG21  VAL   8          HG21      VAL   8   4.404 -10.894  20.224
   61   HG22  VAL   8          HG22      VAL   8   5.742 -11.943  20.691
   62   HG23  VAL   8          HG23      VAL   8   5.364 -10.516  21.654
   63    H    LEU   9           HN       LEU   9   3.629 -15.008  22.768
   64    HA   LEU   9           HA       LEU   9   1.528 -14.801  24.634
   65    HB2  LEU   9           HB2      LEU   9   1.455 -16.451  22.839
   66    HB3  LEU   9           HB1      LEU   9   2.885 -17.256  23.481
   67    HG   LEU   9           HG       LEU   9   1.679 -17.884  25.512
   68   HD11  LEU   9          HD11      LEU   9   0.176 -16.147  25.985
   69   HD12  LEU   9          HD12      LEU   9  -0.903 -17.423  25.425
   70   HD13  LEU   9          HD13      LEU   9  -0.457 -16.107  24.340
   71   HD21  LEU   9          HD21      LEU   9   1.485 -19.407  23.627
   72   HD22  LEU   9          HD22      LEU   9   0.144 -18.473  22.964
   73   HD23  LEU   9          HD23      LEU   9  -0.058 -19.354  24.478
   74    H    LYS  10           HN       LYS  10   4.733 -16.328  24.859
   75    HA   LYS  10           HA       LYS  10   4.436 -17.294  27.503
   76    HB2  LYS  10           HB2      LYS  10   6.892 -16.544  25.903
   77    HB3  LYS  10           HB1      LYS  10   6.951 -17.320  27.488
   78    HG2  LYS  10           HG2      LYS  10   5.664 -19.219  26.643
   79    HG3  LYS  10           HG1      LYS  10   5.491 -18.428  25.078
   80    HD2  LYS  10           HD2      LYS  10   7.288 -19.872  24.689
   81    HD3  LYS  10           HD1      LYS  10   8.117 -18.372  25.097
   82    HE2  LYS  10           HE2      LYS  10   9.102 -20.285  26.302
   83    HE3  LYS  10           HE1      LYS  10   8.363 -19.154  27.434
   84    HZ1  LYS  10           HZ1      LYS  10   6.390 -20.945  26.633
   85    HZ2  LYS  10           HZ2      LYS  10   7.106 -20.802  28.167
   86    HZ3  LYS  10           HZ3      LYS  10   7.760 -21.869  27.017
   87    H    ALA  11           HN       ALA  11   5.792 -14.308  26.180
   88    HA   ALA  11           HA       ALA  11   6.548 -13.196  28.685
   89    HB1  ALA  11           HB1      ALA  11   6.827 -11.118  27.489
   90    HB2  ALA  11           HB2      ALA  11   5.829 -11.697  26.157
   91    HB3  ALA  11           HB3      ALA  11   7.407 -12.426  26.457
   92    H    ARG  12           HN       ARG  12   3.600 -13.111  26.763
   93    HA   ARG  12           HA       ARG  12   2.251 -11.082  28.157
   94    HB2  ARG  12           HB2      ARG  12   1.498 -12.034  25.986
   95    HB3  ARG  12           HB1      ARG  12   1.065 -13.527  26.815
   96    HG2  ARG  12           HG2      ARG  12  -0.926 -12.135  26.531
   97    HG3  ARG  12           HG1      ARG  12  -0.527 -12.247  28.243
   98    HD2  ARG  12           HD2      ARG  12   0.191 -10.034  28.357
   99    HD3  ARG  12           HD1      ARG  12   0.611  -9.968  26.646
  100    HE   ARG  12           HE       ARG  12  -2.139 -10.302  26.736
  101   HH11  ARG  12          HH21      ARG  12   0.229  -8.080  27.913
  102   HH12  ARG  12          HH22      ARG  12  -0.821  -6.704  27.847
  103   HH21  ARG  12          HH11      ARG  12  -3.531  -8.505  26.641
  104   HH22  ARG  12          HH12      ARG  12  -2.955  -6.946  27.126
  105    H    ALA  13           HN       ALA  13   2.362 -14.592  28.672
  106    HA   ALA  13           HA       ALA  13   0.663 -14.435  31.022
  107    HB1  ALA  13           HB1      ALA  13   1.023 -16.849  31.160
  108    HB2  ALA  13           HB2      ALA  13   2.278 -16.752  29.925
  109    HB3  ALA  13           HB3      ALA  13   0.601 -16.396  29.510
  110    H    SER  14           HN       SER  14   4.073 -14.961  30.276
  111    HA   SER  14           HA       SER  14   4.792 -15.145  33.097
  112    HB2  SER  14           HB2      SER  14   5.891 -16.519  31.264
  113    HB3  SER  14           HB1      SER  14   6.654 -15.027  30.720
  114    HG   SER  14           HG       SER  14   6.784 -15.631  33.437
  115    H    VAL  15           HN       VAL  15   3.820 -12.666  31.400
  116    HA   VAL  15           HA       VAL  15   4.059 -10.392  31.587
  117    HB   VAL  15           HB       VAL  15   6.200 -10.873  33.662
  118   HG11  VAL  15          HG11      VAL  15   4.125  -8.690  33.330
  119   HG12  VAL  15          HG12      VAL  15   5.808  -8.558  32.817
  120   HG13  VAL  15          HG13      VAL  15   5.420  -8.738  34.528
  121   HG21  VAL  15          HG21      VAL  15   4.185 -10.705  35.265
  122   HG22  VAL  15          HG22      VAL  15   4.407 -12.241  34.429
  123   HG23  VAL  15          HG23      VAL  15   3.190 -11.097  33.863
  124    H    ILE  16           HN       ILE  16   7.167 -12.113  31.736
  125    HA   ILE  16           HA       ILE  16   8.147 -10.450  29.511
  126    HB   ILE  16           HB       ILE  16   8.992  -9.508  31.661
  127   HG12  ILE  16          HG12      ILE  16  11.216 -10.864  30.122
  128   HG13  ILE  16          HG11      ILE  16  10.290  -9.519  29.454
  129   HG21  ILE  16          HG21      ILE  16   9.035 -11.841  32.757
  130   HG22  ILE  16          HG22      ILE  16  10.390 -10.767  33.106
  131   HG23  ILE  16          HG23      ILE  16  10.577 -12.068  31.929
  132   HD11  ILE  16          HD11      ILE  16  12.461  -8.898  30.659
  133   HD12  ILE  16          HD12      ILE  16  11.642  -9.359  32.152
  134   HD13  ILE  16          HD13      ILE  16  11.012  -8.035  31.173
  135    H    GLY  17           HN       GLY  17   9.030 -11.651  27.956
  136    HA2  GLY  17           HA2      GLY  17   9.320 -14.517  28.337
  137    HA3  GLY  17           HA1      GLY  17   9.513 -13.633  26.826
  138    H    LYS  18           HN       LYS  18  11.209 -15.650  28.412
  139    HA   LYS  18           HA       LYS  18  13.751 -14.428  27.765
  140    HB2  LYS  18           HB2      LYS  18  14.677 -14.881  30.077
  141    HB3  LYS  18           HB1      LYS  18  13.565 -13.517  29.972
  142    HG2  LYS  18           HG2      LYS  18  11.721 -14.947  30.758
  143    HG3  LYS  18           HG1      LYS  18  12.820 -16.323  30.849
  144    HD2  LYS  18           HD2      LYS  18  14.158 -15.208  32.547
  145    HD3  LYS  18           HD1      LYS  18  13.193 -13.739  32.390
  146    HE2  LYS  18           HE2      LYS  18  11.170 -15.162  33.027
  147    HE3  LYS  18           HE1      LYS  18  12.320 -16.421  33.478
  148    HZ1  LYS  18           HZ1      LYS  18  11.514 -14.663  35.211
  149    HZ2  LYS  18           HZ2      LYS  18  12.731 -13.707  34.508
  150    HZ3  LYS  18           HZ3      LYS  18  13.122 -15.203  35.213
  151    HA   PRO  19           HA       PRO  19  13.238 -19.136  27.627
  152    HB2  PRO  19           HB2      PRO  19  13.249 -19.426  24.899
  153    HB3  PRO  19           HB1      PRO  19  11.765 -19.186  25.847
  154    HG2  PRO  19           HG2      PRO  19  13.363 -17.183  24.311
  155    HG3  PRO  19           HG1      PRO  19  11.607 -17.397  24.389
  156    HD2  PRO  19           HD2      PRO  19  12.881 -15.475  25.828
  157    HD3  PRO  19           HD1      PRO  19  11.426 -16.299  26.435
  158    H    ILE  20           HN       ILE  20  14.885 -20.646  26.977
  159    HA   ILE  20           HA       ILE  20  17.513 -19.481  26.904
  160    HB   ILE  20           HB       ILE  20  18.256 -21.887  26.886
  161   HG12  ILE  20          HG12      ILE  20  15.317 -22.472  27.310
  162   HG13  ILE  20          HG11      ILE  20  16.079 -22.587  25.723
  163   HG21  ILE  20          HG21      ILE  20  16.215 -21.238  29.032
  164   HG22  ILE  20          HG22      ILE  20  17.822 -20.516  28.973
  165   HG23  ILE  20          HG23      ILE  20  17.647 -22.256  29.193
  166   HD11  ILE  20          HD11      ILE  20  17.767 -24.168  26.711
  167   HD12  ILE  20          HD12      ILE  20  16.117 -24.792  26.734
  168   HD13  ILE  20          HD13      ILE  20  16.836 -24.148  28.210
  169    H    GLY  21           HN       GLY  21  18.991 -19.484  25.262
  170    HA2  GLY  21           HA2      GLY  21  17.892 -19.735  22.579
  171    HA3  GLY  21           HA1      GLY  21  19.488 -19.126  23.010
  172    H    GLU  22           HN       GLU  22  17.851 -21.666  21.616
  173    HA   GLU  22           HA       GLU  22  20.120 -23.170  21.026
  174    HB2  GLU  22           HB2      GLU  22  19.120 -23.679  23.689
  175    HB3  GLU  22           HB1      GLU  22  18.862 -25.123  22.719
  176    HG2  GLU  22           HG2      GLU  22  21.516 -23.660  22.911
  177    HG3  GLU  22           HG1      GLU  22  21.088 -25.079  23.869
  178    H    SER  23           HN       SER  23  19.321 -25.619  20.528
  179    HA   SER  23           HA       SER  23  17.508 -25.392  18.393
  180    HB2  SER  23           HB2      SER  23  18.336 -27.875  19.913
  181    HB3  SER  23           HB1      SER  23  17.583 -27.846  18.320
  182    HG   SER  23           HG       SER  23  19.387 -26.955  17.477
  183    H    TYR  24           HN       TYR  24  17.079 -26.443  21.743
  184    HA   TYR  24           HA       TYR  24  14.478 -27.450  21.567
  185    HB2  TYR  24           HB2      TYR  24  15.869 -27.676  23.585
  186    HB3  TYR  24           HB1      TYR  24  15.742 -25.939  23.872
  187    HD1  TYR  24           HD2      TYR  24  13.798 -29.107  23.657
  188    HD2  TYR  24           HD1      TYR  24  13.783 -24.979  24.845
  189    HE1  TYR  24           HE2      TYR  24  11.643 -29.454  24.837
  190    HE2  TYR  24           HE1      TYR  24  11.629 -25.326  26.023
  191    HH   TYR  24           HH       TYR  24  10.460 -28.199  26.901
  192    H    LYS  25           HN       LYS  25  15.636 -24.217  21.302
  193    HA   LYS  25           HA       LYS  25  13.012 -23.016  21.831
  194    HB2  LYS  25           HB2      LYS  25  14.991 -21.866  22.695
  195    HB3  LYS  25           HB1      LYS  25  15.670 -21.770  21.073
  196    HG2  LYS  25           HG2      LYS  25  13.883 -20.327  20.334
  197    HG3  LYS  25           HG1      LYS  25  13.005 -20.557  21.847
  198    HD2  LYS  25           HD2      LYS  25  14.865 -19.470  23.066
  199    HD3  LYS  25           HD1      LYS  25  15.709 -19.220  21.535
  200    HE2  LYS  25           HE2      LYS  25  12.958 -18.135  22.205
  201    HE3  LYS  25           HE1      LYS  25  14.451 -17.196  22.231
  202    HZ1  LYS  25           HZ1      LYS  25  13.038 -18.367  19.925
  203    HZ2  LYS  25           HZ2      LYS  25  14.703 -18.041  19.832
  204    HZ3  LYS  25           HZ3      LYS  25  13.604 -16.783  20.136
  205    H    ARG  26           HN       ARG  26  14.658 -24.399  19.255
  206    HA   ARG  26           HA       ARG  26  13.990 -22.727  17.103
  207    HB2  ARG  26           HB2      ARG  26  14.517 -24.560  15.700
  208    HB3  ARG  26           HB1      ARG  26  15.541 -24.756  17.119
  209    HG2  ARG  26           HG2      ARG  26  14.721 -26.901  17.125
  210    HG3  ARG  26           HG1      ARG  26  13.325 -26.176  17.920
  211    HD2  ARG  26           HD2      ARG  26  12.361 -27.393  16.158
  212    HD3  ARG  26           HD1      ARG  26  12.454 -25.765  15.490
  213    HE   ARG  26           HE       ARG  26  14.130 -26.501  14.025
  214   HH11  ARG  26          HH21      ARG  26  13.370 -28.869  16.435
  215   HH12  ARG  26          HH22      ARG  26  14.253 -30.141  15.659
  216   HH21  ARG  26          HH11      ARG  26  15.303 -28.156  13.014
  217   HH22  ARG  26          HH12      ARG  26  15.348 -29.736  13.720
  218    H    ILE  27           HN       ILE  27  12.097 -24.884  19.039
  219    HA   ILE  27           HA       ILE  27   9.988 -25.365  17.241
  220    HB   ILE  27           HB       ILE  27  10.236 -26.689  19.254
  221   HG12  ILE  27          HG12      ILE  27   7.704 -25.046  19.519
  222   HG13  ILE  27          HG11      ILE  27   7.944 -26.248  18.250
  223   HG21  ILE  27          HG21      ILE  27  11.027 -24.551  20.584
  224   HG22  ILE  27          HG22      ILE  27  10.178 -25.842  21.430
  225   HG23  ILE  27          HG23      ILE  27   9.311 -24.382  20.959
  226   HD11  ILE  27          HD11      ILE  27   8.445 -27.054  21.103
  227   HD12  ILE  27          HD12      ILE  27   7.902 -28.032  19.740
  228   HD13  ILE  27          HD13      ILE  27   6.783 -26.926  20.534
  229    H    LEU  28           HN       LEU  28  10.162 -23.035  19.920
  230    HA   LEU  28           HA       LEU  28   7.783 -21.660  19.285
  231    HB2  LEU  28           HB2      LEU  28  10.223 -21.051  20.930
  232    HB3  LEU  28           HB1      LEU  28   9.035 -19.778  20.657
  233    HG   LEU  28           HG       LEU  28   8.078 -22.486  21.589
  234   HD11  LEU  28          HD11      LEU  28   8.382 -21.786  23.935
  235   HD12  LEU  28          HD12      LEU  28   9.222 -20.330  23.397
  236   HD13  LEU  28          HD13      LEU  28   9.938 -21.918  23.115
  237   HD21  LEU  28          HD21      LEU  28   6.266 -21.218  22.498
  238   HD22  LEU  28          HD22      LEU  28   6.576 -20.507  20.914
  239   HD23  LEU  28          HD23      LEU  28   7.162 -19.703  22.370
  240    H    ALA  29           HN       ALA  29  11.166 -21.076  18.395
  241    HA   ALA  29           HA       ALA  29  10.750 -18.622  17.066
  242    HB1  ALA  29           HB1      ALA  29  12.916 -19.102  15.965
  243    HB2  ALA  29           HB2      ALA  29  12.859 -20.742  16.612
  244    HB3  ALA  29           HB3      ALA  29  12.978 -19.365  17.708
  245    H    LYS  30           HN       LYS  30  10.227 -21.928  16.101
  246    HA   LYS  30           HA       LYS  30  10.208 -21.591  13.304
  247    HB2  LYS  30           HB2      LYS  30  10.226 -23.791  14.459
  248    HB3  LYS  30           HB1      LYS  30   8.556 -23.518  14.944
  249    HG2  LYS  30           HG2      LYS  30   7.776 -23.574  12.707
  250    HG3  LYS  30           HG1      LYS  30   9.405 -23.411  12.052
  251    HD2  LYS  30           HD2      LYS  30   8.464 -25.760  11.942
  252    HD3  LYS  30           HD1      LYS  30  10.004 -25.630  12.786
  253    HE2  LYS  30           HE2      LYS  30   9.000 -25.874  14.904
  254    HE3  LYS  30           HE1      LYS  30   7.398 -25.477  14.288
  255    HZ1  LYS  30           HZ1      LYS  30   7.758 -27.568  12.845
  256    HZ2  LYS  30           HZ2      LYS  30   7.308 -27.756  14.472
  257    HZ3  LYS  30           HZ3      LYS  30   8.926 -27.975  14.005
  258    H    LEU  31           HN       LEU  31   7.751 -21.050  15.764
  259    HA   LEU  31           HA       LEU  31   5.537 -20.698  14.053
  260    HB2  LEU  31           HB2      LEU  31   6.197 -19.802  16.841
  261    HB3  LEU  31           HB1      LEU  31   4.744 -19.186  16.055
  262    HG   LEU  31           HG       LEU  31   4.372 -21.258  17.440
  263   HD11  LEU  31          HD11      LEU  31   3.141 -20.565  15.132
  264   HD12  LEU  31          HD12      LEU  31   2.730 -22.027  16.023
  265   HD13  LEU  31          HD13      LEU  31   3.802 -22.124  14.631
  266   HD21  LEU  31          HD21      LEU  31   5.305 -23.345  16.795
  267   HD22  LEU  31          HD22      LEU  31   6.647 -22.206  16.721
  268   HD23  LEU  31          HD23      LEU  31   5.842 -22.711  15.237
  269    H    GLN  32           HN       GLN  32   8.056 -18.488  15.150
  270    HA   GLN  32           HA       GLN  32   7.092 -16.027  14.478
  271    HB2  GLN  32           HB2      GLN  32   9.375 -16.488  15.354
  272    HB3  GLN  32           HB1      GLN  32   9.845 -17.054  13.750
  273    HG2  GLN  32           HG2      GLN  32   9.334 -14.862  12.794
  274    HG3  GLN  32           HG1      GLN  32   8.776 -14.287  14.365
  275   HE21  GLN  32          HE21      GLN  32  10.951 -13.025  12.979
  276   HE22  GLN  32          HE22      GLN  32  12.367 -13.284  13.878
  277    H    ARG  33           HN       ARG  33   8.513 -18.400  12.226
  278    HA   ARG  33           HA       ARG  33   8.130 -16.809   9.896
  279    HB2  ARG  33           HB2      ARG  33   9.726 -18.690   9.971
  280    HB3  ARG  33           HB1      ARG  33   8.377 -19.817  10.130
  281    HG2  ARG  33           HG2      ARG  33   7.500 -19.160   7.960
  282    HG3  ARG  33           HG1      ARG  33   8.721 -17.895   7.813
  283    HD2  ARG  33           HD2      ARG  33   9.389 -20.825   8.108
  284    HD3  ARG  33           HD1      ARG  33   9.245 -20.021   6.546
  285    HE   ARG  33           HE       ARG  33  11.404 -19.724   8.475
  286   HH11  ARG  33          HH21      ARG  33   9.716 -18.451   5.737
  287   HH12  ARG  33          HH22      ARG  33  11.046 -17.487   5.188
  288   HH21  ARG  33          HH11      ARG  33  13.156 -18.464   7.763
  289   HH22  ARG  33          HH12      ARG  33  12.994 -17.495   6.336
  290    H    ILE  34           HN       ILE  34   6.203 -19.317  11.484
  291    HA   ILE  34           HA       ILE  34   4.204 -19.623   9.545
  292    HB   ILE  34           HB       ILE  34   3.873 -19.755  12.548
  293   HG12  ILE  34          HG12      ILE  34   5.748 -21.154  11.802
  294   HG13  ILE  34          HG11      ILE  34   4.390 -22.166  12.278
  295   HG21  ILE  34          HG21      ILE  34   1.736 -19.756  11.405
  296   HG22  ILE  34          HG22      ILE  34   2.077 -21.397  11.954
  297   HG23  ILE  34          HG23      ILE  34   2.303 -20.969  10.258
  298   HD11  ILE  34          HD11      ILE  34   5.472 -21.594   9.536
  299   HD12  ILE  34          HD12      ILE  34   3.780 -22.050   9.714
  300   HD13  ILE  34          HD13      ILE  34   5.048 -23.142  10.263
  301    H    HIS  35           HN       HIS  35   4.635 -17.199  12.071
  302    HA   HIS  35           HA       HIS  35   2.094 -16.011  11.972
  303    HB2  HIS  35           HB2      HIS  35   3.795 -15.493  13.688
  304    HB3  HIS  35           HB1      HIS  35   4.772 -14.683  12.463
  305    HD2  HIS  35           HD2      HIS  35   1.159 -14.185  14.060
  306    HE1  HIS  35           HE1      HIS  35   2.559 -10.479  12.603
  307    HE2  HIS  35           HE2      HIS  35   0.672 -11.628  13.855
  308    H    ASN  36           HN       ASN  36   5.067 -15.201  10.158
  309    HA   ASN  36           HA       ASN  36   3.880 -13.141   8.601
  310    HB2  ASN  36           HB2      ASN  36   6.348 -14.837   8.204
  311    HB3  ASN  36           HB1      ASN  36   5.885 -13.542   7.099
  312   HD21  ASN  36          HD21      ASN  36   8.307 -13.454   8.682
  313   HD22  ASN  36          HD22      ASN  36   8.153 -12.173   9.784
  314    H    SER  37           HN       SER  37   4.393 -16.594   8.039
  315    HA   SER  37           HA       SER  37   2.986 -16.459   5.459
  316    HB2  SER  37           HB2      SER  37   4.426 -18.775   6.775
  317    HB3  SER  37           HB1      SER  37   3.765 -18.751   5.144
  318    HG   SER  37           HG       SER  37   5.808 -17.076   6.190
  319    H    ASN  38           HN       ASN  38   1.787 -16.283   8.284
  320    HA   ASN  38           HA       ASN  38   0.399 -18.498   9.074
  321    HB2  ASN  38           HB2      ASN  38   0.303 -16.160  10.068
  322    HB3  ASN  38           HB1      ASN  38  -0.908 -15.787   8.844
  323   HD21  ASN  38          HD21      ASN  38  -2.706 -15.612  10.305
  324   HD22  ASN  38          HD22      ASN  38  -3.300 -16.940  11.180
  325    H    ILE  39           HN       ILE  39  -0.857 -19.883   8.065
  326    HA   ILE  39           HA       ILE  39  -2.301 -20.821   6.556
  327    HB   ILE  39           HB       ILE  39  -3.522 -18.085   6.250
  328   HG12  ILE  39          HG12      ILE  39  -3.906 -20.047   8.502
  329   HG13  ILE  39          HG11      ILE  39  -3.123 -18.478   8.646
  330   HG21  ILE  39          HG21      ILE  39  -4.325 -20.046   4.878
  331   HG22  ILE  39          HG22      ILE  39  -5.560 -19.342   5.921
  332   HG23  ILE  39          HG23      ILE  39  -4.759 -20.843   6.391
  333   HD11  ILE  39          HD11      ILE  39  -6.016 -19.016   7.932
  334   HD12  ILE  39          HD12      ILE  39  -5.257 -17.429   7.814
  335   HD13  ILE  39          HD13      ILE  39  -5.407 -18.221   9.383
  336    H    LEU  40           HN       LEU  40  -0.115 -20.671   5.278
  337    HA   LEU  40           HA       LEU  40  -0.588 -19.173   2.755
  338    HB2  LEU  40           HB2      LEU  40   1.452 -18.482   4.021
  339    HB3  LEU  40           HB1      LEU  40   2.057 -20.130   3.872
  340    HG   LEU  40           HG       LEU  40   1.935 -19.920   1.390
  341   HD11  LEU  40          HD11      LEU  40   1.827 -17.337   0.700
  342   HD12  LEU  40          HD12      LEU  40   0.812 -17.239   2.140
  343   HD13  LEU  40          HD13      LEU  40   0.367 -18.317   0.817
  344   HD21  LEU  40          HD21      LEU  40   3.923 -18.561   1.182
  345   HD22  LEU  40          HD22      LEU  40   3.998 -19.374   2.745
  346   HD23  LEU  40          HD23      LEU  40   3.533 -17.676   2.657
  347    H    ASP  41           HN       ASP  41  -0.279 -20.240   0.811
  348    HA   ASP  41           HA       ASP  41  -1.035 -22.920   0.678
  349    HB2  ASP  41           HB2      ASP  41   0.364 -21.138  -1.314
  350    HB3  ASP  41           HB1      ASP  41  -0.160 -22.775  -1.704
  351    H    GLU  42           HN       GLU  42   2.203 -21.479   0.487
  352    HA   GLU  42           HA       GLU  42   3.524 -23.980   0.077
  353    HB2  GLU  42           HB2      GLU  42   4.489 -21.803  -0.587
  354    HB3  GLU  42           HB1      GLU  42   4.630 -21.363   1.115
  355    HG2  GLU  42           HG2      GLU  42   6.123 -23.278   1.507
  356    HG3  GLU  42           HG1      GLU  42   5.954 -23.767  -0.178
  357    H    ARG  43           HN       ARG  43   3.065 -21.885   2.920
  358    HA   ARG  43           HA       ARG  43   4.434 -23.679   4.702
  359    HB2  ARG  43           HB2      ARG  43   3.954 -21.060   4.848
  360    HB3  ARG  43           HB1      ARG  43   2.512 -21.597   5.706
  361    HG2  ARG  43           HG2      ARG  43   4.030 -21.399   7.470
  362    HG3  ARG  43           HG1      ARG  43   4.238 -23.098   7.048
  363    HD2  ARG  43           HD2      ARG  43   6.092 -22.257   5.435
  364    HD3  ARG  43           HD1      ARG  43   6.015 -20.759   6.357
  365    HE   ARG  43           HE       ARG  43   6.314 -22.575   8.315
  366   HH11  ARG  43          HH21      ARG  43   7.883 -22.136   5.267
  367   HH12  ARG  43          HH22      ARG  43   9.402 -22.774   5.800
  368   HH21  ARG  43          HH11      ARG  43   8.301 -23.397   9.031
  369   HH22  ARG  43          HH12      ARG  43   9.639 -23.489   7.934
  370    H    GLN  44           HN       GLN  44   1.256 -23.510   3.439
  371    HA   GLN  44           HA       GLN  44  -0.321 -24.543   5.470
  372    HB2  GLN  44           HB2      GLN  44  -0.421 -24.454   2.530
  373    HB3  GLN  44           HB1      GLN  44  -1.246 -25.865   3.179
  374    HG2  GLN  44           HG2      GLN  44  -1.756 -23.045   4.173
  375    HG3  GLN  44           HG1      GLN  44  -2.711 -23.824   2.912
  376   HE21  GLN  44          HE21      GLN  44  -2.912 -23.151   6.092
  377   HE22  GLN  44          HE22      GLN  44  -3.754 -24.518   6.645
  378    H    GLY  45           HN       GLY  45   2.031 -26.190   3.418
  379    HA2  GLY  45           HA2      GLY  45   1.325 -28.847   4.106
  380    HA3  GLY  45           HA1      GLY  45   2.893 -28.323   3.491
  381    H    LEU  46           HN       LEU  46   3.770 -26.605   5.392
  382    HA   LEU  46           HA       LEU  46   4.665 -28.356   7.417
  383    HB2  LEU  46           HB2      LEU  46   6.080 -26.521   6.725
  384    HB3  LEU  46           HB1      LEU  46   4.854 -25.344   7.191
  385    HG   LEU  46           HG       LEU  46   5.083 -25.990   9.551
  386   HD11  LEU  46          HD11      LEU  46   6.857 -28.139   8.395
  387   HD12  LEU  46          HD12      LEU  46   5.560 -28.289   9.581
  388   HD13  LEU  46          HD13      LEU  46   7.105 -27.579  10.051
  389   HD21  LEU  46          HD21      LEU  46   7.553 -25.418   9.840
  390   HD22  LEU  46          HD22      LEU  46   6.593 -24.272   8.910
  391   HD23  LEU  46          HD23      LEU  46   7.656 -25.410   8.081
  392    H    MET  47           HN       MET  47   2.203 -25.840   7.316
  393    HA   MET  47           HA       MET  47   1.606 -25.588  10.008
  394    HB2  MET  47           HB2      MET  47   0.603 -24.216   8.209
  395    HB3  MET  47           HB1      MET  47  -0.358 -25.606   7.704
  396    HG2  MET  47           HG2      MET  47  -1.476 -25.669   9.874
  397    HG3  MET  47           HG1      MET  47  -0.458 -24.356  10.467
  398    HE1  MET  47           HE1      MET  47  -1.816 -21.205   9.191
  399    HE2  MET  47           HE2      MET  47  -0.304 -22.073   9.447
  400    HE3  MET  47           HE3      MET  47  -1.542 -22.085  10.701
  401    H    HIS  48           HN       HIS  48   0.432 -28.019   7.694
  402    HA   HIS  48           HA       HIS  48  -1.286 -29.335   9.542
  403    HB2  HIS  48           HB2      HIS  48  -1.535 -29.598   7.116
  404    HB3  HIS  48           HB1      HIS  48   0.037 -30.393   7.034
  405    HD2  HIS  48           HD2      HIS  48  -0.125 -33.126   7.373
  406    HE1  HIS  48           HE1      HIS  48  -3.914 -33.282   9.222
  407    HE2  HIS  48           HE2      HIS  48  -2.001 -34.678   8.314
  408    H    GLU  49           HN       GLU  49   2.042 -29.933   8.462
  409    HA   GLU  49           HA       GLU  49   2.431 -32.239  10.113
  410    HB2  GLU  49           HB2      GLU  49   4.382 -30.422   8.688
  411    HB3  GLU  49           HB1      GLU  49   4.849 -31.890   9.549
  412    HG2  GLU  49           HG2      GLU  49   3.400 -33.233   8.108
  413    HG3  GLU  49           HG1      GLU  49   2.847 -31.780   7.278
  414    H    LEU  50           HN       LEU  50   2.567 -28.841  10.637
  415    HA   LEU  50           HA       LEU  50   4.432 -28.681  12.719
  416    HB2  LEU  50           HB2      LEU  50   3.492 -26.690  11.625
  417    HB3  LEU  50           HB1      LEU  50   1.911 -27.058  12.303
  418    HG   LEU  50           HG       LEU  50   2.773 -26.763  14.570
  419   HD11  LEU  50          HD11      LEU  50   5.146 -25.671  14.682
  420   HD12  LEU  50          HD12      LEU  50   5.401 -26.487  13.137
  421   HD13  LEU  50          HD13      LEU  50   5.011 -27.424  14.582
  422   HD21  LEU  50          HD21      LEU  50   2.029 -24.797  13.051
  423   HD22  LEU  50          HD22      LEU  50   3.744 -24.395  12.974
  424   HD23  LEU  50          HD23      LEU  50   2.910 -24.404  14.527
  425    H    MET  51           HN       MET  51   1.002 -29.503  12.717
  426    HA   MET  51           HA       MET  51   0.572 -29.527  15.489
  427    HB2  MET  51           HB2      MET  51  -1.232 -29.688  13.799
  428    HB3  MET  51           HB1      MET  51  -0.681 -31.313  13.388
  429    HG2  MET  51           HG2      MET  51  -1.122 -32.064  15.685
  430    HG3  MET  51           HG1      MET  51  -1.618 -30.432  16.128
  431    HE1  MET  51           HE1      MET  51  -4.892 -32.258  16.334
  432    HE2  MET  51           HE2      MET  51  -3.333 -31.975  17.101
  433    HE3  MET  51           HE3      MET  51  -3.581 -33.431  16.141
  434    H    GLU  52           HN       GLU  52   1.795 -32.030  13.299
  435    HA   GLU  52           HA       GLU  52   1.951 -34.089  15.260
  436    HB2  GLU  52           HB2      GLU  52   3.405 -33.709  12.634
  437    HB3  GLU  52           HB1      GLU  52   3.469 -35.182  13.602
  438    HG2  GLU  52           HG2      GLU  52   0.910 -33.943  12.557
  439    HG3  GLU  52           HG1      GLU  52   1.760 -35.271  11.769
  440    H    LEU  53           HN       LEU  53   4.258 -31.692  14.048
  441    HA   LEU  53           HA       LEU  53   6.523 -32.648  15.437
  442    HB2  LEU  53           HB2      LEU  53   5.811 -29.870  14.473
  443    HB3  LEU  53           HB1      LEU  53   7.397 -30.318  15.103
  444    HG   LEU  53           HG       LEU  53   6.048 -31.670  12.743
  445   HD11  LEU  53          HD11      LEU  53   7.676 -30.432  11.358
  446   HD12  LEU  53          HD12      LEU  53   8.257 -29.593  12.794
  447   HD13  LEU  53          HD13      LEU  53   6.611 -29.329  12.226
  448   HD21  LEU  53          HD21      LEU  53   7.588 -33.246  13.487
  449   HD22  LEU  53          HD22      LEU  53   8.667 -32.036  14.179
  450   HD23  LEU  53          HD23      LEU  53   8.625 -32.290  12.433
  451    H    ILE  54           HN       ILE  54   4.001 -30.324  16.324
  452    HA   ILE  54           HA       ILE  54   5.179 -29.522  18.758
  453    HB   ILE  54           HB       ILE  54   2.312 -29.517  17.831
  454   HG12  ILE  54          HG12      ILE  54   4.111 -28.057  16.684
  455   HG13  ILE  54          HG11      ILE  54   2.656 -27.267  17.255
  456   HG21  ILE  54          HG21      ILE  54   2.091 -27.780  19.720
  457   HG22  ILE  54          HG22      ILE  54   3.578 -28.480  20.360
  458   HG23  ILE  54          HG23      ILE  54   2.139 -29.481  20.175
  459   HD11  ILE  54          HD11      ILE  54   3.759 -26.353  19.161
  460   HD12  ILE  54          HD12      ILE  54   4.833 -26.062  17.795
  461   HD13  ILE  54          HD13      ILE  54   5.175 -27.360  18.926
  462    H    ASP  55           HN       ASP  55   3.380 -32.325  17.825
  463    HA   ASP  55           HA       ASP  55   2.528 -33.142  20.408
  464    HB2  ASP  55           HB2      ASP  55   1.634 -33.971  18.188
  465    HB3  ASP  55           HB1      ASP  55   3.094 -34.951  18.069
  466    H    LEU  56           HN       LEU  56   5.455 -33.573  18.550
  467    HA   LEU  56           HA       LEU  56   6.609 -35.632  20.075
  468    HB2  LEU  56           HB2      LEU  56   7.881 -33.428  18.445
  469    HB3  LEU  56           HB1      LEU  56   8.765 -34.801  19.110
  470    HG   LEU  56           HG       LEU  56   6.378 -35.051  17.257
  471   HD11  LEU  56          HD11      LEU  56   7.977 -35.519  15.488
  472   HD12  LEU  56          HD12      LEU  56   9.323 -35.365  16.616
  473   HD13  LEU  56          HD13      LEU  56   8.356 -33.950  16.199
  474   HD21  LEU  56          HD21      LEU  56   8.241 -37.003  18.601
  475   HD22  LEU  56          HD22      LEU  56   7.622 -37.395  16.995
  476   HD23  LEU  56          HD23      LEU  56   6.503 -37.120  18.324
  477    H    TYR  57           HN       TYR  57   6.718 -32.109  20.424
  478    HA   TYR  57           HA       TYR  57   8.477 -32.284  22.739
  479    HB2  TYR  57           HB2      TYR  57   7.118 -29.953  21.374
  480    HB3  TYR  57           HB1      TYR  57   8.187 -29.797  22.770
  481    HD1  TYR  57           HD2      TYR  57  10.575 -30.447  22.606
  482    HD2  TYR  57           HD1      TYR  57   7.980 -30.453  19.185
  483    HE1  TYR  57           HE2      TYR  57  12.550 -30.533  21.109
  484    HE2  TYR  57           HE1      TYR  57   9.954 -30.542  17.687
  485    HH   TYR  57           HH       TYR  57  12.646 -31.506  18.249
  486    H    GLU  58           HN       GLU  58   5.104 -31.329  22.072
  487    HA   GLU  58           HA       GLU  58   4.251 -30.452  24.494
  488    HB2  GLU  58           HB2      GLU  58   2.931 -32.026  22.340
  489    HB3  GLU  58           HB1      GLU  58   2.072 -31.947  23.873
  490    HG2  GLU  58           HG2      GLU  58   3.101 -29.516  22.381
  491    HG3  GLU  58           HG1      GLU  58   1.447 -30.120  22.268
  492    H    GLU  59           HN       GLU  59   5.450 -33.595  23.842
  493    HA   GLU  59           HA       GLU  59   4.170 -34.862  26.088
  494    HB2  GLU  59           HB2      GLU  59   5.535 -36.764  25.545
  495    HB3  GLU  59           HB1      GLU  59   4.977 -36.050  24.033
  496    HG2  GLU  59           HG2      GLU  59   7.235 -36.335  23.555
  497    HG3  GLU  59           HG1      GLU  59   7.234 -34.692  24.183
  498    H    SER  60           HN       SER  60   7.458 -33.630  25.448
  499    HA   SER  60           HA       SER  60   8.191 -33.942  28.268
  500    HB2  SER  60           HB2      SER  60   9.968 -34.715  27.000
  501    HB3  SER  60           HB1      SER  60   9.663 -33.578  25.690
  502    HG   SER  60           HG       SER  60  10.556 -31.957  26.914
  503    H    GLN  61           HN       GLN  61   7.144 -31.493  26.095
  504    HA   GLN  61           HA       GLN  61   8.472 -29.250  27.171
  505    HB2  GLN  61           HB2      GLN  61   6.655 -29.724  25.088
  506    HB3  GLN  61           HB1      GLN  61   5.791 -28.625  26.149
  507    HG2  GLN  61           HG2      GLN  61   7.903 -27.182  26.136
  508    HG3  GLN  61           HG1      GLN  61   8.473 -28.201  24.815
  509   HE21  GLN  61          HE21      GLN  61   7.505 -25.267  24.898
  510   HE22  GLN  61          HE22      GLN  61   6.337 -25.200  23.669
  511    HA   PRO  62           HA       PRO  62   4.976 -28.803  30.245
  512    HB2  PRO  62           HB2      PRO  62   2.777 -30.422  30.089
  513    HB3  PRO  62           HB1      PRO  62   3.014 -29.028  29.016
  514    HG2  PRO  62           HG2      PRO  62   3.112 -31.878  28.354
  515    HG3  PRO  62           HG1      PRO  62   3.067 -30.476  27.272
  516    HD2  PRO  62           HD2      PRO  62   5.422 -32.051  28.136
  517    HD3  PRO  62           HD1      PRO  62   5.263 -30.889  26.794
  518    H    SER  63           HN       SER  63   6.511 -29.607  31.687
  519    HA   SER  63           HA       SER  63   6.439 -32.357  32.626
  520    HB2  SER  63           HB2      SER  63   8.033 -29.943  33.526
  521    HB3  SER  63           HB1      SER  63   8.237 -31.572  34.161
  522    HG   SER  63           HG       SER  63   9.034 -32.224  32.248
  523    H    SER  64           HN       SER  64   4.851 -29.426  33.256
  524    HA   SER  64           HA       SER  64   4.033 -30.313  35.972
  525    HB2  SER  64           HB2      SER  64   5.086 -28.212  36.229
  526    HB3  SER  64           HB1      SER  64   4.330 -27.553  34.783
  527    HG   SER  64           HG       SER  64   3.072 -26.791  36.367
  528    H    GLU  65           HN       GLU  65   2.923 -31.148  33.352
  529    HA   GLU  65           HA       GLU  65   0.871 -31.558  32.408
  530    HB2  GLU  65           HB2      GLU  65  -0.062 -30.601  35.117
  531    HB3  GLU  65           HB1      GLU  65  -1.121 -31.298  33.896
  532    HG2  GLU  65           HG2      GLU  65   0.170 -33.372  33.906
  533    HG3  GLU  65           HG1      GLU  65   1.315 -32.679  35.053
  534    H    ARG  66           HN       ARG  66   2.155 -28.993  32.043
  535    HA   ARG  66           HA       ARG  66   0.096 -26.974  32.027
  536    HB2  ARG  66           HB2      ARG  66   2.852 -27.030  30.793
  537    HB3  ARG  66           HB1      ARG  66   1.813 -25.608  30.885
  538    HG2  ARG  66           HG2      ARG  66   2.545 -27.154  33.367
  539    HG3  ARG  66           HG1      ARG  66   3.630 -25.927  32.719
  540    HD2  ARG  66           HD2      ARG  66   1.740 -24.284  32.817
  541    HD3  ARG  66           HD1      ARG  66   0.758 -25.512  33.605
  542    HE   ARG  66           HE       ARG  66   3.163 -25.257  35.038
  543   HH11  ARG  66          HH21      ARG  66   0.310 -23.492  34.226
  544   HH12  ARG  66          HH22      ARG  66   0.289 -22.571  35.693
  545   HH21  ARG  66          HH11      ARG  66   3.150 -24.060  36.973
  546   HH22  ARG  66          HH12      ARG  66   1.899 -22.894  37.252
  547    H    LEU  67           HN       LEU  67   0.959 -29.537  29.987
  548    HA   LEU  67           HA       LEU  67   0.665 -28.730  27.416
  549    HB2  LEU  67           HB2      LEU  67  -0.561 -30.874  26.990
  550    HB3  LEU  67           HB1      LEU  67   0.938 -31.055  27.893
  551    HG   LEU  67           HG       LEU  67  -1.110 -30.606  29.851
  552   HD11  LEU  67          HD11      LEU  67  -2.693 -31.264  28.005
  553   HD12  LEU  67          HD12      LEU  67  -2.732 -32.331  29.410
  554   HD13  LEU  67          HD13      LEU  67  -1.884 -32.831  27.947
  555   HD21  LEU  67          HD21      LEU  67   0.953 -31.981  30.108
  556   HD22  LEU  67          HD22      LEU  67   0.254 -33.196  29.036
  557   HD23  LEU  67          HD23      LEU  67  -0.500 -32.859  30.594
  558    H    ASN  68           HN       ASN  68  -1.698 -28.485  29.914
  559    HA   ASN  68           HA       ASN  68  -4.071 -28.396  28.404
  560    HB2  ASN  68           HB2      ASN  68  -4.117 -28.537  30.833
  561    HB3  ASN  68           HB1      ASN  68  -3.332 -26.964  30.969
  562   HD21  ASN  68          HD21      ASN  68  -6.391 -28.580  30.310
  563   HD22  ASN  68          HD22      ASN  68  -7.330 -27.167  30.242
  564    H    ALA  69           HN       ALA  69  -1.719 -25.884  29.252
  565    HA   ALA  69           HA       ALA  69  -3.169 -23.751  28.020
  566    HB1  ALA  69           HB1      ALA  69  -0.245 -24.010  28.771
  567    HB2  ALA  69           HB2      ALA  69  -1.519 -23.262  29.735
  568    HB3  ALA  69           HB3      ALA  69  -1.009 -22.519  28.219
  569    H    PHE  70           HN       PHE  70  -0.585 -25.935  26.993
  570    HA   PHE  70           HA       PHE  70  -0.090 -24.711  24.478
  571    HB2  PHE  70           HB2      PHE  70   0.415 -27.508  25.478
  572    HB3  PHE  70           HB1      PHE  70   0.954 -26.914  23.910
  573    HD1  PHE  70           HD2      PHE  70   1.317 -26.509  27.579
  574    HD2  PHE  70           HD1      PHE  70   2.774 -25.353  23.707
  575    HE1  PHE  70           HE2      PHE  70   3.302 -25.469  28.638
  576    HE2  PHE  70           HE1      PHE  70   4.756 -24.308  24.766
  577    HZ   PHE  70           HZ       PHE  70   5.022 -24.366  27.231
  578    H    ARG  71           HN       ARG  71  -2.330 -27.196  25.563
  579    HA   ARG  71           HA       ARG  71  -3.171 -28.324  23.204
  580    HB2  ARG  71           HB2      ARG  71  -4.605 -27.596  25.741
  581    HB3  ARG  71           HB1      ARG  71  -5.528 -28.262  24.397
  582    HG2  ARG  71           HG2      ARG  71  -3.006 -29.659  25.280
  583    HG3  ARG  71           HG1      ARG  71  -4.483 -29.877  26.218
  584    HD2  ARG  71           HD2      ARG  71  -5.663 -30.584  24.151
  585    HD3  ARG  71           HD1      ARG  71  -4.154 -30.431  23.254
  586    HE   ARG  71           HE       ARG  71  -3.870 -32.143  25.536
  587   HH11  ARG  71          HH21      ARG  71  -5.055 -31.899  22.304
  588   HH12  ARG  71          HH22      ARG  71  -4.870 -33.585  21.956
  589   HH21  ARG  71          HH11      ARG  71  -3.615 -34.358  25.098
  590   HH22  ARG  71          HH12      ARG  71  -4.052 -34.982  23.543
  591    H    GLU  72           HN       GLU  72  -3.482 -25.057  24.229
  592    HA   GLU  72           HA       GLU  72  -5.698 -24.293  22.617
  593    HB2  GLU  72           HB2      GLU  72  -3.363 -22.714  23.717
  594    HB3  GLU  72           HB1      GLU  72  -4.727 -21.983  22.866
  595    HG2  GLU  72           HG2      GLU  72  -6.282 -22.892  24.525
  596    HG3  GLU  72           HG1      GLU  72  -4.952 -23.695  25.357
  597    H    LEU  73           HN       LEU  73  -2.202 -24.441  22.088
  598    HA   LEU  73           HA       LEU  73  -2.167 -23.240  19.529
  599    HB2  LEU  73           HB2      LEU  73  -0.111 -23.522  20.784
  600    HB3  LEU  73           HB1      LEU  73  -0.314 -25.272  20.794
  601    HG   LEU  73           HG       LEU  73  -0.055 -25.362  18.364
  602   HD11  LEU  73          HD11      LEU  73   0.729 -23.100  17.280
  603   HD12  LEU  73          HD12      LEU  73  -0.149 -22.362  18.623
  604   HD13  LEU  73          HD13      LEU  73  -0.991 -23.409  17.486
  605   HD21  LEU  73          HD21      LEU  73   2.258 -24.869  18.249
  606   HD22  LEU  73          HD22      LEU  73   1.944 -25.235  19.948
  607   HD23  LEU  73          HD23      LEU  73   2.122 -23.567  19.425
  608    H    ARG  74           HN       ARG  74  -2.468 -26.605  20.574
  609    HA   ARG  74           HA       ARG  74  -2.419 -27.875  18.101
  610    HB2  ARG  74           HB2      ARG  74  -3.930 -28.501  20.641
  611    HB3  ARG  74           HB1      ARG  74  -3.923 -29.583  19.251
  612    HG2  ARG  74           HG2      ARG  74  -1.395 -28.587  20.598
  613    HG3  ARG  74           HG1      ARG  74  -2.183 -30.101  21.033
  614    HD2  ARG  74           HD2      ARG  74  -2.029 -30.533  18.401
  615    HD3  ARG  74           HD1      ARG  74  -0.694 -29.389  18.530
  616    HE   ARG  74           HE       ARG  74   0.518 -31.026  19.651
  617   HH11  ARG  74          HH21      ARG  74  -2.851 -31.778  19.559
  618   HH12  ARG  74          HH22      ARG  74  -2.662 -33.377  20.199
  619   HH21  ARG  74          HH11      ARG  74   0.779 -33.135  20.496
  620   HH22  ARG  74          HH12      ARG  74  -0.606 -34.147  20.727
  621    H    THR  75           HN       THR  75  -5.075 -26.315  19.820
  622    HA   THR  75           HA       THR  75  -7.124 -27.006  18.030
  623    HB   THR  75           HB       THR  75  -6.847 -24.618  19.795
  624    HG1  THR  75           HG1      THR  75  -7.234 -26.018  21.283
  625   HG21  THR  75          HG21      THR  75  -9.398 -24.714  19.623
  626   HG22  THR  75          HG22      THR  75  -9.140 -25.751  18.221
  627   HG23  THR  75          HG23      THR  75  -8.526 -24.098  18.221
  628    H    GLN  76           HN       GLN  76  -4.970 -24.193  18.169
  629    HA   GLN  76           HA       GLN  76  -6.077 -22.709  16.075
  630    HB2  GLN  76           HB2      GLN  76  -3.215 -22.946  17.016
  631    HB3  GLN  76           HB1      GLN  76  -3.765 -21.740  15.853
  632    HG2  GLN  76           HG2      GLN  76  -5.331 -20.828  17.494
  633    HG3  GLN  76           HG1      GLN  76  -4.880 -22.079  18.652
  634   HE21  GLN  76          HE21      GLN  76  -4.424 -19.758  19.787
  635   HE22  GLN  76          HE22      GLN  76  -2.812 -19.238  19.663
  636    H    LEU  77           HN       LEU  77  -3.434 -25.101  15.993
  637    HA   LEU  77           HA       LEU  77  -3.070 -25.024  13.182
  638    HB2  LEU  77           HB2      LEU  77  -2.509 -27.359  15.026
  639    HB3  LEU  77           HB1      LEU  77  -1.768 -27.044  13.460
  640    HG   LEU  77           HG       LEU  77  -1.467 -25.375  15.971
  641   HD11  LEU  77          HD11      LEU  77  -0.132 -27.377  16.039
  642   HD12  LEU  77          HD12      LEU  77   0.922 -26.004  15.713
  643   HD13  LEU  77          HD13      LEU  77   0.458 -27.089  14.402
  644   HD21  LEU  77          HD21      LEU  77   0.271 -24.183  14.451
  645   HD22  LEU  77          HD22      LEU  77  -1.429 -23.775  14.234
  646   HD23  LEU  77          HD23      LEU  77  -0.641 -24.883  13.111
  647    H    GLU  78           HN       GLU  78  -5.094 -26.988  15.304
  648    HA   GLU  78           HA       GLU  78  -6.037 -28.799  13.355
  649    HB2  GLU  78           HB2      GLU  78  -6.307 -29.084  15.817
  650    HB3  GLU  78           HB1      GLU  78  -7.495 -27.780  15.804
  651    HG2  GLU  78           HG2      GLU  78  -8.898 -29.057  14.235
  652    HG3  GLU  78           HG1      GLU  78  -7.706 -30.356  14.223
  653    H    LYS  79           HN       LYS  79  -7.341 -25.696  14.523
  654    HA   LYS  79           HA       LYS  79  -9.620 -25.693  12.830
  655    HB2  LYS  79           HB2      LYS  79  -8.158 -23.499  14.301
  656    HB3  LYS  79           HB1      LYS  79  -9.586 -23.188  13.314
  657    HG2  LYS  79           HG2      LYS  79 -10.857 -24.840  14.659
  658    HG3  LYS  79           HG1      LYS  79  -9.432 -25.094  15.668
  659    HD2  LYS  79           HD2      LYS  79  -9.461 -22.763  16.376
  660    HD3  LYS  79           HD1      LYS  79 -10.801 -22.417  15.281
  661    HE2  LYS  79           HE2      LYS  79 -10.965 -24.468  17.503
  662    HE3  LYS  79           HE1      LYS  79 -11.477 -22.791  17.695
  663    HZ1  LYS  79           HZ1      LYS  79 -13.362 -23.225  16.644
  664    HZ2  LYS  79           HZ2      LYS  79 -12.952 -24.873  16.646
  665    HZ3  LYS  79           HZ3      LYS  79 -12.547 -23.896  15.317
  666    H    ALA  80           HN       ALA  80  -6.354 -24.380  12.531
  667    HA   ALA  80           HA       ALA  80  -6.759 -22.965  10.143
  668    HB1  ALA  80           HB1      ALA  80  -4.721 -22.928  11.730
  669    HB2  ALA  80           HB2      ALA  80  -4.421 -22.781   9.998
  670    HB3  ALA  80           HB3      ALA  80  -4.157 -24.325  10.811
  671    H    LEU  81           HN       LEU  81  -6.020 -26.343  10.794
  672    HA   LEU  81           HA       LEU  81  -5.384 -27.122   8.163
  673    HB2  LEU  81           HB2      LEU  81  -4.923 -28.587  10.057
  674    HB3  LEU  81           HB1      LEU  81  -6.643 -28.703  10.422
  675    HG   LEU  81           HG       LEU  81  -7.061 -29.839   8.294
  676   HD11  LEU  81          HD11      LEU  81  -5.549 -28.956   6.734
  677   HD12  LEU  81          HD12      LEU  81  -4.886 -30.564   7.018
  678   HD13  LEU  81          HD13      LEU  81  -4.163 -29.162   7.806
  679   HD21  LEU  81          HD21      LEU  81  -5.718 -31.901   8.705
  680   HD22  LEU  81          HD22      LEU  81  -6.442 -31.252  10.175
  681   HD23  LEU  81          HD23      LEU  81  -4.728 -30.993   9.849
  682    H    GLY  82           HN       GLY  82  -8.462 -26.977   9.913
  683    HA2  GLY  82           HA2      GLY  82 -10.005 -28.003   7.717
  684    HA3  GLY  82           HA1      GLY  82 -10.641 -27.260   9.183
  685    H    LEU  83           HN       LEU  83  -8.274 -25.355   7.752
  686    HA   LEU  83           HA       LEU  83  -8.323 -23.332   6.669
  687    HB2  LEU  83           HB2      LEU  83 -10.726 -24.508   5.252
  688    HB3  LEU  83           HB1      LEU  83  -9.712 -23.181   4.688
  689    HG   LEU  83           HG       LEU  83  -8.757 -26.018   5.178
  690   HD11  LEU  83          HD11      LEU  83  -9.258 -24.518   2.588
  691   HD12  LEU  83          HD12      LEU  83 -10.266 -25.816   3.229
  692   HD13  LEU  83          HD13      LEU  83  -8.610 -26.153   2.725
  693   HD21  LEU  83          HD21      LEU  83  -6.853 -24.678   5.479
  694   HD22  LEU  83          HD22      LEU  83  -7.397 -23.459   4.327
  695   HD23  LEU  83          HD23      LEU  83  -6.784 -25.012   3.751
  696    H    GLU  84           HN       GLU  84  -9.562 -23.404   9.169
  697    HA   GLU  84           HA       GLU  84 -11.978 -21.719   8.853
  698    HB2  GLU  84           HB2      GLU  84 -12.160 -23.729  10.314
  699    HB3  GLU  84           HB1      GLU  84 -10.890 -23.060  11.341
  700    HG2  GLU  84           HG2      GLU  84 -12.262 -21.081  11.796
  701    HG3  GLU  84           HG1      GLU  84 -13.518 -21.681  10.715
  702    H    HIS  85           HN       HIS  85 -11.647 -19.609   8.927
  703    HA   HIS  85           HA       HIS  85  -9.667 -18.508  10.829
  704    HB2  HIS  85           HB2      HIS  85  -8.645 -18.570   8.565
  705    HB3  HIS  85           HB1      HIS  85  -9.987 -17.599   7.958
  706    HD2  HIS  85           HD2      HIS  85  -9.501 -14.892   8.159
  707    HE1  HIS  85           HE1      HIS  85  -6.536 -15.033  11.162
  708    HE2  HIS  85           HE2      HIS  85  -7.818 -13.501   9.593
  709    H    HIS  86           HN       HIS  86 -12.751 -18.759  10.307
  710    HA   HIS  86           HA       HIS  86 -14.617 -17.485  10.719
  711    HB2  HIS  86           HB2      HIS  86 -12.605 -15.710  12.123
  712    HB3  HIS  86           HB1      HIS  86 -14.353 -15.672  12.350
  713    HD2  HIS  86           HD2      HIS  86 -11.315 -17.542  13.756
  714    HE1  HIS  86           HE1      HIS  86 -14.711 -19.745  14.953
  715    HE2  HIS  86           HE2      HIS  86 -12.210 -19.462  15.284
  716    H    HIS  87           HN       HIS  87 -15.034 -16.916   8.557
  717    HA   HIS  87           HA       HIS  87 -13.798 -14.660   7.295
  718    HB2  HIS  87           HB2      HIS  87 -15.477 -14.980   5.548
  719    HB3  HIS  87           HB1      HIS  87 -14.789 -16.536   6.015
  720    HD2  HIS  87           HD2      HIS  87 -18.185 -14.572   6.412
  721    HE1  HIS  87           HE1      HIS  87 -18.790 -18.550   7.688
  722    HE2  HIS  87           HE2      HIS  87 -19.940 -16.341   7.194
  723    H    HIS  88           HN       HIS  88 -14.448 -12.564   7.187
  724    HA   HIS  88           HA       HIS  88 -16.889 -11.799   8.704
  725    HB2  HIS  88           HB2      HIS  88 -14.248 -10.337   8.475
  726    HB3  HIS  88           HB1      HIS  88 -15.692  -9.701   9.261
  727    HD2  HIS  88           HD2      HIS  88 -12.775 -12.140  10.036
  728    HE1  HIS  88           HE1      HIS  88 -15.506 -12.418  13.242
  729    HE2  HIS  88           HE2      HIS  88 -13.191 -13.080  12.437
  730    H    HIS  89           HN       HIS  89 -18.245 -10.341   7.813
  731    HA   HIS  89           HA       HIS  89 -18.102  -9.930   4.966
  732    HB2  HIS  89           HB2      HIS  89 -20.275  -8.834   5.261
  733    HB3  HIS  89           HB1      HIS  89 -20.232 -10.363   6.138
  734    HD2  HIS  89           HD2      HIS  89 -20.893  -6.652   6.870
  735    HE1  HIS  89           HE1      HIS  89 -20.305  -8.513  10.613
  736    HE2  HIS  89           HE2      HIS  89 -21.084  -6.389   9.461
  737    H    HIS  90           HN       HIS  90 -17.390  -8.178   3.885
  738    HA   HIS  90           HA       HIS  90 -15.940  -6.126   5.203
  739    HB2  HIS  90           HB2      HIS  90 -17.011  -6.240   2.371
  740    HB3  HIS  90           HB1      HIS  90 -15.841  -5.062   2.965
  741    HD2  HIS  90           HD2      HIS  90 -15.787  -8.483   1.339
  742    HE1  HIS  90           HE1      HIS  90 -12.115  -8.173   3.397
  743    HE2  HIS  90           HE2      HIS  90 -13.415  -9.519   1.680
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  -9.938 -13.450  14.152
    2    H2   MET   1           HT2      MET   1  -8.815 -13.393  12.877
    3    H3   MET   1           HT3      MET   1 -10.245 -12.478  12.797
    4    HA   MET   1           HA       MET   1  -8.994 -10.797  13.530
    5    HB2  MET   1           HB2      MET   1  -9.305 -12.482  16.029
    6    HB3  MET   1           HB1      MET   1  -8.758 -10.805  16.043
    7    HG2  MET   1           HG2      MET   1 -10.853 -10.132  14.895
    8    HG3  MET   1           HG1      MET   1 -11.409 -11.804  14.959
    9    HE1  MET   1           HE1      MET   1 -12.222 -12.606  18.470
   10    HE2  MET   1           HE2      MET   1 -10.546 -12.843  17.985
   11    HE3  MET   1           HE3      MET   1 -11.840 -13.127  16.825
   12    H    GLY   2           HN       GLY   2  -7.609 -13.604  15.253
   13    HA2  GLY   2           HA2      GLY   2  -5.157 -13.711  13.958
   14    HA3  GLY   2           HA1      GLY   2  -4.963 -12.557  15.274
   15    H    VAL   3           HN       VAL   3  -3.352 -14.469  15.706
   16    HA   VAL   3           HA       VAL   3  -4.642 -16.221  17.711
   17    HB   VAL   3           HB       VAL   3  -4.338 -17.648  15.793
   18   HG11  VAL   3          HG11      VAL   3  -1.447 -16.733  15.762
   19   HG12  VAL   3          HG12      VAL   3  -2.685 -16.184  14.632
   20   HG13  VAL   3          HG13      VAL   3  -2.198 -17.880  14.650
   21   HG21  VAL   3          HG21      VAL   3  -2.944 -19.342  16.748
   22   HG22  VAL   3          HG22      VAL   3  -3.615 -18.446  18.110
   23   HG23  VAL   3          HG23      VAL   3  -1.955 -18.150  17.594
   24    H    TRP   4           HN       TRP   4  -3.464 -16.570  19.538
   25    HA   TRP   4           HA       TRP   4  -1.194 -14.797  19.982
   26    HB2  TRP   4           HB2      TRP   4  -2.510 -16.712  21.917
   27    HB3  TRP   4           HB1      TRP   4  -1.469 -15.342  22.308
   28    HD1  TRP   4           HD1      TRP   4  -5.017 -16.255  21.690
   29    HE1  TRP   4           HE1      TRP   4  -6.490 -14.139  21.671
   30    HE3  TRP   4           HE3      TRP   4  -1.394 -12.660  21.519
   31    HZ2  TRP   4           HZ2      TRP   4  -6.173 -11.297  21.594
   32    HZ3  TRP   4           HZ3      TRP   4  -2.008 -10.259  21.472
   33    HH2  TRP   4           HH2      TRP   4  -4.390  -9.574  21.509
   34    H    THR   5           HN       THR   5   0.864 -15.405  20.248
   35    HA   THR   5           HA       THR   5   1.878 -17.883  20.974
   36    HB   THR   5           HB       THR   5   2.625 -17.936  18.164
   37    HG1  THR   5           HG1      THR   5   0.377 -16.953  18.223
   38   HG21  THR   5          HG21      THR   5   1.821 -20.227  18.294
   39   HG22  THR   5          HG22      THR   5   0.977 -19.860  19.797
   40   HG23  THR   5          HG23      THR   5   2.736 -19.835  19.753
   41    HA   PRO   6           HA       PRO   6   5.189 -15.072  18.565
   42    HB2  PRO   6           HB2      PRO   6   3.555 -12.574  18.943
   43    HB3  PRO   6           HB1      PRO   6   4.712 -12.978  17.653
   44    HG2  PRO   6           HG2      PRO   6   2.126 -13.132  17.186
   45    HG3  PRO   6           HG1      PRO   6   3.212 -14.398  16.582
   46    HD2  PRO   6           HD2      PRO   6   1.336 -14.474  18.914
   47    HD3  PRO   6           HD1      PRO   6   1.748 -15.770  17.765
   48    H    GLU   7           HN       GLU   7   6.405 -13.035  19.586
   49    HA   GLU   7           HA       GLU   7   7.242 -13.603  22.104
   50    HB2  GLU   7           HB2      GLU   7   8.246 -11.865  20.647
   51    HB3  GLU   7           HB1      GLU   7   6.892 -10.797  21.027
   52    HG2  GLU   7           HG2      GLU   7   7.472 -10.831  23.393
   53    HG3  GLU   7           HG1      GLU   7   8.758 -11.999  23.092
   54    H    VAL   8           HN       VAL   8   4.200 -12.264  21.222
   55    HA   VAL   8           HA       VAL   8   3.472 -10.920  23.574
   56    HB   VAL   8           HB       VAL   8   2.128 -10.826  21.513
   57   HG11  VAL   8          HG11      VAL   8   1.198 -13.628  22.174
   58   HG12  VAL   8          HG12      VAL   8   2.490 -13.314  21.018
   59   HG13  VAL   8          HG13      VAL   8   0.870 -12.689  20.718
   60   HG21  VAL   8          HG21      VAL   8   0.533 -12.094  23.758
   61   HG22  VAL   8          HG22      VAL   8  -0.044 -10.932  22.565
   62   HG23  VAL   8          HG23      VAL   8   1.111 -10.429  23.799
   63    H    LEU   9           HN       LEU   9   3.227 -14.346  22.663
   64    HA   LEU   9           HA       LEU   9   1.878 -15.189  24.996
   65    HB2  LEU   9           HB2      LEU   9   2.452 -16.422  22.700
   66    HB3  LEU   9           HB1      LEU   9   3.837 -17.002  23.613
   67    HG   LEU   9           HG       LEU   9   2.054 -18.620  23.848
   68   HD11  LEU   9          HD11      LEU   9   2.006 -17.073  26.437
   69   HD12  LEU   9          HD12      LEU   9   3.469 -17.886  25.880
   70   HD13  LEU   9          HD13      LEU   9   2.008 -18.820  26.198
   71   HD21  LEU   9          HD21      LEU   9   0.299 -16.529  23.537
   72   HD22  LEU   9          HD22      LEU   9   0.167 -16.804  25.273
   73   HD23  LEU   9          HD23      LEU   9  -0.159 -18.117  24.145
   74    H    LYS  10           HN       LYS  10   5.332 -15.126  24.150
   75    HA   LYS  10           HA       LYS  10   6.259 -16.150  26.617
   76    HB2  LYS  10           HB2      LYS  10   7.601 -16.052  24.513
   77    HB3  LYS  10           HB1      LYS  10   7.733 -14.306  24.729
   78    HG2  LYS  10           HG2      LYS  10   8.963 -14.554  26.770
   79    HG3  LYS  10           HG1      LYS  10   8.584 -16.274  26.870
   80    HD2  LYS  10           HD2      LYS  10  10.906 -15.831  26.051
   81    HD3  LYS  10           HD1      LYS  10   9.927 -16.742  24.903
   82    HE2  LYS  10           HE2      LYS  10   9.631 -14.882  23.488
   83    HE3  LYS  10           HE1      LYS  10  10.093 -13.733  24.748
   84    HZ1  LYS  10           HZ1      LYS  10  11.878 -14.019  23.172
   85    HZ2  LYS  10           HZ2      LYS  10  11.877 -15.699  23.417
   86    HZ3  LYS  10           HZ3      LYS  10  12.340 -14.655  24.674
   87    H    ALA  11           HN       ALA  11   5.289 -12.976  25.568
   88    HA   ALA  11           HA       ALA  11   6.488 -11.258  27.318
   89    HB1  ALA  11           HB1      ALA  11   4.628  -9.820  27.072
   90    HB2  ALA  11           HB2      ALA  11   3.506 -11.167  26.884
   91    HB3  ALA  11           HB3      ALA  11   4.643 -10.779  25.594
   92    H    ARG  12           HN       ARG  12   3.636 -13.276  28.004
   93    HA   ARG  12           HA       ARG  12   3.392 -12.502  30.727
   94    HB2  ARG  12           HB2      ARG  12   2.448 -14.971  29.247
   95    HB3  ARG  12           HB1      ARG  12   1.979 -14.572  30.899
   96    HG2  ARG  12           HG2      ARG  12   1.581 -12.563  28.682
   97    HG3  ARG  12           HG1      ARG  12   0.410 -13.855  28.928
   98    HD2  ARG  12           HD2      ARG  12   0.132 -13.135  31.284
   99    HD3  ARG  12           HD1      ARG  12   1.257 -11.812  31.009
  100    HE   ARG  12           HE       ARG  12  -1.479 -12.008  30.004
  101   HH11  ARG  12          HH21      ARG  12   1.607 -10.432  29.920
  102   HH12  ARG  12          HH22      ARG  12   0.985  -8.957  29.257
  103   HH21  ARG  12          HH11      ARG  12  -2.292 -10.080  29.133
  104   HH22  ARG  12          HH12      ARG  12  -1.221  -8.758  28.811
  105    H    ALA  13           HN       ALA  13   5.105 -15.067  29.056
  106    HA   ALA  13           HA       ALA  13   6.026 -16.343  31.476
  107    HB1  ALA  13           HB1      ALA  13   7.193 -16.725  28.722
  108    HB2  ALA  13           HB2      ALA  13   5.670 -17.474  29.201
  109    HB3  ALA  13           HB3      ALA  13   7.155 -17.867  30.066
  110    H    SER  14           HN       SER  14   6.746 -13.474  30.092
  111    HA   SER  14           HA       SER  14   9.576 -13.412  30.050
  112    HB2  SER  14           HB2      SER  14   7.993 -11.693  29.053
  113    HB3  SER  14           HB1      SER  14   7.751 -11.087  30.689
  114    HG   SER  14           HG       SER  14   9.538 -10.214  29.215
  115    H    VAL  15           HN       VAL  15   7.401 -13.744  32.600
  116    HA   VAL  15           HA       VAL  15   8.611 -12.256  34.663
  117    HB   VAL  15           HB       VAL  15   7.083 -14.868  34.754
  118   HG11  VAL  15          HG11      VAL  15   6.696 -14.120  37.173
  119   HG12  VAL  15          HG12      VAL  15   8.043 -13.008  36.936
  120   HG13  VAL  15          HG13      VAL  15   8.302 -14.748  36.801
  121   HG21  VAL  15          HG21      VAL  15   5.932 -12.803  33.846
  122   HG22  VAL  15          HG22      VAL  15   6.195 -12.049  35.419
  123   HG23  VAL  15          HG23      VAL  15   5.181 -13.486  35.288
  124    H    ILE  16           HN       ILE  16   9.157 -15.586  33.539
  125    HA   ILE  16           HA       ILE  16  11.751 -15.596  34.991
  126    HB   ILE  16           HB       ILE  16  10.074 -17.095  36.051
  127   HG12  ILE  16          HG12      ILE  16  12.217 -18.689  34.622
  128   HG13  ILE  16          HG11      ILE  16  12.577 -17.574  35.942
  129   HG21  ILE  16          HG21      ILE  16   8.954 -17.571  33.760
  130   HG22  ILE  16          HG22      ILE  16   9.093 -18.909  34.900
  131   HG23  ILE  16          HG23      ILE  16  10.220 -18.782  33.549
  132   HD11  ILE  16          HD11      ILE  16  12.282 -19.930  36.722
  133   HD12  ILE  16          HD12      ILE  16  10.619 -19.880  36.139
  134   HD13  ILE  16          HD13      ILE  16  11.125 -18.817  37.452
  135    H    GLY  17           HN       GLY  17  13.450 -15.828  33.707
  136    HA2  GLY  17           HA2      GLY  17  13.172 -16.198  30.888
  137    HA3  GLY  17           HA1      GLY  17  14.690 -16.127  31.785
  138    H    LYS  18           HN       LYS  18  13.873 -17.922  29.607
  139    HA   LYS  18           HA       LYS  18  14.927 -20.351  30.635
  140    HB2  LYS  18           HB2      LYS  18  12.511 -20.356  31.499
  141    HB3  LYS  18           HB1      LYS  18  12.030 -20.564  29.814
  142    HG2  LYS  18           HG2      LYS  18  13.509 -22.571  29.681
  143    HG3  LYS  18           HG1      LYS  18  13.858 -22.390  31.400
  144    HD2  LYS  18           HD2      LYS  18  11.495 -22.677  31.948
  145    HD3  LYS  18           HD1      LYS  18  11.085 -22.760  30.234
  146    HE2  LYS  18           HE2      LYS  18  12.433 -24.792  29.985
  147    HE3  LYS  18           HE1      LYS  18  12.915 -24.699  31.679
  148    HZ1  LYS  18           HZ1      LYS  18  10.877 -25.346  32.396
  149    HZ2  LYS  18           HZ2      LYS  18  10.884 -26.150  30.899
  150    HZ3  LYS  18           HZ3      LYS  18  10.056 -24.676  31.072
  151    HA   PRO  19           HA       PRO  19  14.777 -19.437  25.985
  152    HB2  PRO  19           HB2      PRO  19  17.481 -19.005  25.663
  153    HB3  PRO  19           HB1      PRO  19  16.310 -17.714  26.001
  154    HG2  PRO  19           HG2      PRO  19  18.129 -19.150  27.880
  155    HG3  PRO  19           HG1      PRO  19  17.732 -17.425  27.795
  156    HD2  PRO  19           HD2      PRO  19  16.593 -19.069  29.632
  157    HD3  PRO  19           HD1      PRO  19  15.710 -17.697  28.926
  158    H    ILE  20           HN       ILE  20  14.671 -21.282  24.867
  159    HA   ILE  20           HA       ILE  20  16.207 -23.613  25.702
  160    HB   ILE  20           HB       ILE  20  13.735 -23.670  25.055
  161   HG12  ILE  20          HG12      ILE  20  15.476 -25.521  23.406
  162   HG13  ILE  20          HG11      ILE  20  15.356 -25.661  25.159
  163   HG21  ILE  20          HG21      ILE  20  13.112 -23.573  22.773
  164   HG22  ILE  20          HG22      ILE  20  14.781 -23.711  22.222
  165   HG23  ILE  20          HG23      ILE  20  14.221 -22.216  22.969
  166   HD11  ILE  20          HD11      ILE  20  13.013 -25.787  23.235
  167   HD12  ILE  20          HD12      ILE  20  12.925 -25.956  24.988
  168   HD13  ILE  20          HD13      ILE  20  13.762 -27.173  24.026
  169    H    GLY  21           HN       GLY  21  17.148 -24.993  23.876
  170    HA2  GLY  21           HA2      GLY  21  19.373 -23.843  22.777
  171    HA3  GLY  21           HA1      GLY  21  18.581 -25.254  22.080
  172    H    GLU  22           HN       GLU  22  19.941 -23.023  20.735
  173    HA   GLU  22           HA       GLU  22  18.144 -21.197  19.592
  174    HB2  GLU  22           HB2      GLU  22  20.718 -22.371  18.527
  175    HB3  GLU  22           HB1      GLU  22  19.858 -21.034  17.763
  176    HG2  GLU  22           HG2      GLU  22  20.065 -19.698  19.808
  177    HG3  GLU  22           HG1      GLU  22  20.863 -21.041  20.624
  178    H    SER  23           HN       SER  23  19.186 -24.412  18.475
  179    HA   SER  23           HA       SER  23  17.803 -24.403  16.027
  180    HB2  SER  23           HB2      SER  23  19.404 -26.110  16.349
  181    HB3  SER  23           HB1      SER  23  18.689 -26.603  17.881
  182    HG   SER  23           HG       SER  23  16.933 -26.678  15.790
  183    H    TYR  24           HN       TYR  24  16.816 -25.602  19.232
  184    HA   TYR  24           HA       TYR  24  14.208 -26.396  18.385
  185    HB2  TYR  24           HB2      TYR  24  15.325 -25.811  21.129
  186    HB3  TYR  24           HB1      TYR  24  13.732 -26.504  20.834
  187    HD1  TYR  24           HD2      TYR  24  17.379 -27.056  20.480
  188    HD2  TYR  24           HD1      TYR  24  13.468 -28.801  20.154
  189    HE1  TYR  24           HE2      TYR  24  18.399 -29.306  20.274
  190    HE2  TYR  24           HE1      TYR  24  14.489 -31.052  19.946
  191    HH   TYR  24           HH       TYR  24  17.457 -31.650  19.103
  192    H    LYS  25           HN       LYS  25  15.568 -23.472  19.817
  193    HA   LYS  25           HA       LYS  25  13.200 -22.114  20.432
  194    HB2  LYS  25           HB2      LYS  25  15.450 -21.352  21.121
  195    HB3  LYS  25           HB1      LYS  25  15.815 -20.943  19.446
  196    HG2  LYS  25           HG2      LYS  25  14.050 -19.284  19.405
  197    HG3  LYS  25           HG1      LYS  25  13.502 -19.765  21.012
  198    HD2  LYS  25           HD2      LYS  25  15.685 -19.056  21.945
  199    HD3  LYS  25           HD1      LYS  25  16.203 -18.560  20.333
  200    HE2  LYS  25           HE2      LYS  25  15.420 -16.559  21.335
  201    HE3  LYS  25           HE1      LYS  25  14.086 -17.080  20.306
  202    HZ1  LYS  25           HZ1      LYS  25  13.294 -16.470  22.494
  203    HZ2  LYS  25           HZ2      LYS  25  14.343 -17.591  23.222
  204    HZ3  LYS  25           HZ3      LYS  25  13.068 -18.131  22.238
  205    H    ARG  26           HN       ARG  26  14.354 -23.129  17.437
  206    HA   ARG  26           HA       ARG  26  13.583 -21.059  15.714
  207    HB2  ARG  26           HB2      ARG  26  14.886 -23.066  15.037
  208    HB3  ARG  26           HB1      ARG  26  13.423 -24.039  15.203
  209    HG2  ARG  26           HG2      ARG  26  12.297 -22.594  13.514
  210    HG3  ARG  26           HG1      ARG  26  13.800 -21.690  13.318
  211    HD2  ARG  26           HD2      ARG  26  14.928 -23.855  12.702
  212    HD3  ARG  26           HD1      ARG  26  13.342 -24.624  12.720
  213    HE   ARG  26           HE       ARG  26  14.338 -22.729  10.732
  214   HH11  ARG  26          HH21      ARG  26  11.673 -24.469  12.101
  215   HH12  ARG  26          HH22      ARG  26  10.679 -24.322  10.692
  216   HH21  ARG  26          HH11      ARG  26  13.034 -22.527   8.889
  217   HH22  ARG  26          HH12      ARG  26  11.446 -23.220   8.876
  218    H    ILE  27           HN       ILE  27  11.738 -23.556  17.354
  219    HA   ILE  27           HA       ILE  27   9.371 -23.337  15.865
  220    HB   ILE  27           HB       ILE  27   9.898 -25.144  17.515
  221   HG12  ILE  27          HG12      ILE  27   7.304 -23.744  18.212
  222   HG13  ILE  27          HG11      ILE  27   7.544 -24.544  16.659
  223   HG21  ILE  27          HG21      ILE  27  10.666 -23.403  19.266
  224   HG22  ILE  27          HG22      ILE  27   9.727 -24.775  19.848
  225   HG23  ILE  27          HG23      ILE  27   8.953 -23.205  19.632
  226   HD11  ILE  27          HD11      ILE  27   7.525 -25.780  19.417
  227   HD12  ILE  27          HD12      ILE  27   8.235 -26.621  18.038
  228   HD13  ILE  27          HD13      ILE  27   6.528 -26.194  18.027
  229    H    LEU  28           HN       LEU  28  10.416 -21.703  18.827
  230    HA   LEU  28           HA       LEU  28   8.095 -20.132  19.156
  231    HB2  LEU  28           HB2      LEU  28   9.992 -20.604  20.847
  232    HB3  LEU  28           HB1      LEU  28  10.855 -19.295  20.042
  233    HG   LEU  28           HG       LEU  28   8.593 -17.966  20.415
  234   HD11  LEU  28          HD11      LEU  28   8.481 -20.107  22.566
  235   HD12  LEU  28          HD12      LEU  28   7.286 -19.843  21.296
  236   HD13  LEU  28          HD13      LEU  28   7.511 -18.635  22.559
  237   HD21  LEU  28          HD21      LEU  28  10.700 -17.295  21.418
  238   HD22  LEU  28          HD22      LEU  28  10.595 -18.594  22.606
  239   HD23  LEU  28          HD23      LEU  28   9.452 -17.252  22.663
  240    H    ALA  29           HN       ALA  29  11.195 -19.517  17.563
  241    HA   ALA  29           HA       ALA  29  10.656 -16.826  16.844
  242    HB1  ALA  29           HB1      ALA  29  12.486 -18.741  15.388
  243    HB2  ALA  29           HB2      ALA  29  12.927 -17.931  16.891
  244    HB3  ALA  29           HB3      ALA  29  12.592 -16.981  15.443
  245    H    LYS  30           HN       LYS  30   9.988 -19.916  15.340
  246    HA   LYS  30           HA       LYS  30   9.320 -19.052  12.759
  247    HB2  LYS  30           HB2      LYS  30   9.590 -21.413  13.296
  248    HB3  LYS  30           HB1      LYS  30   8.193 -21.353  14.372
  249    HG2  LYS  30           HG2      LYS  30   6.687 -20.954  12.574
  250    HG3  LYS  30           HG1      LYS  30   7.998 -20.593  11.448
  251    HD2  LYS  30           HD2      LYS  30   8.084 -23.304  12.721
  252    HD3  LYS  30           HD1      LYS  30   6.767 -23.032  11.582
  253    HE2  LYS  30           HE2      LYS  30   8.922 -23.950  10.575
  254    HE3  LYS  30           HE1      LYS  30   8.277 -22.498   9.808
  255    HZ1  LYS  30           HZ1      LYS  30  10.385 -22.512  11.894
  256    HZ2  LYS  30           HZ2      LYS  30   9.803 -21.156  11.053
  257    HZ3  LYS  30           HZ3      LYS  30  10.672 -22.361  10.229
  258    H    LEU  31           HN       LEU  31   7.498 -19.044  15.757
  259    HA   LEU  31           HA       LEU  31   4.908 -18.702  14.913
  260    HB2  LEU  31           HB2      LEU  31   6.252 -17.102  17.101
  261    HB3  LEU  31           HB1      LEU  31   4.531 -17.450  16.959
  262    HG   LEU  31           HG       LEU  31   6.712 -19.530  17.303
  263   HD11  LEU  31          HD11      LEU  31   5.691 -19.826  19.558
  264   HD12  LEU  31          HD12      LEU  31   4.649 -18.441  19.239
  265   HD13  LEU  31          HD13      LEU  31   6.396 -18.224  19.343
  266   HD21  LEU  31          HD21      LEU  31   3.725 -19.676  16.916
  267   HD22  LEU  31          HD22      LEU  31   4.550 -20.922  17.855
  268   HD23  LEU  31          HD23      LEU  31   4.990 -20.651  16.171
  269    H    GLN  32           HN       GLN  32   7.520 -16.324  14.919
  270    HA   GLN  32           HA       GLN  32   6.007 -14.048  14.277
  271    HB2  GLN  32           HB2      GLN  32   8.420 -14.060  14.954
  272    HB3  GLN  32           HB1      GLN  32   8.819 -14.678  13.352
  273    HG2  GLN  32           HG2      GLN  32   9.101 -12.274  13.324
  274    HG3  GLN  32           HG1      GLN  32   7.677 -12.669  12.365
  275   HE21  GLN  32          HE21      GLN  32   6.866 -10.443  12.820
  276   HE22  GLN  32          HE22      GLN  32   6.164 -10.099  14.326
  277    H    ARG  33           HN       ARG  33   7.466 -16.544  12.224
  278    HA   ARG  33           HA       ARG  33   6.786 -15.339   9.742
  279    HB2  ARG  33           HB2      ARG  33   8.496 -17.122   9.976
  280    HB3  ARG  33           HB1      ARG  33   7.216 -18.275  10.351
  281    HG2  ARG  33           HG2      ARG  33   6.169 -17.842   8.160
  282    HG3  ARG  33           HG1      ARG  33   7.436 -16.673   7.785
  283    HD2  ARG  33           HD2      ARG  33   7.897 -19.610   8.371
  284    HD3  ARG  33           HD1      ARG  33   7.880 -18.888   6.764
  285    HE   ARG  33           HE       ARG  33  10.001 -18.673   8.735
  286   HH11  ARG  33          HH21      ARG  33   8.498 -17.386   5.896
  287   HH12  ARG  33          HH22      ARG  33   9.921 -16.566   5.347
  288   HH21  ARG  33          HH11      ARG  33  11.869 -17.601   8.024
  289   HH22  ARG  33          HH12      ARG  33  11.830 -16.688   6.552
  290    H    ILE  34           HN       ILE  34   5.164 -17.676  11.838
  291    HA   ILE  34           HA       ILE  34   3.027 -18.339  10.139
  292    HB   ILE  34           HB       ILE  34   2.929 -18.137  13.155
  293   HG12  ILE  34          HG12      ILE  34   4.881 -19.441  12.543
  294   HG13  ILE  34          HG11      ILE  34   3.626 -20.546  13.087
  295   HG21  ILE  34          HG21      ILE  34   1.268 -19.956  12.920
  296   HG22  ILE  34          HG22      ILE  34   1.417 -19.856  11.166
  297   HG23  ILE  34          HG23      ILE  34   0.755 -18.496  12.073
  298   HD11  ILE  34          HD11      ILE  34   3.004 -20.689  10.544
  299   HD12  ILE  34          HD12      ILE  34   4.402 -21.583  11.136
  300   HD13  ILE  34          HD13      ILE  34   4.628 -20.052  10.292
  301    H    HIS  35           HN       HIS  35   3.509 -15.632  12.350
  302    HA   HIS  35           HA       HIS  35   0.897 -14.615  12.363
  303    HB2  HIS  35           HB2      HIS  35   2.680 -13.788  13.840
  304    HB3  HIS  35           HB1      HIS  35   3.522 -13.108  12.448
  305    HD2  HIS  35           HD2      HIS  35   2.669 -10.566  11.748
  306    HE1  HIS  35           HE1      HIS  35  -0.836 -10.473  14.098
  307    HE2  HIS  35           HE2      HIS  35   0.666  -9.107  12.573
  308    H    ASN  36           HN       ASN  36   3.628 -13.812  10.197
  309    HA   ASN  36           HA       ASN  36   2.128 -12.047   8.547
  310    HB2  ASN  36           HB2      ASN  36   4.716 -13.540   8.118
  311    HB3  ASN  36           HB1      ASN  36   4.042 -12.426   6.929
  312   HD21  ASN  36          HD21      ASN  36   6.543 -11.865   8.177
  313   HD22  ASN  36          HD22      ASN  36   6.349 -10.519   9.193
  314    H    SER  37           HN       SER  37   2.953 -15.474   8.304
  315    HA   SER  37           HA       SER  37   1.344 -15.761   5.864
  316    HB2  SER  37           HB2      SER  37   2.311 -18.022   5.763
  317    HB3  SER  37           HB1      SER  37   3.562 -16.786   5.839
  318    HG   SER  37           HG       SER  37   2.869 -18.741   7.653
  319    H    ASN  38           HN       ASN  38   0.332 -15.357   8.720
  320    HA   ASN  38           HA       ASN  38  -0.759 -17.661   9.794
  321    HB2  ASN  38           HB2      ASN  38  -0.882 -15.328  10.751
  322    HB3  ASN  38           HB1      ASN  38  -2.196 -15.006   9.621
  323   HD21  ASN  38          HD21      ASN  38  -3.745 -14.774  11.402
  324   HD22  ASN  38          HD22      ASN  38  -4.292 -16.130  12.264
  325    H    ILE  39           HN       ILE  39  -1.976 -19.164   8.905
  326    HA   ILE  39           HA       ILE  39  -3.552 -20.232   7.635
  327    HB   ILE  39           HB       ILE  39  -4.960 -17.572   7.497
  328   HG12  ILE  39          HG12      ILE  39  -5.005 -19.622   9.701
  329   HG13  ILE  39          HG11      ILE  39  -4.247 -18.040   9.821
  330   HG21  ILE  39          HG21      ILE  39  -5.781 -19.594   6.180
  331   HG22  ILE  39          HG22      ILE  39  -6.940 -18.916   7.321
  332   HG23  ILE  39          HG23      ILE  39  -6.049 -20.381   7.734
  333   HD11  ILE  39          HD11      ILE  39  -6.396 -17.775  10.807
  334   HD12  ILE  39          HD12      ILE  39  -7.183 -18.678   9.511
  335   HD13  ILE  39          HD13      ILE  39  -6.533 -17.069   9.197
  336    H    LEU  40           HN       LEU  40  -1.504 -19.872   6.099
  337    HA   LEU  40           HA       LEU  40  -2.489 -18.608   3.595
  338    HB2  LEU  40           HB2      LEU  40   0.178 -18.650   4.888
  339    HB3  LEU  40           HB1      LEU  40   0.180 -18.856   3.141
  340    HG   LEU  40           HG       LEU  40   0.339 -16.467   3.888
  341   HD11  LEU  40          HD11      LEU  40  -2.282 -16.567   2.481
  342   HD12  LEU  40          HD12      LEU  40  -0.966 -17.460   1.721
  343   HD13  LEU  40          HD13      LEU  40  -0.792 -15.739   2.040
  344   HD21  LEU  40          HD21      LEU  40  -1.436 -17.039   5.801
  345   HD22  LEU  40          HD22      LEU  40  -2.576 -16.494   4.579
  346   HD23  LEU  40          HD23      LEU  40  -1.300 -15.415   5.139
  347    H    ASP  41           HN       ASP  41  -2.912 -19.899   1.968
  348    HA   ASP  41           HA       ASP  41  -3.023 -22.619   2.038
  349    HB2  ASP  41           HB2      ASP  41  -2.965 -22.569  -0.436
  350    HB3  ASP  41           HB1      ASP  41  -4.008 -21.315   0.231
  351    H    GLU  42           HN       GLU  42  -0.195 -20.687   1.798
  352    HA   GLU  42           HA       GLU  42   1.480 -22.804   0.720
  353    HB2  GLU  42           HB2      GLU  42   1.915 -20.418   0.215
  354    HB3  GLU  42           HB1      GLU  42   2.244 -20.137   1.926
  355    HG2  GLU  42           HG2      GLU  42   4.098 -21.736   1.863
  356    HG3  GLU  42           HG1      GLU  42   3.746 -22.108   0.177
  357    H    ARG  43           HN       ARG  43   1.427 -20.961   3.787
  358    HA   ARG  43           HA       ARG  43   3.106 -22.917   5.094
  359    HB2  ARG  43           HB2      ARG  43   1.826 -20.311   5.884
  360    HB3  ARG  43           HB1      ARG  43   2.443 -21.376   7.146
  361    HG2  ARG  43           HG2      ARG  43   4.183 -20.708   4.772
  362    HG3  ARG  43           HG1      ARG  43   4.033 -19.559   6.098
  363    HD2  ARG  43           HD2      ARG  43   4.746 -21.302   7.694
  364    HD3  ARG  43           HD1      ARG  43   4.922 -22.450   6.373
  365    HE   ARG  43           HE       ARG  43   6.680 -20.194   6.968
  366   HH11  ARG  43          HH21      ARG  43   5.684 -22.686   4.777
  367   HH12  ARG  43          HH22      ARG  43   7.177 -22.702   3.901
  368   HH21  ARG  43          HH11      ARG  43   8.638 -20.210   5.815
  369   HH22  ARG  43          HH12      ARG  43   8.846 -21.299   4.485
  370    H    GLN  44           HN       GLN  44  -0.243 -22.495   4.631
  371    HA   GLN  44           HA       GLN  44  -1.446 -23.488   6.888
  372    HB2  GLN  44           HB2      GLN  44  -2.045 -23.680   3.963
  373    HB3  GLN  44           HB1      GLN  44  -2.973 -24.716   5.042
  374    HG2  GLN  44           HG2      GLN  44  -3.760 -22.817   6.305
  375    HG3  GLN  44           HG1      GLN  44  -2.680 -21.725   5.446
  376   HE21  GLN  44          HE21      GLN  44  -5.093 -24.237   4.465
  377   HE22  GLN  44          HE22      GLN  44  -5.860 -23.252   3.315
  378    H    GLY  45           HN       GLY  45   0.391 -25.251   4.456
  379    HA2  GLY  45           HA2      GLY  45  -0.268 -27.863   5.362
  380    HA3  GLY  45           HA1      GLY  45   1.128 -27.429   4.378
  381    H    LEU  46           HN       LEU  46   2.194 -25.502   6.235
  382    HA   LEU  46           HA       LEU  46   3.813 -27.206   7.775
  383    HB2  LEU  46           HB2      LEU  46   4.230 -24.762   6.954
  384    HB3  LEU  46           HB1      LEU  46   3.437 -24.292   8.454
  385    HG   LEU  46           HG       LEU  46   5.786 -26.221   8.378
  386   HD11  LEU  46          HD11      LEU  46   7.242 -24.356   8.912
  387   HD12  LEU  46          HD12      LEU  46   5.880 -23.235   8.881
  388   HD13  LEU  46          HD13      LEU  46   6.412 -24.021   7.393
  389   HD21  LEU  46          HD21      LEU  46   4.826 -26.432  10.502
  390   HD22  LEU  46          HD22      LEU  46   4.278 -24.759  10.539
  391   HD23  LEU  46          HD23      LEU  46   5.981 -25.134  10.786
  392    H    MET  47           HN       MET  47   1.008 -25.214   8.617
  393    HA   MET  47           HA       MET  47   0.940 -25.379  11.341
  394    HB2  MET  47           HB2      MET  47  -1.340 -25.689   9.381
  395    HB3  MET  47           HB1      MET  47  -1.568 -25.482  11.116
  396    HG2  MET  47           HG2      MET  47  -0.286 -23.349  11.002
  397    HG3  MET  47           HG1      MET  47  -0.153 -23.549   9.256
  398    HE1  MET  47           HE1      MET  47  -2.554 -20.619   9.777
  399    HE2  MET  47           HE2      MET  47  -1.624 -21.281   8.433
  400    HE3  MET  47           HE3      MET  47  -0.883 -21.144  10.025
  401    H    HIS  48           HN       HIS  48   0.057 -27.932   9.047
  402    HA   HIS  48           HA       HIS  48  -0.997 -29.777  10.888
  403    HB2  HIS  48           HB2      HIS  48  -1.207 -30.039   8.453
  404    HB3  HIS  48           HB1      HIS  48   0.531 -30.306   8.327
  405    HD2  HIS  48           HD2      HIS  48   1.350 -32.915   8.894
  406    HE1  HIS  48           HE1      HIS  48  -2.384 -34.372  10.221
  407    HE2  HIS  48           HE2      HIS  48   0.002 -35.022   9.643
  408    H    GLU  49           HN       GLU  49   2.329 -29.378   9.667
  409    HA   GLU  49           HA       GLU  49   3.416 -31.457  11.299
  410    HB2  GLU  49           HB2      GLU  49   4.712 -29.163   9.817
  411    HB3  GLU  49           HB1      GLU  49   5.612 -30.430  10.655
  412    HG2  GLU  49           HG2      GLU  49   4.591 -32.143   9.260
  413    HG3  GLU  49           HG1      GLU  49   3.564 -30.940   8.481
  414    H    LEU  50           HN       LEU  50   2.920 -28.015  11.645
  415    HA   LEU  50           HA       LEU  50   4.571 -27.579  13.886
  416    HB2  LEU  50           HB2      LEU  50   3.411 -25.846  12.362
  417    HB3  LEU  50           HB1      LEU  50   2.006 -26.079  13.389
  418    HG   LEU  50           HG       LEU  50   3.591 -25.630  15.373
  419   HD11  LEU  50          HD11      LEU  50   5.772 -25.726  14.466
  420   HD12  LEU  50          HD12      LEU  50   5.475 -24.001  14.624
  421   HD13  LEU  50          HD13      LEU  50   5.326 -24.777  13.049
  422   HD21  LEU  50          HD21      LEU  50   2.754 -23.544  13.358
  423   HD22  LEU  50          HD22      LEU  50   3.468 -23.102  14.909
  424   HD23  LEU  50          HD23      LEU  50   1.950 -23.997  14.860
  425    H    MET  51           HN       MET  51   1.203 -28.593  13.575
  426    HA   MET  51           HA       MET  51   0.424 -28.361  16.248
  427    HB2  MET  51           HB2      MET  51  -1.117 -28.813  14.365
  428    HB3  MET  51           HB1      MET  51  -0.444 -30.437  14.225
  429    HG2  MET  51           HG2      MET  51  -1.174 -30.965  16.506
  430    HG3  MET  51           HG1      MET  51  -1.782 -29.323  16.703
  431    HE1  MET  51           HE1      MET  51  -1.732 -32.478  14.828
  432    HE2  MET  51           HE2      MET  51  -2.222 -31.694  13.330
  433    HE3  MET  51           HE3      MET  51  -3.352 -32.748  14.173
  434    H    GLU  52           HN       GLU  52   1.738 -31.195  14.537
  435    HA   GLU  52           HA       GLU  52   1.857 -32.818  16.880
  436    HB2  GLU  52           HB2      GLU  52   3.257 -34.313  15.455
  437    HB3  GLU  52           HB1      GLU  52   1.728 -33.860  14.700
  438    HG2  GLU  52           HG2      GLU  52   2.913 -32.045  13.483
  439    HG3  GLU  52           HG1      GLU  52   4.437 -32.617  14.155
  440    H    LEU  53           HN       LEU  53   4.154 -30.751  15.181
  441    HA   LEU  53           HA       LEU  53   6.457 -31.523  16.604
  442    HB2  LEU  53           HB2      LEU  53   6.476 -30.191  14.493
  443    HB3  LEU  53           HB1      LEU  53   5.856 -28.814  15.399
  444    HG   LEU  53           HG       LEU  53   7.866 -28.938  16.892
  445   HD11  LEU  53          HD11      LEU  53   8.691 -31.123  16.788
  446   HD12  LEU  53          HD12      LEU  53   9.820 -30.279  15.736
  447   HD13  LEU  53          HD13      LEU  53   8.506 -31.226  15.040
  448   HD21  LEU  53          HD21      LEU  53   9.488 -28.142  15.107
  449   HD22  LEU  53          HD22      LEU  53   7.918 -27.340  15.100
  450   HD23  LEU  53          HD23      LEU  53   8.274 -28.592  13.911
  451    H    ILE  54           HN       ILE  54   4.045 -28.997  17.206
  452    HA   ILE  54           HA       ILE  54   5.320 -27.796  19.406
  453    HB   ILE  54           HB       ILE  54   2.420 -27.969  18.607
  454   HG12  ILE  54          HG12      ILE  54   4.355 -26.635  17.335
  455   HG13  ILE  54          HG11      ILE  54   2.771 -25.916  17.578
  456   HG21  ILE  54          HG21      ILE  54   3.731 -26.571  20.940
  457   HG22  ILE  54          HG22      ILE  54   2.321 -27.623  20.948
  458   HG23  ILE  54          HG23      ILE  54   2.208 -26.006  20.260
  459   HD11  ILE  54          HD11      ILE  54   4.838 -24.473  18.167
  460   HD12  ILE  54          HD12      ILE  54   4.967 -25.497  19.599
  461   HD13  ILE  54          HD13      ILE  54   3.518 -24.537  19.334
  462    H    ASP  55           HN       ASP  55   2.979 -30.451  19.217
  463    HA   ASP  55           HA       ASP  55   2.590 -30.787  21.973
  464    HB2  ASP  55           HB2      ASP  55   1.177 -31.793  20.188
  465    HB3  ASP  55           HB1      ASP  55   2.492 -32.903  19.814
  466    H    LEU  56           HN       LEU  56   4.819 -32.399  19.719
  467    HA   LEU  56           HA       LEU  56   6.024 -34.037  21.656
  468    HB2  LEU  56           HB2      LEU  56   7.005 -33.023  18.992
  469    HB3  LEU  56           HB1      LEU  56   7.897 -34.195  19.959
  470    HG   LEU  56           HG       LEU  56   5.007 -34.600  19.145
  471   HD11  LEU  56          HD11      LEU  56   5.889 -36.071  17.351
  472   HD12  LEU  56          HD12      LEU  56   7.527 -35.549  17.750
  473   HD13  LEU  56          HD13      LEU  56   6.360 -34.387  17.118
  474   HD21  LEU  56          HD21      LEU  56   5.872 -37.070  19.457
  475   HD22  LEU  56          HD22      LEU  56   5.466 -36.121  20.880
  476   HD23  LEU  56          HD23      LEU  56   7.152 -36.315  20.407
  477    H    TYR  57           HN       TYR  57   6.913 -30.852  20.399
  478    HA   TYR  57           HA       TYR  57   9.331 -30.627  21.884
  479    HB2  TYR  57           HB2      TYR  57   7.567 -28.766  20.333
  480    HB3  TYR  57           HB1      TYR  57   8.754 -28.052  21.421
  481    HD1  TYR  57           HD1      TYR  57   9.062 -31.237  19.476
  482    HD2  TYR  57           HD2      TYR  57  10.359 -27.167  19.930
  483    HE1  TYR  57           HE1      TYR  57  10.855 -31.624  17.817
  484    HE2  TYR  57           HE2      TYR  57  12.152 -27.557  18.265
  485    HH   TYR  57           HH       TYR  57  13.159 -29.042  16.966
  486    H    GLU  58           HN       GLU  58   6.028 -29.448  22.455
  487    HA   GLU  58           HA       GLU  58   6.705 -28.213  24.943
  488    HB2  GLU  58           HB2      GLU  58   4.046 -28.994  23.733
  489    HB3  GLU  58           HB1      GLU  58   4.214 -28.099  25.243
  490    HG2  GLU  58           HG2      GLU  58   5.374 -27.199  22.592
  491    HG3  GLU  58           HG1      GLU  58   3.848 -26.621  23.256
  492    H    GLU  59           HN       GLU  59   4.777 -31.134  24.194
  493    HA   GLU  59           HA       GLU  59   4.254 -32.080  26.679
  494    HB2  GLU  59           HB2      GLU  59   3.529 -33.209  24.649
  495    HB3  GLU  59           HB1      GLU  59   5.177 -33.768  24.359
  496    HG2  GLU  59           HG2      GLU  59   5.168 -35.117  26.325
  497    HG3  GLU  59           HG1      GLU  59   3.696 -34.357  26.926
  498    H    SER  60           HN       SER  60   7.360 -31.611  25.383
  499    HA   SER  60           HA       SER  60   8.799 -33.575  26.870
  500    HB2  SER  60           HB2      SER  60   9.661 -32.439  24.829
  501    HB3  SER  60           HB1      SER  60   9.780 -30.941  25.749
  502    HG   SER  60           HG       SER  60  11.599 -32.748  25.570
  503    H    GLN  61           HN       GLN  61   7.312 -30.606  27.821
  504    HA   GLN  61           HA       GLN  61   9.077 -30.352  30.185
  505    HB2  GLN  61           HB2      GLN  61   7.977 -28.419  28.424
  506    HB3  GLN  61           HB1      GLN  61   7.135 -28.189  29.948
  507    HG2  GLN  61           HG2      GLN  61   9.325 -28.062  31.113
  508    HG3  GLN  61           HG1      GLN  61  10.136 -28.200  29.550
  509   HE21  GLN  61          HE21      GLN  61   9.988 -26.394  28.070
  510   HE22  GLN  61          HE22      GLN  61   9.402 -24.880  28.564
  511    HA   PRO  62           HA       PRO  62   4.878 -30.858  32.216
  512    HB2  PRO  62           HB2      PRO  62   2.576 -30.660  30.768
  513    HB3  PRO  62           HB1      PRO  62   3.519 -29.229  31.236
  514    HG2  PRO  62           HG2      PRO  62   3.193 -30.458  28.587
  515    HG3  PRO  62           HG1      PRO  62   3.743 -28.830  29.009
  516    HD2  PRO  62           HD2      PRO  62   5.369 -31.171  28.348
  517    HD3  PRO  62           HD1      PRO  62   5.879 -29.497  28.584
  518    H    SER  63           HN       SER  63   5.710 -33.030  32.284
  519    HA   SER  63           HA       SER  63   4.462 -35.111  30.681
  520    HB2  SER  63           HB2      SER  63   5.952 -36.619  31.854
  521    HB3  SER  63           HB1      SER  63   6.880 -35.205  31.361
  522    HG   SER  63           HG       SER  63   5.638 -35.468  33.899
  523    H    SER  64           HN       SER  64   3.782 -33.341  33.456
  524    HA   SER  64           HA       SER  64   2.421 -35.444  34.926
  525    HB2  SER  64           HB2      SER  64   1.658 -33.454  36.348
  526    HB3  SER  64           HB1      SER  64   3.385 -33.795  36.320
  527    HG   SER  64           HG       SER  64   3.710 -31.967  35.332
  528    H    GLU  65           HN       GLU  65   1.574 -34.821  32.174
  529    HA   GLU  65           HA       GLU  65  -0.372 -34.683  30.974
  530    HB2  GLU  65           HB2      GLU  65  -1.615 -35.018  33.718
  531    HB3  GLU  65           HB1      GLU  65  -2.514 -35.047  32.207
  532    HG2  GLU  65           HG2      GLU  65  -1.248 -36.968  31.427
  533    HG3  GLU  65           HG1      GLU  65  -0.206 -36.900  32.849
  534    H    ARG  66           HN       ARG  66   0.936 -32.313  32.411
  535    HA   ARG  66           HA       ARG  66  -1.243 -30.430  32.753
  536    HB2  ARG  66           HB2      ARG  66   1.757 -30.164  32.832
  537    HB3  ARG  66           HB1      ARG  66   0.673 -28.785  32.997
  538    HG2  ARG  66           HG2      ARG  66  -0.407 -29.863  34.922
  539    HG3  ARG  66           HG1      ARG  66   0.653 -31.261  34.742
  540    HD2  ARG  66           HD2      ARG  66   2.618 -29.828  35.127
  541    HD3  ARG  66           HD1      ARG  66   1.568 -28.425  35.290
  542    HE   ARG  66           HE       ARG  66   0.662 -30.300  37.135
  543   HH11  ARG  66          HH21      ARG  66   3.559 -28.546  36.429
  544   HH12  ARG  66          HH22      ARG  66   4.069 -28.452  38.081
  545   HH21  ARG  66          HH11      ARG  66   1.321 -30.180  39.302
  546   HH22  ARG  66          HH12      ARG  66   2.799 -29.376  39.709
  547    H    LEU  67           HN       LEU  67   0.616 -31.604  30.173
  548    HA   LEU  67           HA       LEU  67   1.041 -29.577  28.406
  549    HB2  LEU  67           HB2      LEU  67  -0.012 -31.399  26.673
  550    HB3  LEU  67           HB1      LEU  67   1.585 -31.576  27.383
  551    HG   LEU  67           HG       LEU  67   0.648 -32.985  29.171
  552   HD11  LEU  67          HD11      LEU  67  -1.825 -33.759  28.633
  553   HD12  LEU  67          HD12      LEU  67  -1.934 -32.186  27.844
  554   HD13  LEU  67          HD13      LEU  67  -1.545 -32.290  29.559
  555   HD21  LEU  67          HD21      LEU  67   0.025 -33.724  26.313
  556   HD22  LEU  67          HD22      LEU  67  -0.179 -34.866  27.642
  557   HD23  LEU  67          HD23      LEU  67   1.413 -34.199  27.290
  558    H    ASN  68           HN       ASN  68  -1.987 -30.576  29.689
  559    HA   ASN  68           HA       ASN  68  -3.837 -29.850  27.782
  560    HB2  ASN  68           HB2      ASN  68  -5.337 -29.285  29.669
  561    HB3  ASN  68           HB1      ASN  68  -4.477 -30.798  29.943
  562   HD21  ASN  68          HD21      ASN  68  -4.757 -30.464  32.308
  563   HD22  ASN  68          HD22      ASN  68  -3.767 -29.355  33.127
  564    H    ALA  69           HN       ALA  69  -1.575 -27.866  29.448
  565    HA   ALA  69           HA       ALA  69  -2.938 -25.365  29.146
  566    HB1  ALA  69           HB1      ALA  69   0.035 -25.846  29.437
  567    HB2  ALA  69           HB2      ALA  69  -1.094 -25.796  30.791
  568    HB3  ALA  69           HB3      ALA  69  -0.843 -24.360  29.800
  569    H    PHE  70           HN       PHE  70  -0.226 -26.891  27.398
  570    HA   PHE  70           HA       PHE  70  -0.074 -24.900  25.367
  571    HB2  PHE  70           HB2      PHE  70   1.772 -26.093  24.732
  572    HB3  PHE  70           HB1      PHE  70   1.456 -27.115  26.134
  573    HD1  PHE  70           HD1      PHE  70   0.735 -26.709  22.504
  574    HD2  PHE  70           HD2      PHE  70   0.736 -29.367  25.868
  575    HE1  PHE  70           HE1      PHE  70   0.195 -28.603  21.002
  576    HE2  PHE  70           HE2      PHE  70   0.200 -31.272  24.362
  577    HZ   PHE  70           HZ       PHE  70  -0.077 -30.883  21.932
  578    H    ARG  71           HN       ARG  71  -1.902 -27.871  25.748
  579    HA   ARG  71           HA       ARG  71  -2.748 -28.413  23.208
  580    HB2  ARG  71           HB2      ARG  71  -3.406 -29.710  25.208
  581    HB3  ARG  71           HB1      ARG  71  -4.517 -28.418  25.659
  582    HG2  ARG  71           HG2      ARG  71  -5.770 -28.727  23.586
  583    HG3  ARG  71           HG1      ARG  71  -4.621 -29.954  23.049
  584    HD2  ARG  71           HD2      ARG  71  -6.568 -31.070  23.977
  585    HD3  ARG  71           HD1      ARG  71  -5.202 -31.312  25.061
  586    HE   ARG  71           HE       ARG  71  -6.263 -29.961  26.654
  587   HH11  ARG  71          HH21      ARG  71  -7.861 -29.859  23.586
  588   HH12  ARG  71          HH22      ARG  71  -9.278 -29.070  24.194
  589   HH21  ARG  71          HH11      ARG  71  -8.121 -28.926  27.459
  590   HH22  ARG  71          HH12      ARG  71  -9.425 -28.542  26.386
  591    H    GLU  72           HN       GLU  72  -3.345 -25.596  25.047
  592    HA   GLU  72           HA       GLU  72  -5.745 -24.712  23.815
  593    HB2  GLU  72           HB2      GLU  72  -3.468 -23.188  25.103
  594    HB3  GLU  72           HB1      GLU  72  -4.984 -22.448  24.586
  595    HG2  GLU  72           HG2      GLU  72  -6.245 -23.913  26.085
  596    HG3  GLU  72           HG1      GLU  72  -4.760 -24.733  26.564
  597    H    LEU  73           HN       LEU  73  -2.301 -24.246  23.092
  598    HA   LEU  73           HA       LEU  73  -2.684 -22.526  20.881
  599    HB2  LEU  73           HB2      LEU  73  -0.502 -22.678  21.921
  600    HB3  LEU  73           HB1      LEU  73  -0.407 -24.403  21.572
  601    HG   LEU  73           HG       LEU  73  -0.347 -23.963  19.167
  602   HD11  LEU  73          HD11      LEU  73  -0.124 -21.454  18.504
  603   HD12  LEU  73          HD12      LEU  73  -0.919 -21.135  20.046
  604   HD13  LEU  73          HD13      LEU  73  -1.733 -22.095  18.817
  605   HD21  LEU  73          HD21      LEU  73   1.556 -21.996  20.448
  606   HD22  LEU  73          HD22      LEU  73   1.819 -22.999  19.024
  607   HD23  LEU  73          HD23      LEU  73   1.748 -23.739  20.624
  608    H    ARG  74           HN       ARG  74  -2.357 -26.034  21.162
  609    HA   ARG  74           HA       ARG  74  -2.375 -26.668  18.434
  610    HB2  ARG  74           HB2      ARG  74  -1.808 -28.464  19.821
  611    HB3  ARG  74           HB1      ARG  74  -3.138 -28.155  20.931
  612    HG2  ARG  74           HG2      ARG  74  -4.738 -29.080  19.458
  613    HG3  ARG  74           HG1      ARG  74  -3.640 -29.005  18.081
  614    HD2  ARG  74           HD2      ARG  74  -3.127 -30.729  20.511
  615    HD3  ARG  74           HD1      ARG  74  -3.972 -31.314  19.080
  616    HE   ARG  74           HE       ARG  74  -1.524 -30.148  18.289
  617   HH11  ARG  74          HH21      ARG  74  -2.840 -32.843  20.004
  618   HH12  ARG  74          HH22      ARG  74  -1.521 -33.903  19.634
  619   HH21  ARG  74          HH11      ARG  74   0.209 -31.527  17.788
  620   HH22  ARG  74          HH12      ARG  74   0.209 -33.156  18.377
  621    H    THR  75           HN       THR  75  -4.998 -26.111  20.722
  622    HA   THR  75           HA       THR  75  -7.130 -26.861  19.093
  623    HB   THR  75           HB       THR  75  -6.975 -24.771  21.209
  624    HG1  THR  75           HG1      THR  75  -8.200 -27.268  21.427
  625   HG21  THR  75          HG21      THR  75  -9.482 -25.176  21.306
  626   HG22  THR  75          HG22      THR  75  -9.306 -25.956  19.735
  627   HG23  THR  75          HG23      THR  75  -8.896 -24.252  19.924
  628    H    GLN  76           HN       GLN  76  -5.445 -23.765  19.401
  629    HA   GLN  76           HA       GLN  76  -7.091 -22.258  17.700
  630    HB2  GLN  76           HB2      GLN  76  -4.121 -22.033  18.236
  631    HB3  GLN  76           HB1      GLN  76  -5.090 -20.799  17.433
  632    HG2  GLN  76           HG2      GLN  76  -5.665 -21.866  20.210
  633    HG3  GLN  76           HG1      GLN  76  -4.768 -20.383  19.890
  634   HE21  GLN  76          HE21      GLN  76  -5.957 -18.521  19.154
  635   HE22  GLN  76          HE22      GLN  76  -7.654 -18.492  19.108
  636    H    LEU  77           HN       LEU  77  -4.055 -23.984  16.976
  637    HA   LEU  77           HA       LEU  77  -4.133 -23.506  14.182
  638    HB2  LEU  77           HB2      LEU  77  -2.673 -25.434  15.966
  639    HB3  LEU  77           HB1      LEU  77  -2.587 -25.644  14.219
  640    HG   LEU  77           HG       LEU  77  -0.725 -24.238  15.188
  641   HD11  LEU  77          HD11      LEU  77  -1.975 -23.940  12.790
  642   HD12  LEU  77          HD12      LEU  77  -0.600 -22.964  13.288
  643   HD13  LEU  77          HD13      LEU  77  -2.234 -22.328  13.456
  644   HD21  LEU  77          HD21      LEU  77  -2.378 -23.169  16.865
  645   HD22  LEU  77          HD22      LEU  77  -2.820 -22.092  15.544
  646   HD23  LEU  77          HD23      LEU  77  -1.160 -22.118  16.141
  647    H    GLU  78           HN       GLU  78  -5.354 -26.112  16.221
  648    HA   GLU  78           HA       GLU  78  -6.115 -27.896  14.192
  649    HB2  GLU  78           HB2      GLU  78  -6.071 -28.419  16.634
  650    HB3  GLU  78           HB1      GLU  78  -7.506 -27.414  16.841
  651    HG2  GLU  78           HG2      GLU  78  -8.246 -29.698  16.644
  652    HG3  GLU  78           HG1      GLU  78  -8.672 -28.885  15.141
  653    H    LYS  79           HN       LYS  79  -7.941 -25.286  15.783
  654    HA   LYS  79           HA       LYS  79 -10.310 -25.647  14.266
  655    HB2  LYS  79           HB2      LYS  79  -9.231 -23.294  15.826
  656    HB3  LYS  79           HB1      LYS  79 -10.816 -23.305  15.052
  657    HG2  LYS  79           HG2      LYS  79 -11.501 -25.233  16.375
  658    HG3  LYS  79           HG1      LYS  79  -9.888 -25.367  17.071
  659    HD2  LYS  79           HD2      LYS  79 -11.169 -24.234  18.721
  660    HD3  LYS  79           HD1      LYS  79 -10.221 -22.975  17.933
  661    HE2  LYS  79           HE2      LYS  79 -12.106 -22.246  16.637
  662    HE3  LYS  79           HE1      LYS  79 -13.050 -23.663  17.091
  663    HZ1  LYS  79           HZ1      LYS  79 -12.164 -21.463  18.871
  664    HZ2  LYS  79           HZ2      LYS  79 -12.915 -22.885  19.416
  665    HZ3  LYS  79           HZ3      LYS  79 -13.754 -21.814  18.399
  666    H    ALA  80           HN       ALA  80  -7.501 -23.524  13.942
  667    HA   ALA  80           HA       ALA  80  -8.450 -22.126  11.674
  668    HB1  ALA  80           HB1      ALA  80  -6.183 -21.319  11.422
  669    HB2  ALA  80           HB2      ALA  80  -5.572 -22.609  12.458
  670    HB3  ALA  80           HB3      ALA  80  -6.587 -21.337  13.139
  671    H    LEU  81           HN       LEU  81  -6.618 -25.089  12.103
  672    HA   LEU  81           HA       LEU  81  -5.823 -25.457   9.430
  673    HB2  LEU  81           HB2      LEU  81  -4.826 -26.784  11.203
  674    HB3  LEU  81           HB1      LEU  81  -6.391 -27.487  11.606
  675    HG   LEU  81           HG       LEU  81  -6.502 -28.603   9.433
  676   HD11  LEU  81          HD11      LEU  81  -5.466 -27.164   7.889
  677   HD12  LEU  81          HD12      LEU  81  -4.295 -28.474   8.028
  678   HD13  LEU  81          HD13      LEU  81  -4.030 -26.958   8.891
  679   HD21  LEU  81          HD21      LEU  81  -5.365 -29.871  11.124
  680   HD22  LEU  81          HD22      LEU  81  -3.880 -28.942  10.911
  681   HD23  LEU  81          HD23      LEU  81  -4.421 -30.042   9.644
  682    H    GLY  82           HN       GLY  82  -8.728 -26.440  11.197
  683    HA2  GLY  82           HA2      GLY  82  -9.899 -27.911   9.066
  684    HA3  GLY  82           HA1      GLY  82 -10.752 -27.272  10.469
  685    H    LEU  83           HN       LEU  83  -9.067 -24.793   9.075
  686    HA   LEU  83           HA       LEU  83  -9.669 -22.938   7.864
  687    HB2  LEU  83           HB2      LEU  83 -11.438 -24.855   6.331
  688    HB3  LEU  83           HB1      LEU  83 -10.803 -23.310   5.768
  689    HG   LEU  83           HG       LEU  83  -9.141 -25.733   6.513
  690   HD11  LEU  83          HD11      LEU  83  -8.732 -25.996   4.160
  691   HD12  LEU  83          HD12      LEU  83  -9.553 -24.479   3.788
  692   HD13  LEU  83          HD13      LEU  83 -10.479 -25.864   4.366
  693   HD21  LEU  83          HD21      LEU  83  -7.749 -23.893   6.972
  694   HD22  LEU  83          HD22      LEU  83  -8.449 -22.914   5.682
  695   HD23  LEU  83          HD23      LEU  83  -7.360 -24.243   5.289
  696    H    GLU  84           HN       GLU  84 -11.050 -23.367  10.264
  697    HA   GLU  84           HA       GLU  84 -13.865 -23.155   9.996
  698    HB2  GLU  84           HB2      GLU  84 -12.719 -23.773  12.112
  699    HB3  GLU  84           HB1      GLU  84 -12.103 -22.125  12.235
  700    HG2  GLU  84           HG2      GLU  84 -14.388 -21.246  12.318
  701    HG3  GLU  84           HG1      GLU  84 -15.039 -22.871  12.114
  702    H    HIS  85           HN       HIS  85 -15.029 -21.522   9.224
  703    HA   HIS  85           HA       HIS  85 -15.495 -19.454   8.297
  704    HB2  HIS  85           HB2      HIS  85 -14.411 -18.764  11.032
  705    HB3  HIS  85           HB1      HIS  85 -15.209 -17.596   9.979
  706    HD2  HIS  85           HD2      HIS  85 -18.012 -17.915   9.752
  707    HE1  HIS  85           HE1      HIS  85 -18.327 -21.158  12.437
  708    HE2  HIS  85           HE2      HIS  85 -19.643 -19.458  11.085
  709    H    HIS  86           HN       HIS  86 -14.045 -19.396   6.568
  710    HA   HIS  86           HA       HIS  86 -11.989 -17.354   6.783
  711    HB2  HIS  86           HB2      HIS  86 -10.739 -19.361   7.432
  712    HB3  HIS  86           HB1      HIS  86 -11.284 -20.186   5.972
  713    HD2  HIS  86           HD2      HIS  86  -9.091 -16.962   6.799
  714    HE1  HIS  86           HE1      HIS  86  -7.939 -18.509   3.043
  715    HE2  HIS  86           HE2      HIS  86  -7.440 -16.734   4.788
  716    H    HIS  87           HN       HIS  87 -11.059 -16.852   4.614
  717    HA   HIS  87           HA       HIS  87 -12.673 -17.754   2.328
  718    HB2  HIS  87           HB2      HIS  87 -12.386 -14.854   3.153
  719    HB3  HIS  87           HB1      HIS  87 -13.058 -15.406   1.619
  720    HD2  HIS  87           HD2      HIS  87 -14.269 -14.711   5.178
  721    HE1  HIS  87           HE1      HIS  87 -17.247 -17.105   3.381
  722    HE2  HIS  87           HE2      HIS  87 -16.701 -15.641   5.383
  723    H    HIS  88           HN       HIS  88 -11.728 -17.237   0.279
  724    HA   HIS  88           HA       HIS  88  -8.927 -17.555   0.186
  725    HB2  HIS  88           HB2      HIS  88 -10.498 -18.224  -1.631
  726    HB3  HIS  88           HB1      HIS  88 -10.745 -16.518  -2.003
  727    HD2  HIS  88           HD2      HIS  88  -8.135 -19.310  -2.668
  728    HE1  HIS  88           HE1      HIS  88  -6.505 -15.708  -4.146
  729    HE2  HIS  88           HE2      HIS  88  -6.214 -18.229  -4.066
  730    H    HIS  89           HN       HIS  89 -10.998 -14.713  -0.259
  731    HA   HIS  89           HA       HIS  89 -10.446 -12.477  -0.593
  732    HB2  HIS  89           HB2      HIS  89 -10.427 -12.884   1.871
  733    HB3  HIS  89           HB1      HIS  89  -8.684 -13.132   1.777
  734    HD2  HIS  89           HD2      HIS  89  -7.281 -10.779   2.105
  735    HE1  HIS  89           HE1      HIS  89 -10.348  -8.089   1.021
  736    HE2  HIS  89           HE2      HIS  89  -7.958  -8.269   1.860
  737    H    HIS  90           HN       HIS  90  -9.325 -12.360  -2.558
  738    HA   HIS  90           HA       HIS  90  -6.596 -13.027  -2.900
  739    HB2  HIS  90           HB2      HIS  90  -6.718 -11.631  -4.941
  740    HB3  HIS  90           HB1      HIS  90  -8.084 -12.737  -4.820
  741    HD2  HIS  90           HD2      HIS  90 -10.576 -11.485  -4.729
  742    HE1  HIS  90           HE1      HIS  90  -9.177  -7.516  -4.400
  743    HE2  HIS  90           HE2      HIS  90 -11.242  -8.960  -4.710
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  -7.474 -13.770  11.397
    2    H2   MET   1           HT2      MET   1  -6.952 -15.108  12.304
    3    H3   MET   1           HT3      MET   1  -5.989 -14.507  11.039
    4    HA   MET   1           HA       MET   1  -4.894 -13.399  12.616
    5    HB2  MET   1           HB2      MET   1  -7.504 -11.864  12.494
    6    HB3  MET   1           HB1      MET   1  -6.053 -11.258  13.293
    7    HG2  MET   1           HG2      MET   1  -4.802 -11.445  11.176
    8    HG3  MET   1           HG1      MET   1  -6.249 -12.056  10.374
    9    HE1  MET   1           HE1      MET   1  -4.984 -10.171   9.009
   10    HE2  MET   1           HE2      MET   1  -5.711  -8.571   8.885
   11    HE3  MET   1           HE3      MET   1  -6.668  -9.998   8.495
   12    H    GLY   2           HN       GLY   2  -4.687 -12.802  14.885
   13    HA2  GLY   2           HA2      GLY   2  -5.133 -12.982  17.156
   14    HA3  GLY   2           HA1      GLY   2  -6.747 -13.566  16.759
   15    H    VAL   3           HN       VAL   3  -4.258 -15.196  15.109
   16    HA   VAL   3           HA       VAL   3  -4.577 -17.555  16.870
   17    HB   VAL   3           HB       VAL   3  -3.702 -18.799  14.863
   18   HG11  VAL   3          HG11      VAL   3  -6.120 -18.598  15.373
   19   HG12  VAL   3          HG12      VAL   3  -5.826 -18.639  13.634
   20   HG13  VAL   3          HG13      VAL   3  -6.184 -17.107  14.433
   21   HG21  VAL   3          HG21      VAL   3  -2.609 -16.715  13.882
   22   HG22  VAL   3          HG22      VAL   3  -4.226 -16.186  13.419
   23   HG23  VAL   3          HG23      VAL   3  -3.558 -17.671  12.743
   24    H    TRP   4           HN       TRP   4  -2.530 -15.068  16.545
   25    HA   TRP   4           HA       TRP   4  -0.001 -16.486  16.513
   26    HB2  TRP   4           HB2      TRP   4   0.693 -13.994  17.305
   27    HB3  TRP   4           HB1      TRP   4   0.355 -14.388  15.621
   28    HD1  TRP   4           HD1      TRP   4  -1.744 -13.339  18.710
   29    HE1  TRP   4           HE1      TRP   4  -3.542 -11.673  17.917
   30    HE3  TRP   4           HE3      TRP   4  -0.682 -13.209  13.718
   31    HZ2  TRP   4           HZ2      TRP   4  -4.416 -10.446  15.485
   32    HZ3  TRP   4           HZ3      TRP   4  -2.011 -11.783  12.187
   33    HH2  TRP   4           HH2      TRP   4  -3.875 -10.402  13.063
   34    H    THR   5           HN       THR   5   1.387 -16.773  18.236
   35    HA   THR   5           HA       THR   5   0.687 -15.890  20.901
   36    HB   THR   5           HB       THR   5   0.874 -18.871  20.482
   37    HG1  THR   5           HG1      THR   5  -0.970 -18.498  19.461
   38   HG21  THR   5          HG21      THR   5   1.257 -17.743  22.738
   39   HG22  THR   5          HG22      THR   5  -0.000 -18.981  22.701
   40   HG23  THR   5          HG23      THR   5  -0.441 -17.274  22.680
   41    HA   PRO   6           HA       PRO   6   5.194 -16.858  19.704
   42    HB2  PRO   6           HB2      PRO   6   6.066 -14.248  19.622
   43    HB3  PRO   6           HB1      PRO   6   5.433 -15.111  18.208
   44    HG2  PRO   6           HG2      PRO   6   4.024 -13.204  20.027
   45    HG3  PRO   6           HG1      PRO   6   4.006 -13.288  18.257
   46    HD2  PRO   6           HD2      PRO   6   1.981 -14.311  19.716
   47    HD3  PRO   6           HD1      PRO   6   2.534 -15.099  18.219
   48    H    GLU   7           HN       GLU   7   7.163 -15.755  20.963
   49    HA   GLU   7           HA       GLU   7   7.032 -16.392  23.619
   50    HB2  GLU   7           HB2      GLU   7   9.020 -15.011  23.948
   51    HB3  GLU   7           HB1      GLU   7   9.126 -15.862  22.407
   52    HG2  GLU   7           HG2      GLU   7   8.235 -13.816  21.274
   53    HG3  GLU   7           HG1      GLU   7   8.300 -12.973  22.820
   54    H    VAL   8           HN       VAL   8   5.586 -13.701  22.081
   55    HA   VAL   8           HA       VAL   8   5.544 -11.733  24.025
   56    HB   VAL   8           HB       VAL   8   4.512 -11.638  21.695
   57   HG11  VAL   8          HG11      VAL   8   3.127 -13.751  22.121
   58   HG12  VAL   8          HG12      VAL   8   2.278 -12.404  21.369
   59   HG13  VAL   8          HG13      VAL   8   2.063 -12.734  23.087
   60   HG21  VAL   8          HG21      VAL   8   4.230  -9.813  23.299
   61   HG22  VAL   8          HG22      VAL   8   2.899 -10.670  24.076
   62   HG23  VAL   8          HG23      VAL   8   2.718 -10.067  22.428
   63    H    LEU   9           HN       LEU   9   3.487 -14.607  23.720
   64    HA   LEU   9           HA       LEU   9   1.792 -14.047  25.899
   65    HB2  LEU   9           HB2      LEU   9   1.224 -15.773  24.272
   66    HB3  LEU   9           HB1      LEU   9   2.651 -16.703  24.717
   67    HG   LEU   9           HG       LEU   9   1.766 -17.045  26.980
   68   HD11  LEU   9          HD11      LEU   9   0.531 -15.123  27.520
   69   HD12  LEU   9          HD12      LEU   9  -0.736 -16.320  27.265
   70   HD13  LEU   9          HD13      LEU   9  -0.365 -15.149  26.000
   71   HD21  LEU   9          HD21      LEU   9  -0.007 -18.556  26.423
   72   HD22  LEU   9          HD22      LEU   9   1.085 -18.535  25.038
   73   HD23  LEU   9          HD23      LEU   9  -0.430 -17.632  24.983
   74    H    LYS  10           HN       LYS  10   4.828 -15.859  25.666
   75    HA   LYS  10           HA       LYS  10   4.936 -16.653  28.382
   76    HB2  LYS  10           HB2      LYS  10   6.288 -17.664  26.547
   77    HB3  LYS  10           HB1      LYS  10   7.255 -16.191  26.492
   78    HG2  LYS  10           HG2      LYS  10   7.892 -16.500  28.844
   79    HG3  LYS  10           HG1      LYS  10   6.905 -17.959  28.933
   80    HD2  LYS  10           HD2      LYS  10   9.241 -17.566  27.036
   81    HD3  LYS  10           HD1      LYS  10   9.320 -18.460  28.554
   82    HE2  LYS  10           HE2      LYS  10   8.877 -20.219  27.117
   83    HE3  LYS  10           HE1      LYS  10   7.216 -19.739  27.461
   84    HZ1  LYS  10           HZ1      LYS  10   8.408 -18.214  25.343
   85    HZ2  LYS  10           HZ2      LYS  10   6.926 -19.043  25.384
   86    HZ3  LYS  10           HZ3      LYS  10   8.355 -19.874  25.001
   87    H    ALA  11           HN       ALA  11   5.898 -13.748  26.681
   88    HA   ALA  11           HA       ALA  11   7.600 -12.590  28.562
   89    HB1  ALA  11           HB1      ALA  11   7.043 -11.726  26.238
   90    HB2  ALA  11           HB2      ALA  11   7.131 -10.499  27.501
   91    HB3  ALA  11           HB3      ALA  11   5.562 -11.068  26.931
   92    H    ARG  12           HN       ARG  12   4.059 -12.489  28.329
   93    HA   ARG  12           HA       ARG  12   3.640 -10.773  30.545
   94    HB2  ARG  12           HB2      ARG  12   1.939 -12.715  29.003
   95    HB3  ARG  12           HB1      ARG  12   1.320 -12.074  30.523
   96    HG2  ARG  12           HG2      ARG  12   0.541 -10.637  28.745
   97    HG3  ARG  12           HG1      ARG  12   1.777  -9.752  29.638
   98    HD2  ARG  12           HD2      ARG  12   3.450 -10.341  27.950
   99    HD3  ARG  12           HD1      ARG  12   2.256 -11.299  27.078
  100    HE   ARG  12           HE       ARG  12   1.097  -8.849  27.181
  101   HH11  ARG  12          HH21      ARG  12   4.238  -9.994  26.297
  102   HH12  ARG  12          HH22      ARG  12   4.517  -8.744  25.130
  103   HH21  ARG  12          HH11      ARG  12   1.453  -7.206  25.657
  104   HH22  ARG  12          HH12      ARG  12   2.939  -7.164  24.768
  105    H    ALA  13           HN       ALA  13   3.717 -14.312  30.244
  106    HA   ALA  13           HA       ALA  13   3.121 -14.856  32.964
  107    HB1  ALA  13           HB1      ALA  13   3.028 -16.484  31.009
  108    HB2  ALA  13           HB2      ALA  13   3.763 -17.102  32.488
  109    HB3  ALA  13           HB3      ALA  13   4.783 -16.599  31.140
  110    H    SER  14           HN       SER  14   6.131 -14.376  31.189
  111    HA   SER  14           HA       SER  14   7.740 -14.757  33.607
  112    HB2  SER  14           HB2      SER  14   8.541 -15.714  31.486
  113    HB3  SER  14           HB1      SER  14   8.546 -14.109  30.759
  114    HG   SER  14           HG       SER  14  10.470 -15.243  32.125
  115    H    VAL  15           HN       VAL  15   5.930 -12.336  32.403
  116    HA   VAL  15           HA       VAL  15   5.812 -10.083  32.821
  117    HB   VAL  15           HB       VAL  15   8.302 -10.370  34.503
  118   HG11  VAL  15          HG11      VAL  15   5.894  -8.569  34.809
  119   HG12  VAL  15          HG12      VAL  15   7.356  -8.092  33.945
  120   HG13  VAL  15          HG13      VAL  15   7.429  -8.463  35.669
  121   HG21  VAL  15          HG21      VAL  15   6.574 -10.705  36.378
  122   HG22  VAL  15          HG22      VAL  15   6.868 -12.091  35.329
  123   HG23  VAL  15          HG23      VAL  15   5.427 -11.101  35.099
  124    H    ILE  16           HN       ILE  16   9.132 -11.229  32.296
  125    HA   ILE  16           HA       ILE  16   9.503  -9.091  30.287
  126    HB   ILE  16           HB       ILE  16  11.848  -8.895  31.034
  127   HG12  ILE  16          HG12      ILE  16  10.963 -10.627  33.367
  128   HG13  ILE  16          HG11      ILE  16  11.988 -11.193  32.048
  129   HG21  ILE  16          HG21      ILE  16  11.378  -7.536  32.943
  130   HG22  ILE  16          HG22      ILE  16   9.972  -8.509  33.375
  131   HG23  ILE  16          HG23      ILE  16   9.925  -7.480  31.944
  132   HD11  ILE  16          HD11      ILE  16  12.615  -9.016  34.054
  133   HD12  ILE  16          HD12      ILE  16  13.575  -9.295  32.602
  134   HD13  ILE  16          HD13      ILE  16  13.459 -10.550  33.836
  135    H    GLY  17           HN       GLY  17  11.067  -9.593  28.638
  136    HA2  GLY  17           HA2      GLY  17  10.813 -12.244  27.641
  137    HA3  GLY  17           HA1      GLY  17  11.845 -10.984  26.973
  138    H    LYS  18           HN       LYS  18  12.074 -13.986  27.883
  139    HA   LYS  18           HA       LYS  18  14.860 -13.926  28.401
  140    HB2  LYS  18           HB2      LYS  18  13.845 -13.191  30.651
  141    HB3  LYS  18           HB1      LYS  18  13.257 -14.848  30.787
  142    HG2  LYS  18           HG2      LYS  18  15.549 -15.701  30.564
  143    HG3  LYS  18           HG1      LYS  18  16.156 -14.056  30.371
  144    HD2  LYS  18           HD2      LYS  18  15.168 -13.518  32.633
  145    HD3  LYS  18           HD1      LYS  18  14.829 -15.239  32.822
  146    HE2  LYS  18           HE2      LYS  18  17.566 -14.024  32.345
  147    HE3  LYS  18           HE1      LYS  18  16.975 -14.651  33.883
  148    HZ1  LYS  18           HZ1      LYS  18  16.905 -16.819  33.048
  149    HZ2  LYS  18           HZ2      LYS  18  18.380 -16.196  32.479
  150    HZ3  LYS  18           HZ3      LYS  18  17.044 -16.311  31.436
  151    HA   PRO  19           HA       PRO  19  12.630 -17.906  27.109
  152    HB2  PRO  19           HB2      PRO  19  13.526 -17.972  24.511
  153    HB3  PRO  19           HB1      PRO  19  12.012 -17.183  25.004
  154    HG2  PRO  19           HG2      PRO  19  14.690 -15.967  24.491
  155    HG3  PRO  19           HG1      PRO  19  13.084 -15.395  24.008
  156    HD2  PRO  19           HD2      PRO  19  14.400 -14.344  26.141
  157    HD3  PRO  19           HD1      PRO  19  12.628 -14.487  26.107
  158    H    ILE  20           HN       ILE  20  13.653 -19.910  27.096
  159    HA   ILE  20           HA       ILE  20  16.528 -19.885  27.602
  160    HB   ILE  20           HB       ILE  20  14.614 -21.218  28.851
  161   HG12  ILE  20          HG12      ILE  20  16.903 -21.276  29.579
  162   HG13  ILE  20          HG11      ILE  20  16.339 -22.940  29.470
  163   HG21  ILE  20          HG21      ILE  20  15.447 -23.275  26.784
  164   HG22  ILE  20          HG22      ILE  20  13.912 -22.411  26.743
  165   HG23  ILE  20          HG23      ILE  20  14.290 -23.475  28.097
  166   HD11  ILE  20          HD11      ILE  20  18.440 -23.044  28.436
  167   HD12  ILE  20          HD12      ILE  20  18.243 -21.478  27.656
  168   HD13  ILE  20          HD13      ILE  20  17.360 -22.881  27.058
  169    H    GLY  21           HN       GLY  21  18.023 -20.367  26.123
  170    HA2  GLY  21           HA2      GLY  21  17.284 -20.986  23.435
  171    HA3  GLY  21           HA1      GLY  21  18.926 -20.919  24.071
  172    H    GLU  22           HN       GLU  22  16.713 -22.943  22.711
  173    HA   GLU  22           HA       GLU  22  18.232 -25.268  23.010
  174    HB2  GLU  22           HB2      GLU  22  16.552 -24.734  25.300
  175    HB3  GLU  22           HB1      GLU  22  15.929 -26.165  24.487
  176    HG2  GLU  22           HG2      GLU  22  18.841 -25.789  25.255
  177    HG3  GLU  22           HG1      GLU  22  17.667 -26.683  26.220
  178    H    SER  23           HN       SER  23  16.472 -27.290  22.724
  179    HA   SER  23           HA       SER  23  15.547 -26.999  20.084
  180    HB2  SER  23           HB2      SER  23  14.415 -29.166  20.465
  181    HB3  SER  23           HB1      SER  23  16.074 -29.181  21.058
  182    HG   SER  23           HG       SER  23  14.900 -28.403  23.108
  183    H    TYR  24           HN       TYR  24  13.961 -26.572  23.191
  184    HA   TYR  24           HA       TYR  24  11.292 -26.443  22.277
  185    HB2  TYR  24           HB2      TYR  24  11.819 -26.659  24.656
  186    HB3  TYR  24           HB1      TYR  24  12.583 -25.069  24.650
  187    HD1  TYR  24           HD1      TYR  24   9.357 -26.856  24.174
  188    HD2  TYR  24           HD2      TYR  24  11.282 -23.063  24.773
  189    HE1  TYR  24           HE1      TYR  24   7.149 -25.798  24.561
  190    HE2  TYR  24           HE2      TYR  24   9.074 -22.004  25.162
  191    HH   TYR  24           HH       TYR  24   6.249 -23.268  24.279
  192    H    LYS  25           HN       LYS  25  13.835 -24.004  22.567
  193    HA   LYS  25           HA       LYS  25  12.214 -21.774  21.884
  194    HB2  LYS  25           HB2      LYS  25  14.425 -21.579  22.989
  195    HB3  LYS  25           HB1      LYS  25  15.196 -22.130  21.506
  196    HG2  LYS  25           HG2      LYS  25  14.312 -20.199  20.293
  197    HG3  LYS  25           HG1      LYS  25  13.443 -19.665  21.732
  198    HD2  LYS  25           HD2      LYS  25  15.592 -19.406  22.925
  199    HD3  LYS  25           HD1      LYS  25  16.454 -19.926  21.477
  200    HE2  LYS  25           HE2      LYS  25  16.460 -17.489  21.575
  201    HE3  LYS  25           HE1      LYS  25  15.440 -18.012  20.235
  202    HZ1  LYS  25           HZ1      LYS  25  14.416 -17.348  22.940
  203    HZ2  LYS  25           HZ2      LYS  25  13.498 -17.669  21.546
  204    HZ3  LYS  25           HZ3      LYS  25  14.438 -16.258  21.642
  205    H    ARG  26           HN       ARG  26  13.540 -24.350  20.042
  206    HA   ARG  26           HA       ARG  26  13.884 -23.081  17.559
  207    HB2  ARG  26           HB2      ARG  26  14.466 -25.528  18.461
  208    HB3  ARG  26           HB1      ARG  26  12.944 -25.927  17.667
  209    HG2  ARG  26           HG2      ARG  26  15.309 -24.536  16.365
  210    HG3  ARG  26           HG1      ARG  26  14.848 -26.222  16.128
  211    HD2  ARG  26           HD2      ARG  26  13.817 -25.251  14.288
  212    HD3  ARG  26           HD1      ARG  26  12.504 -25.136  15.460
  213    HE   ARG  26           HE       ARG  26  13.825 -22.794  15.826
  214   HH11  ARG  26          HH21      ARG  26  12.714 -24.495  13.030
  215   HH12  ARG  26          HH22      ARG  26  12.420 -23.061  12.105
  216   HH21  ARG  26          HH11      ARG  26  13.435 -20.907  14.626
  217   HH22  ARG  26          HH12      ARG  26  12.822 -21.028  13.011
  218    H    ILE  27           HN       ILE  27  11.121 -24.839  18.933
  219    HA   ILE  27           HA       ILE  27   9.442 -24.372  16.688
  220    HB   ILE  27           HB       ILE  27   7.604 -25.061  18.313
  221   HG12  ILE  27          HG12      ILE  27   9.983 -25.642  20.093
  222   HG13  ILE  27          HG11      ILE  27   8.895 -24.276  20.340
  223   HG21  ILE  27          HG21      ILE  27  10.031 -26.847  17.965
  224   HG22  ILE  27          HG22      ILE  27   8.704 -26.663  16.817
  225   HG23  ILE  27          HG23      ILE  27   8.414 -27.407  18.389
  226   HD11  ILE  27          HD11      ILE  27   8.013 -27.172  20.246
  227   HD12  ILE  27          HD12      ILE  27   7.002 -25.777  20.623
  228   HD13  ILE  27          HD13      ILE  27   8.289 -26.259  21.730
  229    H    LEU  28           HN       LEU  28   9.965 -22.757  19.763
  230    HA   LEU  28           HA       LEU  28   7.802 -20.967  19.651
  231    HB2  LEU  28           HB2      LEU  28   9.202 -21.396  21.671
  232    HB3  LEU  28           HB1      LEU  28  10.520 -20.515  20.902
  233    HG   LEU  28           HG       LEU  28   9.058 -18.503  20.758
  234   HD11  LEU  28          HD11      LEU  28   7.016 -18.718  22.449
  235   HD12  LEU  28          HD12      LEU  28   7.099 -20.421  21.994
  236   HD13  LEU  28          HD13      LEU  28   6.836 -19.187  20.761
  237   HD21  LEU  28          HD21      LEU  28  10.571 -18.652  22.626
  238   HD22  LEU  28          HD22      LEU  28   9.497 -19.763  23.477
  239   HD23  LEU  28          HD23      LEU  28   9.026 -18.079  23.256
  240    H    ALA  29           HN       ALA  29  11.124 -20.725  18.437
  241    HA   ALA  29           HA       ALA  29  10.951 -18.043  17.551
  242    HB1  ALA  29           HB1      ALA  29  12.672 -20.312  16.521
  243    HB2  ALA  29           HB2      ALA  29  13.096 -19.192  17.816
  244    HB3  ALA  29           HB3      ALA  29  12.916 -18.601  16.164
  245    H    LYS  30           HN       LYS  30  10.288 -21.134  15.959
  246    HA   LYS  30           HA       LYS  30   9.741 -20.068  13.388
  247    HB2  LYS  30           HB2      LYS  30  10.235 -22.464  13.844
  248    HB3  LYS  30           HB1      LYS  30   8.655 -22.609  14.616
  249    HG2  LYS  30           HG2      LYS  30   7.533 -21.977  12.554
  250    HG3  LYS  30           HG1      LYS  30   9.080 -21.685  11.759
  251    HD2  LYS  30           HD2      LYS  30   8.171 -24.364  12.859
  252    HD3  LYS  30           HD1      LYS  30   8.116 -23.890  11.162
  253    HE2  LYS  30           HE2      LYS  30  10.164 -24.953  11.149
  254    HE3  LYS  30           HE1      LYS  30  10.714 -23.353  11.644
  255    HZ1  LYS  30           HZ1      LYS  30  11.252 -25.556  13.004
  256    HZ2  LYS  30           HZ2      LYS  30   9.795 -25.128  13.764
  257    HZ3  LYS  30           HZ3      LYS  30  11.100 -24.039  13.745
  258    H    LEU  31           HN       LEU  31   7.811 -20.542  16.274
  259    HA   LEU  31           HA       LEU  31   5.259 -20.275  15.164
  260    HB2  LEU  31           HB2      LEU  31   5.600 -20.973  17.488
  261    HB3  LEU  31           HB1      LEU  31   6.262 -19.390  17.883
  262    HG   LEU  31           HG       LEU  31   4.118 -18.324  17.368
  263   HD11  LEU  31          HD11      LEU  31   3.110 -19.562  15.658
  264   HD12  LEU  31          HD12      LEU  31   2.144 -20.031  17.051
  265   HD13  LEU  31          HD13      LEU  31   3.408 -21.108  16.456
  266   HD21  LEU  31          HD21      LEU  31   4.575 -19.309  19.641
  267   HD22  LEU  31          HD22      LEU  31   3.668 -20.738  19.142
  268   HD23  LEU  31          HD23      LEU  31   2.861 -19.174  19.247
  269    H    GLN  32           HN       GLN  32   7.618 -17.861  16.192
  270    HA   GLN  32           HA       GLN  32   6.024 -15.577  16.007
  271    HB2  GLN  32           HB2      GLN  32   8.492 -15.873  16.808
  272    HB3  GLN  32           HB1      GLN  32   8.906 -15.564  15.122
  273    HG2  GLN  32           HG2      GLN  32   7.213 -13.750  16.870
  274    HG3  GLN  32           HG1      GLN  32   8.906 -13.477  16.460
  275   HE21  GLN  32          HE21      GLN  32   5.977 -12.332  15.629
  276   HE22  GLN  32          HE22      GLN  32   6.217 -12.026  13.977
  277    H    ARG  33           HN       ARG  33   7.745 -17.381  13.503
  278    HA   ARG  33           HA       ARG  33   7.392 -15.550  11.389
  279    HB2  ARG  33           HB2      ARG  33   8.912 -17.520  11.303
  280    HB3  ARG  33           HB1      ARG  33   7.498 -18.571  11.220
  281    HG2  ARG  33           HG2      ARG  33   6.777 -17.426   9.142
  282    HG3  ARG  33           HG1      ARG  33   8.213 -16.406   9.220
  283    HD2  ARG  33           HD2      ARG  33   9.593 -18.526   9.191
  284    HD3  ARG  33           HD1      ARG  33   8.103 -19.405   8.859
  285    HE   ARG  33           HE       ARG  33   8.222 -17.393   6.960
  286   HH11  ARG  33          HH21      ARG  33  10.181 -20.047   8.002
  287   HH12  ARG  33          HH22      ARG  33  10.842 -20.356   6.432
  288   HH21  ARG  33          HH11      ARG  33   9.084 -17.789   4.898
  289   HH22  ARG  33          HH12      ARG  33  10.221 -19.077   4.673
  290    H    ILE  34           HN       ILE  34   5.364 -18.215  12.569
  291    HA   ILE  34           HA       ILE  34   3.431 -18.330  10.613
  292    HB   ILE  34           HB       ILE  34   2.955 -18.445  13.601
  293   HG12  ILE  34          HG12      ILE  34   4.772 -19.982  12.491
  294   HG13  ILE  34          HG11      ILE  34   3.588 -20.702  13.575
  295   HG21  ILE  34          HG21      ILE  34   1.124 -20.084  12.758
  296   HG22  ILE  34          HG22      ILE  34   1.332 -19.273  11.206
  297   HG23  ILE  34          HG23      ILE  34   0.831 -18.351  12.623
  298   HD11  ILE  34          HD11      ILE  34   4.059 -21.848  11.278
  299   HD12  ILE  34          HD12      ILE  34   3.036 -20.578  10.617
  300   HD13  ILE  34          HD13      ILE  34   2.389 -21.690  11.818
  301    H    HIS  35           HN       HIS  35   4.027 -15.802  12.925
  302    HA   HIS  35           HA       HIS  35   1.535 -14.504  12.915
  303    HB2  HIS  35           HB2      HIS  35   3.427 -13.937  14.425
  304    HB3  HIS  35           HB1      HIS  35   4.281 -13.237  13.050
  305    HD2  HIS  35           HD2      HIS  35   1.524 -12.257  15.576
  306    HE1  HIS  35           HE1      HIS  35   1.663  -9.206  12.662
  307    HE2  HIS  35           HE2      HIS  35   0.709  -9.865  14.922
  308    H    ASN  36           HN       ASN  36   4.389 -14.004  10.834
  309    HA   ASN  36           HA       ASN  36   2.942 -12.197   9.086
  310    HB2  ASN  36           HB2      ASN  36   5.330 -11.848   9.492
  311    HB3  ASN  36           HB1      ASN  36   5.690 -13.433   8.813
  312   HD21  ASN  36          HD21      ASN  36   6.933 -12.500   7.029
  313   HD22  ASN  36          HD22      ASN  36   6.163 -11.672   5.763
  314    H    SER  37           HN       SER  37   3.975 -15.563   9.094
  315    HA   SER  37           HA       SER  37   3.014 -16.027   6.382
  316    HB2  SER  37           HB2      SER  37   4.566 -17.557   8.421
  317    HB3  SER  37           HB1      SER  37   3.662 -18.479   7.232
  318    HG   SER  37           HG       SER  37   5.305 -18.061   5.990
  319    H    ASN  38           HN       ASN  38   1.311 -15.350   8.896
  320    HA   ASN  38           HA       ASN  38  -0.229 -17.426   9.782
  321    HB2  ASN  38           HB2      ASN  38  -2.072 -15.836  10.021
  322    HB3  ASN  38           HB1      ASN  38  -0.547 -15.068  10.463
  323   HD21  ASN  38          HD21      ASN  38  -2.855 -13.562   9.573
  324   HD22  ASN  38          HD22      ASN  38  -2.453 -12.839   8.091
  325    H    ILE  39           HN       ILE  39  -1.295 -18.987   8.796
  326    HA   ILE  39           HA       ILE  39  -2.196 -20.225   7.055
  327    HB   ILE  39           HB       ILE  39  -3.902 -17.742   6.826
  328   HG12  ILE  39          HG12      ILE  39  -4.256 -20.121   8.633
  329   HG13  ILE  39          HG11      ILE  39  -3.608 -18.578   9.176
  330   HG21  ILE  39          HG21      ILE  39  -4.456 -20.673   6.295
  331   HG22  ILE  39          HG22      ILE  39  -4.268 -19.430   5.059
  332   HG23  ILE  39          HG23      ILE  39  -5.639 -19.373   6.164
  333   HD11  ILE  39          HD11      ILE  39  -5.964 -18.563   9.669
  334   HD12  ILE  39          HD12      ILE  39  -6.362 -19.117   8.042
  335   HD13  ILE  39          HD13      ILE  39  -5.714 -17.496   8.288
  336    H    LEU  40           HN       LEU  40  -0.102 -19.820   5.837
  337    HA   LEU  40           HA       LEU  40  -0.600 -18.221   3.383
  338    HB2  LEU  40           HB2      LEU  40   1.351 -17.499   4.800
  339    HB3  LEU  40           HB1      LEU  40   2.072 -19.077   4.506
  340    HG   LEU  40           HG       LEU  40   1.942 -18.640   2.047
  341   HD11  LEU  40          HD11      LEU  40   0.318 -17.052   1.617
  342   HD12  LEU  40          HD12      LEU  40   1.734 -16.007   1.627
  343   HD13  LEU  40          HD13      LEU  40   0.699 -16.101   3.053
  344   HD21  LEU  40          HD21      LEU  40   4.005 -18.204   3.340
  345   HD22  LEU  40          HD22      LEU  40   3.448 -16.563   3.667
  346   HD23  LEU  40          HD23      LEU  40   3.827 -17.052   2.015
  347    H    ASP  41           HN       ASP  41  -0.721 -19.288   1.514
  348    HA   ASP  41           HA       ASP  41  -1.099 -21.929   1.158
  349    HB2  ASP  41           HB2      ASP  41  -1.335 -20.281  -0.643
  350    HB3  ASP  41           HB1      ASP  41   0.418 -20.145  -0.749
  351    H    GLU  42           HN       GLU  42   2.061 -20.354   1.257
  352    HA   GLU  42           HA       GLU  42   3.504 -22.776   0.733
  353    HB2  GLU  42           HB2      GLU  42   4.333 -20.448   0.251
  354    HB3  GLU  42           HB1      GLU  42   4.542 -20.233   1.988
  355    HG2  GLU  42           HG2      GLU  42   6.668 -20.941   1.109
  356    HG3  GLU  42           HG1      GLU  42   5.986 -22.313   1.980
  357    H    ARG  43           HN       ARG  43   2.706 -20.907   3.640
  358    HA   ARG  43           HA       ARG  43   4.154 -22.669   5.395
  359    HB2  ARG  43           HB2      ARG  43   3.674 -20.184   5.768
  360    HB3  ARG  43           HB1      ARG  43   2.037 -20.669   6.196
  361    HG2  ARG  43           HG2      ARG  43   3.020 -20.691   8.298
  362    HG3  ARG  43           HG1      ARG  43   3.301 -22.359   7.817
  363    HD2  ARG  43           HD2      ARG  43   5.314 -20.141   7.350
  364    HD3  ARG  43           HD1      ARG  43   5.315 -21.162   8.782
  365    HE   ARG  43           HE       ARG  43   5.327 -22.967   6.749
  366   HH11  ARG  43          HH21      ARG  43   7.180 -20.148   7.500
  367   HH12  ARG  43          HH22      ARG  43   8.634 -20.739   6.768
  368   HH21  ARG  43          HH11      ARG  43   7.224 -23.748   5.782
  369   HH22  ARG  43          HH12      ARG  43   8.659 -22.779   5.795
  370    H    GLN  44           HN       GLN  44   1.021 -22.673   3.984
  371    HA   GLN  44           HA       GLN  44  -0.596 -23.904   5.832
  372    HB2  GLN  44           HB2      GLN  44  -0.343 -24.216   2.853
  373    HB3  GLN  44           HB1      GLN  44  -1.474 -25.236   3.740
  374    HG2  GLN  44           HG2      GLN  44  -2.550 -23.228   4.682
  375    HG3  GLN  44           HG1      GLN  44  -1.428 -22.204   3.793
  376   HE21  GLN  44          HE21      GLN  44  -3.808 -21.520   2.993
  377   HE22  GLN  44          HE22      GLN  44  -4.323 -22.303   1.578
  378    H    GLY  45           HN       GLY  45   2.103 -25.291   4.056
  379    HA2  GLY  45           HA2      GLY  45   1.571 -28.004   4.777
  380    HA3  GLY  45           HA1      GLY  45   3.096 -27.369   4.163
  381    H    LEU  46           HN       LEU  46   3.808 -25.517   6.015
  382    HA   LEU  46           HA       LEU  46   4.839 -27.110   8.095
  383    HB2  LEU  46           HB2      LEU  46   5.629 -24.774   7.069
  384    HB3  LEU  46           HB1      LEU  46   4.677 -24.124   8.398
  385    HG   LEU  46           HG       LEU  46   6.967 -24.375   9.158
  386   HD11  LEU  46          HD11      LEU  46   4.968 -25.073  10.639
  387   HD12  LEU  46          HD12      LEU  46   6.577 -25.568  11.154
  388   HD13  LEU  46          HD13      LEU  46   5.523 -26.727  10.364
  389   HD21  LEU  46          HD21      LEU  46   7.049 -27.342   8.938
  390   HD22  LEU  46          HD22      LEU  46   8.324 -26.151   8.691
  391   HD23  LEU  46          HD23      LEU  46   7.170 -26.481   7.403
  392    H    MET  47           HN       MET  47   2.198 -24.761   7.977
  393    HA   MET  47           HA       MET  47   1.530 -24.642  10.662
  394    HB2  MET  47           HB2      MET  47   0.495 -23.258   8.893
  395    HB3  MET  47           HB1      MET  47  -0.379 -24.675   8.311
  396    HG2  MET  47           HG2      MET  47  -1.509 -24.897  10.476
  397    HG3  MET  47           HG1      MET  47  -0.587 -23.534  11.105
  398    HE1  MET  47           HE1      MET  47  -2.713 -24.490   7.903
  399    HE2  MET  47           HE2      MET  47  -4.160 -23.566   8.297
  400    HE3  MET  47           HE3      MET  47  -3.589 -24.809   9.406
  401    H    HIS  48           HN       HIS  48   0.509 -27.018   8.220
  402    HA   HIS  48           HA       HIS  48  -1.176 -28.505   9.954
  403    HB2  HIS  48           HB2      HIS  48   0.252 -29.270   7.400
  404    HB3  HIS  48           HB1      HIS  48  -0.928 -30.295   8.217
  405    HD2  HIS  48           HD2      HIS  48  -2.019 -26.653   8.479
  406    HE1  HIS  48           HE1      HIS  48  -4.009 -28.203   5.093
  407    HE2  HIS  48           HE2      HIS  48  -3.892 -26.244   6.705
  408    H    GLU  49           HN       GLU  49   2.229 -28.829   9.016
  409    HA   GLU  49           HA       GLU  49   2.686 -31.238  10.460
  410    HB2  GLU  49           HB2      GLU  49   4.579 -29.110   9.454
  411    HB3  GLU  49           HB1      GLU  49   5.102 -30.629  10.185
  412    HG2  GLU  49           HG2      GLU  49   3.926 -31.902   8.466
  413    HG3  GLU  49           HG1      GLU  49   3.300 -30.414   7.760
  414    H    LEU  50           HN       LEU  50   2.832 -27.838  11.250
  415    HA   LEU  50           HA       LEU  50   4.279 -28.009  13.646
  416    HB2  LEU  50           HB2      LEU  50   3.578 -25.913  12.278
  417    HB3  LEU  50           HB1      LEU  50   2.086 -25.994  13.208
  418    HG   LEU  50           HG       LEU  50   3.712 -26.163  15.281
  419   HD11  LEU  50          HD11      LEU  50   5.465 -24.873  13.166
  420   HD12  LEU  50          HD12      LEU  50   5.809 -26.362  14.043
  421   HD13  LEU  50          HD13      LEU  50   5.791 -24.822  14.896
  422   HD21  LEU  50          HD21      LEU  50   3.874 -23.592  15.262
  423   HD22  LEU  50          HD22      LEU  50   2.264 -24.292  15.118
  424   HD23  LEU  50          HD23      LEU  50   3.087 -23.675  13.685
  425    H    MET  51           HN       MET  51   0.838 -28.341  12.942
  426    HA   MET  51           HA       MET  51  -0.148 -28.314  15.561
  427    HB2  MET  51           HB2      MET  51  -1.553 -28.204  13.520
  428    HB3  MET  51           HB1      MET  51  -1.183 -29.896  13.196
  429    HG2  MET  51           HG2      MET  51  -2.220 -30.561  15.314
  430    HG3  MET  51           HG1      MET  51  -2.531 -28.871  15.711
  431    HE1  MET  51           HE1      MET  51  -2.826 -31.552  13.090
  432    HE2  MET  51           HE2      MET  51  -4.514 -31.533  12.585
  433    HE3  MET  51           HE3      MET  51  -4.097 -32.038  14.221
  434    H    GLU  52           HN       GLU  52   0.723 -31.113  13.531
  435    HA   GLU  52           HA       GLU  52   0.358 -32.992  15.654
  436    HB2  GLU  52           HB2      GLU  52   1.365 -34.608  14.099
  437    HB3  GLU  52           HB1      GLU  52   0.120 -33.646  13.302
  438    HG2  GLU  52           HG2      GLU  52   1.903 -32.136  12.436
  439    HG3  GLU  52           HG1      GLU  52   3.114 -33.209  13.132
  440    H    LEU  53           HN       LEU  53   3.132 -31.334  14.248
  441    HA   LEU  53           HA       LEU  53   5.142 -32.752  15.606
  442    HB2  LEU  53           HB2      LEU  53   5.589 -31.289  13.689
  443    HB3  LEU  53           HB1      LEU  53   5.138 -29.885  14.649
  444    HG   LEU  53           HG       LEU  53   7.204 -31.601  15.931
  445   HD11  LEU  53          HD11      LEU  53   9.012 -30.583  14.464
  446   HD12  LEU  53          HD12      LEU  53   7.740 -30.177  13.314
  447   HD13  LEU  53          HD13      LEU  53   8.063 -31.864  13.713
  448   HD21  LEU  53          HD21      LEU  53   6.355 -29.251  16.616
  449   HD22  LEU  53          HD22      LEU  53   7.338 -28.649  15.280
  450   HD23  LEU  53          HD23      LEU  53   8.099 -29.515  16.614
  451    H    ILE  54           HN       ILE  54   3.240 -29.913  16.521
  452    HA   ILE  54           HA       ILE  54   4.674 -29.260  18.852
  453    HB   ILE  54           HB       ILE  54   1.864 -28.756  17.913
  454   HG12  ILE  54          HG12      ILE  54   4.088 -27.537  17.146
  455   HG13  ILE  54          HG11      ILE  54   2.634 -26.603  17.468
  456   HG21  ILE  54          HG21      ILE  54   3.030 -28.186  20.635
  457   HG22  ILE  54          HG22      ILE  54   1.461 -28.877  20.230
  458   HG23  ILE  54          HG23      ILE  54   1.764 -27.162  19.956
  459   HD11  ILE  54          HD11      ILE  54   4.647 -27.095  19.656
  460   HD12  ILE  54          HD12      ILE  54   3.430 -25.823  19.542
  461   HD13  ILE  54          HD13      ILE  54   4.857 -25.775  18.506
  462    H    ASP  55           HN       ASP  55   1.828 -31.341  18.361
  463    HA   ASP  55           HA       ASP  55   1.558 -32.023  21.110
  464    HB2  ASP  55           HB2      ASP  55  -0.309 -32.198  19.519
  465    HB3  ASP  55           HB1      ASP  55   0.558 -33.455  18.638
  466    H    LEU  56           HN       LEU  56   3.153 -33.549  18.353
  467    HA   LEU  56           HA       LEU  56   3.903 -35.874  19.825
  468    HB2  LEU  56           HB2      LEU  56   4.436 -34.785  17.109
  469    HB3  LEU  56           HB1      LEU  56   5.601 -35.951  17.725
  470    HG   LEU  56           HG       LEU  56   3.685 -36.964  16.404
  471   HD11  LEU  56          HD11      LEU  56   3.754 -38.881  17.665
  472   HD12  LEU  56          HD12      LEU  56   3.387 -38.052  19.175
  473   HD13  LEU  56          HD13      LEU  56   5.022 -38.008  18.519
  474   HD21  LEU  56          HD21      LEU  56   1.482 -36.861  17.141
  475   HD22  LEU  56          HD22      LEU  56   2.042 -35.263  17.617
  476   HD23  LEU  56          HD23      LEU  56   1.932 -36.547  18.815
  477    H    TYR  57           HN       TYR  57   5.270 -32.728  19.342
  478    HA   TYR  57           HA       TYR  57   7.908 -33.479  20.285
  479    HB2  TYR  57           HB2      TYR  57   7.690 -31.712  18.623
  480    HB3  TYR  57           HB1      TYR  57   6.657 -30.782  19.711
  481    HD1  TYR  57           HD1      TYR  57  10.062 -32.252  19.356
  482    HD2  TYR  57           HD2      TYR  57   7.591 -29.378  21.374
  483    HE1  TYR  57           HE1      TYR  57  12.075 -31.266  20.415
  484    HE2  TYR  57           HE2      TYR  57   9.603 -28.391  22.430
  485    HH   TYR  57           HH       TYR  57  11.891 -29.060  23.006
  486    H    GLU  58           HN       GLU  58   5.094 -31.706  21.538
  487    HA   GLU  58           HA       GLU  58   6.267 -30.939  24.000
  488    HB2  GLU  58           HB2      GLU  58   4.128 -30.190  24.620
  489    HB3  GLU  58           HB1      GLU  58   4.105 -30.069  22.866
  490    HG2  GLU  58           HG2      GLU  58   2.086 -31.155  23.248
  491    HG3  GLU  58           HG1      GLU  58   3.161 -32.526  22.997
  492    H    GLU  59           HN       GLU  59   4.712 -33.865  22.919
  493    HA   GLU  59           HA       GLU  59   4.546 -34.958  25.612
  494    HB2  GLU  59           HB2      GLU  59   3.429 -36.820  24.618
  495    HB3  GLU  59           HB1      GLU  59   2.800 -35.366  23.841
  496    HG2  GLU  59           HG2      GLU  59   4.514 -35.723  22.018
  497    HG3  GLU  59           HG1      GLU  59   4.865 -37.287  22.737
  498    H    SER  60           HN       SER  60   6.844 -34.808  23.104
  499    HA   SER  60           HA       SER  60   8.084 -37.256  23.097
  500    HB2  SER  60           HB2      SER  60   9.320 -34.503  23.037
  501    HB3  SER  60           HB1      SER  60  10.213 -35.979  22.682
  502    HG   SER  60           HG       SER  60   7.778 -35.540  21.374
  503    H    GLN  61           HN       GLN  61   9.110 -34.565  25.206
  504    HA   GLN  61           HA       GLN  61  10.145 -36.564  27.136
  505    HB2  GLN  61           HB2      GLN  61  11.490 -34.418  25.916
  506    HB3  GLN  61           HB1      GLN  61  11.170 -33.850  27.550
  507    HG2  GLN  61           HG2      GLN  61  12.525 -36.461  26.807
  508    HG3  GLN  61           HG1      GLN  61  13.316 -35.036  27.483
  509   HE21  GLN  61          HE21      GLN  61  11.746 -37.969  28.306
  510   HE22  GLN  61          HE22      GLN  61  11.538 -37.659  29.962
  511    HA   PRO  62           HA       PRO  62   7.655 -33.578  29.748
  512    HB2  PRO  62           HB2      PRO  62   6.679 -31.273  28.656
  513    HB3  PRO  62           HB1      PRO  62   8.372 -31.443  29.151
  514    HG2  PRO  62           HG2      PRO  62   7.236 -31.297  26.445
  515    HG3  PRO  62           HG1      PRO  62   8.900 -31.050  26.977
  516    HD2  PRO  62           HD2      PRO  62   7.735 -33.465  25.790
  517    HD3  PRO  62           HD1      PRO  62   9.426 -33.115  26.179
  518    H    SER  63           HN       SER  63   6.282 -35.513  29.216
  519    HA   SER  63           HA       SER  63   3.789 -35.030  27.782
  520    HB2  SER  63           HB2      SER  63   5.025 -37.410  29.153
  521    HB3  SER  63           HB1      SER  63   3.337 -37.425  28.652
  522    HG   SER  63           HG       SER  63   5.491 -37.858  27.179
  523    H    SER  64           HN       SER  64   5.032 -34.885  30.997
  524    HA   SER  64           HA       SER  64   2.282 -34.612  32.097
  525    HB2  SER  64           HB2      SER  64   3.227 -36.460  33.201
  526    HB3  SER  64           HB1      SER  64   4.819 -35.711  33.295
  527    HG   SER  64           HG       SER  64   3.745 -34.094  34.659
  528    H    GLU  65           HN       GLU  65   4.659 -32.764  30.992
  529    HA   GLU  65           HA       GLU  65   5.124 -30.992  33.205
  530    HB2  GLU  65           HB2      GLU  65   6.623 -31.320  31.145
  531    HB3  GLU  65           HB1      GLU  65   5.457 -30.313  30.290
  532    HG2  GLU  65           HG2      GLU  65   5.869 -28.447  31.742
  533    HG3  GLU  65           HG1      GLU  65   6.817 -29.439  32.846
  534    H    ARG  66           HN       ARG  66   4.562 -28.632  32.972
  535    HA   ARG  66           HA       ARG  66   1.787 -28.287  33.052
  536    HB2  ARG  66           HB2      ARG  66   3.699 -26.823  34.056
  537    HB3  ARG  66           HB1      ARG  66   3.687 -26.016  32.488
  538    HG2  ARG  66           HG2      ARG  66   2.135 -24.713  33.633
  539    HG3  ARG  66           HG1      ARG  66   1.062 -25.910  32.910
  540    HD2  ARG  66           HD2      ARG  66   1.162 -27.241  35.007
  541    HD3  ARG  66           HD1      ARG  66   2.203 -26.013  35.722
  542    HE   ARG  66           HE       ARG  66  -0.664 -25.791  35.207
  543   HH11  ARG  66          HH21      ARG  66   2.332 -24.260  36.033
  544   HH12  ARG  66          HH22      ARG  66   1.582 -22.868  36.739
  545   HH21  ARG  66          HH11      ARG  66  -1.650 -23.968  36.122
  546   HH22  ARG  66          HH12      ARG  66  -0.672 -22.702  36.788
  547    H    LEU  67           HN       LEU  67   3.901 -28.487  30.396
  548    HA   LEU  67           HA       LEU  67   2.913 -26.758  28.523
  549    HB2  LEU  67           HB2      LEU  67   4.015 -29.534  28.360
  550    HB3  LEU  67           HB1      LEU  67   3.214 -28.916  26.919
  551    HG   LEU  67           HG       LEU  67   4.715 -26.835  27.166
  552   HD11  LEU  67          HD11      LEU  67   5.337 -27.480  29.566
  553   HD12  LEU  67          HD12      LEU  67   6.675 -27.009  28.518
  554   HD13  LEU  67          HD13      LEU  67   6.377 -28.713  28.854
  555   HD21  LEU  67          HD21      LEU  67   5.233 -28.282  25.389
  556   HD22  LEU  67          HD22      LEU  67   5.687 -29.601  26.466
  557   HD23  LEU  67          HD23      LEU  67   6.748 -28.204  26.288
  558    H    ASN  68           HN       ASN  68   1.196 -29.231  30.125
  559    HA   ASN  68           HA       ASN  68  -0.731 -30.060  28.353
  560    HB2  ASN  68           HB2      ASN  68  -2.249 -30.230  30.285
  561    HB3  ASN  68           HB1      ASN  68  -0.631 -30.796  30.698
  562   HD21  ASN  68          HD21      ASN  68  -1.299 -30.268  32.999
  563   HD22  ASN  68          HD22      ASN  68  -1.160 -28.662  33.530
  564    H    ALA  69           HN       ALA  69  -0.144 -26.853  29.488
  565    HA   ALA  69           HA       ALA  69  -2.775 -25.813  28.919
  566    HB1  ALA  69           HB1      ALA  69  -1.894 -23.696  29.525
  567    HB2  ALA  69           HB2      ALA  69  -0.239 -24.200  29.183
  568    HB3  ALA  69           HB3      ALA  69  -1.088 -24.852  30.585
  569    H    PHE  70           HN       PHE  70   0.068 -26.474  27.116
  570    HA   PHE  70           HA       PHE  70   0.083 -24.642  25.069
  571    HB2  PHE  70           HB2      PHE  70   1.329 -26.187  23.844
  572    HB3  PHE  70           HB1      PHE  70   1.537 -26.807  25.477
  573    HD1  PHE  70           HD1      PHE  70  -1.033 -28.135  26.031
  574    HD2  PHE  70           HD2      PHE  70   1.275 -28.054  22.408
  575    HE1  PHE  70           HE1      PHE  70  -2.074 -30.262  25.328
  576    HE2  PHE  70           HE2      PHE  70   0.226 -30.191  21.704
  577    HZ   PHE  70           HZ       PHE  70  -1.447 -31.292  23.159
  578    H    ARG  71           HN       ARG  71  -2.365 -26.894  25.885
  579    HA   ARG  71           HA       ARG  71  -3.611 -27.530  23.532
  580    HB2  ARG  71           HB2      ARG  71  -5.734 -27.522  24.787
  581    HB3  ARG  71           HB1      ARG  71  -4.435 -28.280  25.711
  582    HG2  ARG  71           HG2      ARG  71  -4.069 -26.167  26.936
  583    HG3  ARG  71           HG1      ARG  71  -5.377 -25.411  26.028
  584    HD2  ARG  71           HD2      ARG  71  -6.260 -26.127  28.159
  585    HD3  ARG  71           HD1      ARG  71  -6.926 -27.172  26.909
  586    HE   ARG  71           HE       ARG  71  -4.554 -28.327  27.945
  587   HH11  ARG  71          HH21      ARG  71  -7.830 -27.588  28.775
  588   HH12  ARG  71          HH22      ARG  71  -7.996 -28.913  29.876
  589   HH21  ARG  71          HH11      ARG  71  -4.762 -30.067  29.389
  590   HH22  ARG  71          HH12      ARG  71  -6.259 -30.318  30.224
  591    H    GLU  72           HN       GLU  72  -3.302 -24.420  25.025
  592    HA   GLU  72           HA       GLU  72  -5.399 -23.078  23.656
  593    HB2  GLU  72           HB2      GLU  72  -2.786 -22.052  24.791
  594    HB3  GLU  72           HB1      GLU  72  -4.093 -21.022  24.206
  595    HG2  GLU  72           HG2      GLU  72  -5.629 -22.017  25.853
  596    HG3  GLU  72           HG1      GLU  72  -4.336 -23.066  26.431
  597    H    LEU  73           HN       LEU  73  -1.918 -23.439  23.004
  598    HA   LEU  73           HA       LEU  73  -1.942 -22.028  20.546
  599    HB2  LEU  73           HB2      LEU  73   0.148 -22.422  21.769
  600    HB3  LEU  73           HB1      LEU  73  -0.035 -24.161  21.553
  601    HG   LEU  73           HG       LEU  73   0.137 -23.899  19.111
  602   HD11  LEU  73          HD11      LEU  73   0.111 -20.977  19.836
  603   HD12  LEU  73          HD12      LEU  73  -0.761 -21.816  18.554
  604   HD13  LEU  73          HD13      LEU  73   0.963 -21.506  18.386
  605   HD21  LEU  73          HD21      LEU  73   2.468 -23.465  19.014
  606   HD22  LEU  73          HD22      LEU  73   2.191 -24.046  20.657
  607   HD23  LEU  73          HD23      LEU  73   2.394 -22.320  20.353
  608    H    ARG  74           HN       ARG  74  -2.323 -25.427  21.405
  609    HA   ARG  74           HA       ARG  74  -2.292 -26.539  18.839
  610    HB2  ARG  74           HB2      ARG  74  -2.231 -27.860  20.937
  611    HB3  ARG  74           HB1      ARG  74  -3.922 -27.448  21.220
  612    HG2  ARG  74           HG2      ARG  74  -4.568 -28.540  19.128
  613    HG3  ARG  74           HG1      ARG  74  -2.878 -28.908  18.780
  614    HD2  ARG  74           HD2      ARG  74  -2.794 -30.207  20.927
  615    HD3  ARG  74           HD1      ARG  74  -4.528 -29.951  21.097
  616    HE   ARG  74           HE       ARG  74  -3.830 -31.101  18.553
  617   HH11  ARG  74          HH21      ARG  74  -4.394 -31.709  21.910
  618   HH12  ARG  74          HH22      ARG  74  -4.867 -33.359  21.675
  619   HH21  ARG  74          HH11      ARG  74  -4.449 -33.266  18.235
  620   HH22  ARG  74          HH12      ARG  74  -4.897 -34.241  19.594
  621    H    THR  75           HN       THR  75  -4.872 -25.029  20.698
  622    HA   THR  75           HA       THR  75  -7.010 -25.642  18.996
  623    HB   THR  75           HB       THR  75  -6.568 -23.278  20.756
  624    HG1  THR  75           HG1      THR  75  -7.403 -24.491  22.286
  625   HG21  THR  75          HG21      THR  75  -9.110 -23.190  20.665
  626   HG22  THR  75          HG22      THR  75  -8.983 -24.258  19.266
  627   HG23  THR  75          HG23      THR  75  -8.256 -22.653  19.218
  628    H    GLN  76           HN       GLN  76  -4.759 -22.908  19.024
  629    HA   GLN  76           HA       GLN  76  -5.924 -21.431  16.940
  630    HB2  GLN  76           HB2      GLN  76  -3.046 -21.657  17.837
  631    HB3  GLN  76           HB1      GLN  76  -3.622 -20.464  16.673
  632    HG2  GLN  76           HG2      GLN  76  -5.162 -19.540  18.324
  633    HG3  GLN  76           HG1      GLN  76  -4.705 -20.785  19.485
  634   HE21  GLN  76          HE21      GLN  76  -4.262 -18.419  20.568
  635   HE22  GLN  76          HE22      GLN  76  -2.645 -17.915  20.451
  636    H    LEU  77           HN       LEU  77  -3.265 -23.800  16.851
  637    HA   LEU  77           HA       LEU  77  -2.979 -23.794  14.034
  638    HB2  LEU  77           HB2      LEU  77  -2.148 -25.643  16.252
  639    HB3  LEU  77           HB1      LEU  77  -1.971 -26.178  14.584
  640    HG   LEU  77           HG       LEU  77   0.081 -25.052  15.525
  641   HD11  LEU  77          HD11      LEU  77  -0.883 -24.934  12.987
  642   HD12  LEU  77          HD12      LEU  77   0.629 -24.179  13.474
  643   HD13  LEU  77          HD13      LEU  77  -0.834 -23.210  13.363
  644   HD21  LEU  77          HD21      LEU  77  -1.491 -22.484  15.298
  645   HD22  LEU  77          HD22      LEU  77   0.078 -22.747  16.062
  646   HD23  LEU  77          HD23      LEU  77  -1.387 -23.366  16.817
  647    H    GLU  78           HN       GLU  78  -4.892 -25.764  16.255
  648    HA   GLU  78           HA       GLU  78  -5.880 -27.584  14.321
  649    HB2  GLU  78           HB2      GLU  78  -5.985 -27.957  16.775
  650    HB3  GLU  78           HB1      GLU  78  -7.190 -26.674  16.895
  651    HG2  GLU  78           HG2      GLU  78  -8.684 -27.923  15.386
  652    HG3  GLU  78           HG1      GLU  78  -7.476 -29.199  15.242
  653    H    LYS  79           HN       LYS  79  -6.969 -24.431  15.462
  654    HA   LYS  79           HA       LYS  79  -9.479 -24.425  14.146
  655    HB2  LYS  79           HB2      LYS  79  -8.858 -22.877  15.991
  656    HB3  LYS  79           HB1      LYS  79  -7.745 -22.059  14.895
  657    HG2  LYS  79           HG2      LYS  79  -9.599 -21.515  13.380
  658    HG3  LYS  79           HG1      LYS  79 -10.729 -22.355  14.441
  659    HD2  LYS  79           HD2      LYS  79  -9.010 -20.076  15.434
  660    HD3  LYS  79           HD1      LYS  79 -10.575 -19.791  14.678
  661    HE2  LYS  79           HE2      LYS  79 -11.539 -21.442  16.389
  662    HE3  LYS  79           HE1      LYS  79  -9.995 -21.306  17.231
  663    HZ1  LYS  79           HZ1      LYS  79 -12.094 -19.306  16.864
  664    HZ2  LYS  79           HZ2      LYS  79 -10.484 -18.764  16.914
  665    HZ3  LYS  79           HZ3      LYS  79 -11.132 -19.629  18.224
  666    H    ALA  80           HN       ALA  80  -6.263 -23.240  13.268
  667    HA   ALA  80           HA       ALA  80  -7.007 -22.108  10.794
  668    HB1  ALA  80           HB1      ALA  80  -4.301 -23.314  11.341
  669    HB2  ALA  80           HB2      ALA  80  -4.803 -21.785  12.063
  670    HB3  ALA  80           HB3      ALA  80  -4.698 -21.940  10.308
  671    H    LEU  81           HN       LEU  81  -6.494 -25.361  11.820
  672    HA   LEU  81           HA       LEU  81  -5.830 -26.553   9.362
  673    HB2  LEU  81           HB2      LEU  81  -6.017 -27.493  11.874
  674    HB3  LEU  81           HB1      LEU  81  -7.588 -28.032  11.295
  675    HG   LEU  81           HG       LEU  81  -5.992 -29.814  10.912
  676   HD11  LEU  81          HD11      LEU  81  -7.714 -29.114   9.094
  677   HD12  LEU  81          HD12      LEU  81  -6.430 -30.233   8.640
  678   HD13  LEU  81          HD13      LEU  81  -6.307 -28.531   8.202
  679   HD21  LEU  81          HD21      LEU  81  -4.089 -27.824  10.641
  680   HD22  LEU  81          HD22      LEU  81  -4.294 -28.342   8.970
  681   HD23  LEU  81          HD23      LEU  81  -3.843 -29.513  10.206
  682    H    GLY  82           HN       GLY  82  -8.957 -25.808  10.856
  683    HA2  GLY  82           HA2      GLY  82 -10.566 -27.027   8.855
  684    HA3  GLY  82           HA1      GLY  82 -11.097 -25.787   9.990
  685    H    LEU  83           HN       LEU  83  -8.384 -24.684   8.436
  686    HA   LEU  83           HA       LEU  83  -8.001 -23.074   6.844
  687    HB2  LEU  83           HB2      LEU  83 -10.400 -24.278   5.444
  688    HB3  LEU  83           HB1      LEU  83  -9.096 -23.346   4.711
  689    HG   LEU  83           HG       LEU  83  -8.777 -26.026   6.091
  690   HD11  LEU  83          HD11      LEU  83  -9.955 -26.064   3.871
  691   HD12  LEU  83          HD12      LEU  83  -8.422 -26.937   3.879
  692   HD13  LEU  83          HD13      LEU  83  -8.519 -25.332   3.153
  693   HD21  LEU  83          HD21      LEU  83  -6.709 -24.943   6.380
  694   HD22  LEU  83          HD22      LEU  83  -6.834 -24.077   4.850
  695   HD23  LEU  83          HD23      LEU  83  -6.474 -25.804   4.861
  696    H    GLU  84           HN       GLU  84 -10.520 -23.053   8.861
  697    HA   GLU  84           HA       GLU  84 -12.175 -20.985   7.775
  698    HB2  GLU  84           HB2      GLU  84 -13.060 -20.835  10.099
  699    HB3  GLU  84           HB1      GLU  84 -13.062 -22.483   9.470
  700    HG2  GLU  84           HG2      GLU  84 -10.930 -22.928  10.638
  701    HG3  GLU  84           HG1      GLU  84 -10.943 -21.286  11.278
  702    H    HIS  85           HN       HIS  85 -12.123 -18.797   8.127
  703    HA   HIS  85           HA       HIS  85 -10.086 -17.644   9.885
  704    HB2  HIS  85           HB2      HIS  85  -8.913 -17.974   7.737
  705    HB3  HIS  85           HB1      HIS  85 -10.167 -17.040   6.919
  706    HD2  HIS  85           HD2      HIS  85  -9.466 -15.385  10.260
  707    HE1  HIS  85           HE1      HIS  85  -6.938 -13.442   7.494
  708    HE2  HIS  85           HE2      HIS  85  -7.895 -13.342   9.844
  709    H    HIS  86           HN       HIS  86 -11.879 -16.307   7.121
  710    HA   HIS  86           HA       HIS  86 -13.872 -15.070   8.795
  711    HB2  HIS  86           HB2      HIS  86 -13.218 -12.748   8.327
  712    HB3  HIS  86           HB1      HIS  86 -11.962 -13.586   9.238
  713    HD2  HIS  86           HD2      HIS  86 -11.958 -11.271   6.373
  714    HE1  HIS  86           HE1      HIS  86  -8.917 -14.028   5.381
  715    HE2  HIS  86           HE2      HIS  86  -9.909 -11.756   4.829
  716    H    HIS  87           HN       HIS  87 -15.164 -16.239   7.267
  717    HA   HIS  87           HA       HIS  87 -16.266 -16.587   5.256
  718    HB2  HIS  87           HB2      HIS  87 -16.221 -13.570   5.476
  719    HB3  HIS  87           HB1      HIS  87 -17.262 -14.475   4.377
  720    HD2  HIS  87           HD2      HIS  87 -19.380 -15.913   5.653
  721    HE1  HIS  87           HE1      HIS  87 -18.715 -14.293   9.495
  722    HE2  HIS  87           HE2      HIS  87 -20.317 -15.663   8.078
  723    H    HIS  88           HN       HIS  88 -15.792 -13.871   3.486
  724    HA   HIS  88           HA       HIS  88 -14.779 -13.571   1.430
  725    HB2  HIS  88           HB2      HIS  88 -12.474 -14.314   3.240
  726    HB3  HIS  88           HB1      HIS  88 -12.250 -13.736   1.589
  727    HD2  HIS  88           HD2      HIS  88 -12.606 -10.968   1.254
  728    HE1  HIS  88           HE1      HIS  88 -13.761 -10.116   5.225
  729    HE2  HIS  88           HE2      HIS  88 -13.141  -9.089   2.987
  730    H    HIS  89           HN       HIS  89 -15.697 -16.358   2.225
  731    HA   HIS  89           HA       HIS  89 -13.963 -18.280   1.112
  732    HB2  HIS  89           HB2      HIS  89 -15.890 -19.759   1.125
  733    HB3  HIS  89           HB1      HIS  89 -15.863 -18.806   2.608
  734    HD2  HIS  89           HD2      HIS  89 -18.006 -19.092  -0.679
  735    HE1  HIS  89           HE1      HIS  89 -19.959 -16.426   1.947
  736    HE2  HIS  89           HE2      HIS  89 -20.166 -17.691  -0.244
  737    H    HIS  90           HN       HIS  90 -16.684 -16.483  -0.365
  738    HA   HIS  90           HA       HIS  90 -16.857 -17.743  -2.798
  739    HB2  HIS  90           HB2      HIS  90 -18.254 -15.795  -2.116
  740    HB3  HIS  90           HB1      HIS  90 -16.880 -14.737  -2.443
  741    HD2  HIS  90           HD2      HIS  90 -19.516 -16.858  -4.442
  742    HE1  HIS  90           HE1      HIS  90 -17.168 -14.733  -7.234
  743    HE2  HIS  90           HE2      HIS  90 -19.212 -16.212  -6.954
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  -9.335 -11.490  16.417
    2    H2   MET   1           HT2      MET   1 -10.262 -11.135  17.796
    3    H3   MET   1           HT3      MET   1 -10.648 -12.480  16.832
    4    HA   MET   1           HA       MET   1  -8.643 -12.193  18.899
    5    HB2  MET   1           HB2      MET   1 -10.154 -14.494  17.624
    6    HB3  MET   1           HB1      MET   1  -9.045 -14.673  18.983
    7    HG2  MET   1           HG2      MET   1 -10.411 -13.113  20.315
    8    HG3  MET   1           HG1      MET   1 -11.521 -12.924  18.958
    9    HE1  MET   1           HE1      MET   1 -13.896 -14.944  21.023
   10    HE2  MET   1           HE2      MET   1 -13.512 -13.471  20.134
   11    HE3  MET   1           HE3      MET   1 -12.767 -13.764  21.704
   12    H    GLY   2           HN       GLY   2  -8.893 -14.329  16.052
   13    HA2  GLY   2           HA2      GLY   2  -7.318 -14.885  14.445
   14    HA3  GLY   2           HA1      GLY   2  -6.282 -13.608  15.077
   15    H    VAL   3           HN       VAL   3  -4.723 -15.505  14.543
   16    HA   VAL   3           HA       VAL   3  -4.501 -17.338  16.870
   17    HB   VAL   3           HB       VAL   3  -3.331 -17.528  14.084
   18   HG11  VAL   3          HG11      VAL   3  -2.945 -19.175  16.588
   19   HG12  VAL   3          HG12      VAL   3  -1.717 -18.521  15.504
   20   HG13  VAL   3          HG13      VAL   3  -2.718 -19.876  14.987
   21   HG21  VAL   3          HG21      VAL   3  -4.790 -19.611  14.073
   22   HG22  VAL   3          HG22      VAL   3  -5.669 -18.082  14.065
   23   HG23  VAL   3          HG23      VAL   3  -5.524 -19.008  15.559
   24    H    TRP   4           HN       TRP   4  -3.533 -15.772  18.220
   25    HA   TRP   4           HA       TRP   4  -0.707 -15.182  17.544
   26    HB2  TRP   4           HB2      TRP   4  -2.873 -13.377  18.516
   27    HB3  TRP   4           HB1      TRP   4  -1.288 -13.159  19.253
   28    HD1  TRP   4           HD1      TRP   4   0.528 -11.971  17.877
   29    HE1  TRP   4           HE1      TRP   4   0.654 -11.006  15.490
   30    HE3  TRP   4           HE3      TRP   4  -3.840 -13.795  15.956
   31    HZ2  TRP   4           HZ2      TRP   4  -0.890 -11.012  13.084
   32    HZ3  TRP   4           HZ3      TRP   4  -4.484 -13.301  13.615
   33    HH2  TRP   4           HH2      TRP   4  -3.018 -11.912  12.179
   34    H    THR   5           HN       THR   5   0.733 -15.820  18.965
   35    HA   THR   5           HA       THR   5   0.282 -15.974  21.766
   36    HB   THR   5           HB       THR   5   0.670 -18.683  20.497
   37    HG1  THR   5           HG1      THR   5  -1.797 -17.560  21.316
   38   HG21  THR   5          HG21      THR   5   1.198 -18.289  22.913
   39   HG22  THR   5          HG22      THR   5  -0.093 -19.465  22.667
   40   HG23  THR   5          HG23      THR   5  -0.483 -17.817  23.161
   41    HA   PRO   6           HA       PRO   6   4.650 -16.131  19.816
   42    HB2  PRO   6           HB2      PRO   6   5.330 -13.500  20.277
   43    HB3  PRO   6           HB1      PRO   6   4.579 -14.065  18.772
   44    HG2  PRO   6           HG2      PRO   6   3.294 -12.790  21.148
   45    HG3  PRO   6           HG1      PRO   6   3.048 -12.450  19.427
   46    HD2  PRO   6           HD2      PRO   6   1.304 -13.973  20.807
   47    HD3  PRO   6           HD1      PRO   6   1.711 -14.335  19.112
   48    H    GLU   7           HN       GLU   7   6.705 -15.260  21.068
   49    HA   GLU   7           HA       GLU   7   6.868 -16.454  23.549
   50    HB2  GLU   7           HB2      GLU   7   8.915 -15.109  23.899
   51    HB3  GLU   7           HB1      GLU   7   8.848 -15.798  22.277
   52    HG2  GLU   7           HG2      GLU   7   7.974 -13.659  21.405
   53    HG3  GLU   7           HG1      GLU   7   8.059 -12.966  23.024
   54    H    VAL   8           HN       VAL   8   5.350 -13.506  22.734
   55    HA   VAL   8           HA       VAL   8   5.612 -11.913  24.975
   56    HB   VAL   8           HB       VAL   8   3.076 -12.452  23.416
   57   HG11  VAL   8          HG11      VAL   8   2.526 -10.107  24.158
   58   HG12  VAL   8          HG12      VAL   8   3.905 -10.196  25.253
   59   HG13  VAL   8          HG13      VAL   8   2.543 -11.296  25.459
   60   HG21  VAL   8          HG21      VAL   8   3.750 -10.655  21.979
   61   HG22  VAL   8          HG22      VAL   8   5.146 -11.724  22.116
   62   HG23  VAL   8          HG23      VAL   8   5.089 -10.223  23.040
   63    H    LEU   9           HN       LEU   9   3.437 -14.684  24.481
   64    HA   LEU   9           HA       LEU   9   2.104 -14.502  26.955
   65    HB2  LEU   9           HB2      LEU   9   1.288 -15.927  25.119
   66    HB3  LEU   9           HB1      LEU   9   2.707 -16.959  25.285
   67    HG   LEU   9           HG       LEU   9   2.028 -17.554  27.579
   68   HD11  LEU   9          HD11      LEU   9   0.866 -15.742  28.484
   69   HD12  LEU   9          HD12      LEU   9  -0.456 -16.848  28.125
   70   HD13  LEU   9          HD13      LEU   9  -0.110 -15.506  27.035
   71   HD21  LEU   9          HD21      LEU   9  -0.060 -18.804  26.977
   72   HD22  LEU   9          HD22      LEU   9   1.223 -18.969  25.777
   73   HD23  LEU   9          HD23      LEU   9  -0.132 -17.881  25.476
   74    H    LYS  10           HN       LYS  10   5.025 -16.252  25.966
   75    HA   LYS  10           HA       LYS  10   5.511 -17.534  28.436
   76    HB2  LYS  10           HB2      LYS  10   6.599 -18.142  26.285
   77    HB3  LYS  10           HB1      LYS  10   7.533 -16.650  26.363
   78    HG2  LYS  10           HG2      LYS  10   8.504 -17.365  28.520
   79    HG3  LYS  10           HG1      LYS  10   7.580 -18.864  28.438
   80    HD2  LYS  10           HD2      LYS  10   9.473 -18.042  26.229
   81    HD3  LYS  10           HD1      LYS  10  10.035 -18.936  27.639
   82    HE2  LYS  10           HE2      LYS  10   8.220 -20.655  27.120
   83    HE3  LYS  10           HE1      LYS  10   8.000 -19.824  25.580
   84    HZ1  LYS  10           HZ1      LYS  10  10.745 -20.262  26.050
   85    HZ2  LYS  10           HZ2      LYS  10   9.778 -20.831  24.774
   86    HZ3  LYS  10           HZ3      LYS  10   9.911 -21.729  26.209
   87    H    ALA  11           HN       ALA  11   6.612 -14.443  27.098
   88    HA   ALA  11           HA       ALA  11   8.296 -13.717  29.243
   89    HB1  ALA  11           HB1      ALA  11   8.186 -12.626  26.955
   90    HB2  ALA  11           HB2      ALA  11   8.259 -11.509  28.318
   91    HB3  ALA  11           HB3      ALA  11   6.724 -11.807  27.504
   92    H    ARG  12           HN       ARG  12   4.843 -13.294  28.660
   93    HA   ARG  12           HA       ARG  12   4.300 -11.573  30.836
   94    HB2  ARG  12           HB2      ARG  12   2.608 -13.553  29.307
   95    HB3  ARG  12           HB1      ARG  12   1.946 -12.545  30.592
   96    HG2  ARG  12           HG2      ARG  12   3.539 -11.225  28.400
   97    HG3  ARG  12           HG1      ARG  12   1.886 -11.731  28.055
   98    HD2  ARG  12           HD2      ARG  12   2.622 -10.017  30.441
   99    HD3  ARG  12           HD1      ARG  12   2.112  -9.354  28.891
  100    HE   ARG  12           HE       ARG  12   0.215 -11.268  29.725
  101   HH11  ARG  12          HH21      ARG  12   1.472  -8.161  30.568
  102   HH12  ARG  12          HH22      ARG  12  -0.007  -7.601  31.276
  103   HH21  ARG  12          HH11      ARG  12  -1.728 -10.546  30.649
  104   HH22  ARG  12          HH12      ARG  12  -1.820  -8.953  31.322
  105    H    ALA  13           HN       ALA  13   4.181 -15.113  30.518
  106    HA   ALA  13           HA       ALA  13   3.386 -15.570  33.224
  107    HB1  ALA  13           HB1      ALA  13   3.033 -17.205  31.378
  108    HB2  ALA  13           HB2      ALA  13   3.867 -17.906  32.765
  109    HB3  ALA  13           HB3      ALA  13   4.775 -17.466  31.319
  110    H    SER  14           HN       SER  14   6.466 -15.472  31.515
  111    HA   SER  14           HA       SER  14   7.967 -16.063  33.963
  112    HB2  SER  14           HB2      SER  14   8.655 -17.098  31.815
  113    HB3  SER  14           HB1      SER  14   8.952 -15.491  31.156
  114    HG   SER  14           HG       SER  14  10.881 -16.158  31.955
  115    H    VAL  15           HN       VAL  15   6.428 -13.463  32.983
  116    HA   VAL  15           HA       VAL  15   6.612 -11.209  33.369
  117    HB   VAL  15           HB       VAL  15   9.052 -11.881  35.019
  118   HG11  VAL  15          HG11      VAL  15   8.536  -9.481  34.566
  119   HG12  VAL  15          HG12      VAL  15   8.389  -9.898  36.273
  120   HG13  VAL  15          HG13      VAL  15   6.942  -9.721  35.281
  121   HG21  VAL  15          HG21      VAL  15   6.108 -12.046  35.735
  122   HG22  VAL  15          HG22      VAL  15   7.423 -12.119  36.907
  123   HG23  VAL  15          HG23      VAL  15   7.252 -13.386  35.692
  124    H    ILE  16           HN       ILE  16  10.038 -12.180  33.434
  125    HA   ILE  16           HA       ILE  16  10.598 -10.199  31.315
  126    HB   ILE  16           HB       ILE  16  12.952 -10.436  32.052
  127   HG12  ILE  16          HG12      ILE  16  11.766 -12.205  34.218
  128   HG13  ILE  16          HG11      ILE  16  12.758 -12.783  32.880
  129   HG21  ILE  16          HG21      ILE  16  11.358  -8.766  33.054
  130   HG22  ILE  16          HG22      ILE  16  12.674  -9.230  34.131
  131   HG23  ILE  16          HG23      ILE  16  11.064  -9.911  34.363
  132   HD11  ILE  16          HD11      ILE  16  14.260 -12.516  34.711
  133   HD12  ILE  16          HD12      ILE  16  13.580 -10.944  35.130
  134   HD13  ILE  16          HD13      ILE  16  14.538 -11.125  33.661
  135    H    GLY  17           HN       GLY  17  11.497 -10.756  29.398
  136    HA2  GLY  17           HA2      GLY  17  11.283 -13.512  28.578
  137    HA3  GLY  17           HA1      GLY  17  11.769 -12.153  27.568
  138    H    LYS  18           HN       LYS  18  12.917 -14.920  28.059
  139    HA   LYS  18           HA       LYS  18  15.657 -14.195  27.855
  140    HB2  LYS  18           HB2      LYS  18  15.170 -13.953  30.367
  141    HB3  LYS  18           HB1      LYS  18  15.023 -15.711  30.386
  142    HG2  LYS  18           HG2      LYS  18  17.327 -15.718  29.196
  143    HG3  LYS  18           HG1      LYS  18  17.446 -14.038  29.717
  144    HD2  LYS  18           HD2      LYS  18  17.088 -16.468  31.495
  145    HD3  LYS  18           HD1      LYS  18  18.512 -15.432  31.392
  146    HE2  LYS  18           HE2      LYS  18  15.783 -14.732  32.489
  147    HE3  LYS  18           HE1      LYS  18  17.333 -14.693  33.329
  148    HZ1  LYS  18           HZ1      LYS  18  17.891 -13.034  31.384
  149    HZ2  LYS  18           HZ2      LYS  18  17.125 -12.510  32.807
  150    HZ3  LYS  18           HZ3      LYS  18  16.212 -12.800  31.404
  151    HA   PRO  19           HA       PRO  19  14.070 -18.475  26.541
  152    HB2  PRO  19           HB2      PRO  19  14.208 -18.041  23.825
  153    HB3  PRO  19           HB1      PRO  19  12.748 -17.759  24.794
  154    HG2  PRO  19           HG2      PRO  19  14.801 -15.800  23.864
  155    HG3  PRO  19           HG1      PRO  19  13.034 -15.652  23.892
  156    HD2  PRO  19           HD2      PRO  19  14.586 -14.489  25.786
  157    HD3  PRO  19           HD1      PRO  19  12.977 -15.144  26.170
  158    H    ILE  20           HN       ILE  20  15.460 -20.127  25.974
  159    HA   ILE  20           HA       ILE  20  18.276 -19.439  25.742
  160    HB   ILE  20           HB       ILE  20  18.600 -21.918  25.962
  161   HG12  ILE  20          HG12      ILE  20  15.643 -21.967  26.607
  162   HG13  ILE  20          HG11      ILE  20  16.248 -22.331  24.988
  163   HG21  ILE  20          HG21      ILE  20  18.149 -21.933  28.313
  164   HG22  ILE  20          HG22      ILE  20  16.821 -20.786  28.137
  165   HG23  ILE  20          HG23      ILE  20  18.485 -20.252  27.904
  166   HD11  ILE  20          HD11      ILE  20  17.083 -23.763  27.531
  167   HD12  ILE  20          HD12      ILE  20  17.668 -24.124  25.908
  168   HD13  ILE  20          HD13      ILE  20  15.975 -24.400  26.316
  169    H    GLY  21           HN       GLY  21  19.641 -20.067  24.070
  170    HA2  GLY  21           HA2      GLY  21  18.355 -20.204  21.476
  171    HA3  GLY  21           HA1      GLY  21  20.087 -20.111  21.786
  172    H    GLU  22           HN       GLU  22  17.556 -22.113  20.837
  173    HA   GLU  22           HA       GLU  22  19.237 -24.343  20.347
  174    HB2  GLU  22           HB2      GLU  22  18.978 -24.562  22.841
  175    HB3  GLU  22           HB1      GLU  22  17.244 -24.747  22.597
  176    HG2  GLU  22           HG2      GLU  22  17.543 -26.784  21.375
  177    HG3  GLU  22           HG1      GLU  22  19.281 -26.528  21.240
  178    H    SER  23           HN       SER  23  17.901 -26.264  19.598
  179    HA   SER  23           HA       SER  23  16.099 -25.509  17.610
  180    HB2  SER  23           HB2      SER  23  17.291 -27.683  17.673
  181    HB3  SER  23           HB1      SER  23  16.275 -28.185  19.021
  182    HG   SER  23           HG       SER  23  15.576 -28.840  16.854
  183    H    TYR  24           HN       TYR  24  15.623 -25.923  20.998
  184    HA   TYR  24           HA       TYR  24  12.799 -26.438  20.917
  185    HB2  TYR  24           HB2      TYR  24  14.155 -27.054  22.875
  186    HB3  TYR  24           HB1      TYR  24  14.507 -25.349  23.167
  187    HD1  TYR  24           HD2      TYR  24  11.798 -27.890  23.054
  188    HD2  TYR  24           HD1      TYR  24  12.896 -23.894  24.187
  189    HE1  TYR  24           HE2      TYR  24   9.672 -27.661  24.313
  190    HE2  TYR  24           HE1      TYR  24  10.771 -23.667  25.446
  191    HH   TYR  24           HH       TYR  24   8.273 -25.062  25.103
  192    H    LYS  25           HN       LYS  25  14.751 -23.672  20.487
  193    HA   LYS  25           HA       LYS  25  12.614 -21.780  21.185
  194    HB2  LYS  25           HB2      LYS  25  14.972 -21.286  21.831
  195    HB3  LYS  25           HB1      LYS  25  15.404 -21.250  20.121
  196    HG2  LYS  25           HG2      LYS  25  13.861 -19.399  19.731
  197    HG3  LYS  25           HG1      LYS  25  13.307 -19.473  21.404
  198    HD2  LYS  25           HD2      LYS  25  15.603 -18.943  22.169
  199    HD3  LYS  25           HD1      LYS  25  16.125 -18.829  20.487
  200    HE2  LYS  25           HE2      LYS  25  13.910 -17.145  21.688
  201    HE3  LYS  25           HE1      LYS  25  15.579 -16.603  21.516
  202    HZ1  LYS  25           HZ1      LYS  25  15.054 -17.507  19.057
  203    HZ2  LYS  25           HZ2      LYS  25  14.863 -15.888  19.533
  204    HZ3  LYS  25           HZ3      LYS  25  13.522 -16.932  19.507
  205    H    ARG  26           HN       ARG  26  13.910 -23.447  18.486
  206    HA   ARG  26           HA       ARG  26  13.284 -21.611  16.425
  207    HB2  ARG  26           HB2      ARG  26  14.797 -23.529  16.106
  208    HB3  ARG  26           HB1      ARG  26  13.443 -24.634  16.323
  209    HG2  ARG  26           HG2      ARG  26  12.979 -22.526  14.269
  210    HG3  ARG  26           HG1      ARG  26  14.281 -23.645  13.877
  211    HD2  ARG  26           HD2      ARG  26  12.752 -25.554  14.237
  212    HD3  ARG  26           HD1      ARG  26  11.446 -24.434  14.616
  213    HE   ARG  26           HE       ARG  26  11.236 -23.985  12.342
  214   HH11  ARG  26          HH21      ARG  26  14.204 -25.617  13.040
  215   HH12  ARG  26          HH22      ARG  26  14.606 -25.894  11.377
  216   HH21  ARG  26          HH11      ARG  26  11.753 -24.338  10.160
  217   HH22  ARG  26          HH12      ARG  26  13.215 -25.169   9.745
  218    H    ILE  27           HN       ILE  27  11.467 -24.219  17.982
  219    HA   ILE  27           HA       ILE  27   9.246 -24.157  16.257
  220    HB   ILE  27           HB       ILE  27   9.714 -25.965  17.903
  221   HG12  ILE  27          HG12      ILE  27   7.018 -24.687  18.429
  222   HG13  ILE  27          HG11      ILE  27   7.408 -25.491  16.906
  223   HG21  ILE  27          HG21      ILE  27   8.539 -24.133  19.999
  224   HG22  ILE  27          HG22      ILE  27  10.278 -24.212  19.725
  225   HG23  ILE  27          HG23      ILE  27   9.400 -25.655  20.223
  226   HD11  ILE  27          HD11      ILE  27   8.015 -27.546  18.215
  227   HD12  ILE  27          HD12      ILE  27   6.319 -27.097  18.371
  228   HD13  ILE  27          HD13      ILE  27   7.448 -26.734  19.672
  229    H    LEU  28           HN       LEU  28   9.895 -22.497  19.320
  230    HA   LEU  28           HA       LEU  28   7.425 -21.131  19.450
  231    HB2  LEU  28           HB2      LEU  28   8.911 -21.404  21.401
  232    HB3  LEU  28           HB1      LEU  28  10.108 -20.365  20.631
  233    HG   LEU  28           HG       LEU  28   8.494 -18.493  20.632
  234   HD11  LEU  28          HD11      LEU  28   6.673 -20.632  21.709
  235   HD12  LEU  28          HD12      LEU  28   6.341 -19.372  20.519
  236   HD13  LEU  28          HD13      LEU  28   6.433 -18.963  22.229
  237   HD21  LEU  28          HD21      LEU  28   9.030 -19.894  23.260
  238   HD22  LEU  28          HD22      LEU  28   8.337 -18.276  23.175
  239   HD23  LEU  28          HD23      LEU  28   9.947 -18.579  22.524
  240    H    ALA  29           HN       ALA  29  10.605 -20.218  18.174
  241    HA   ALA  29           HA       ALA  29   9.890 -17.578  17.420
  242    HB1  ALA  29           HB1      ALA  29  12.204 -18.024  17.625
  243    HB2  ALA  29           HB2      ALA  29  11.933 -17.821  15.894
  244    HB3  ALA  29           HB3      ALA  29  12.107 -19.439  16.576
  245    H    LYS  30           HN       LYS  30   9.766 -20.681  15.772
  246    HA   LYS  30           HA       LYS  30   9.215 -19.759  13.172
  247    HB2  LYS  30           HB2      LYS  30   9.814 -22.102  13.727
  248    HB3  LYS  30           HB1      LYS  30   8.234 -22.297  14.488
  249    HG2  LYS  30           HG2      LYS  30   7.094 -21.908  12.402
  250    HG3  LYS  30           HG1      LYS  30   8.599 -21.443  11.606
  251    HD2  LYS  30           HD2      LYS  30   7.987 -23.754  11.014
  252    HD3  LYS  30           HD1      LYS  30   9.480 -23.734  11.953
  253    HE2  LYS  30           HE2      LYS  30   8.408 -24.527  13.896
  254    HE3  LYS  30           HE1      LYS  30   6.813 -24.075  13.305
  255    HZ1  LYS  30           HZ1      LYS  30   8.341 -26.466  12.830
  256    HZ2  LYS  30           HZ2      LYS  30   7.690 -25.789  11.414
  257    HZ3  LYS  30           HZ3      LYS  30   6.669 -26.208  12.706
  258    H    LEU  31           HN       LEU  31   7.213 -20.116  16.007
  259    HA   LEU  31           HA       LEU  31   4.681 -20.104  14.813
  260    HB2  LEU  31           HB2      LEU  31   5.121 -20.529  17.237
  261    HB3  LEU  31           HB1      LEU  31   5.468 -18.814  17.437
  262    HG   LEU  31           HG       LEU  31   3.175 -18.288  16.592
  263   HD11  LEU  31          HD11      LEU  31   1.601 -20.407  16.800
  264   HD12  LEU  31          HD12      LEU  31   3.071 -21.286  16.397
  265   HD13  LEU  31          HD13      LEU  31   2.435 -20.069  15.293
  266   HD21  LEU  31          HD21      LEU  31   3.426 -18.281  18.953
  267   HD22  LEU  31          HD22      LEU  31   3.529 -20.040  19.028
  268   HD23  LEU  31          HD23      LEU  31   1.992 -19.262  18.653
  269    H    GLN  32           HN       GLN  32   6.833 -17.447  15.735
  270    HA   GLN  32           HA       GLN  32   5.151 -15.281  15.332
  271    HB2  GLN  32           HB2      GLN  32   7.431 -15.069  16.217
  272    HB3  GLN  32           HB1      GLN  32   8.091 -15.499  14.639
  273    HG2  GLN  32           HG2      GLN  32   7.146 -13.512  13.631
  274    HG3  GLN  32           HG1      GLN  32   6.275 -13.121  15.113
  275   HE21  GLN  32          HE21      GLN  32   8.121 -11.267  13.971
  276   HE22  GLN  32          HE22      GLN  32   9.457 -11.129  15.010
  277    H    ARG  33           HN       ARG  33   6.972 -17.170  12.958
  278    HA   ARG  33           HA       ARG  33   6.392 -15.537  10.719
  279    HB2  ARG  33           HB2      ARG  33   8.039 -17.640  11.111
  280    HB3  ARG  33           HB1      ARG  33   6.712 -18.491  10.328
  281    HG2  ARG  33           HG2      ARG  33   8.166 -16.065   9.224
  282    HG3  ARG  33           HG1      ARG  33   8.349 -17.724   8.658
  283    HD2  ARG  33           HD2      ARG  33   5.809 -17.674   8.242
  284    HD3  ARG  33           HD1      ARG  33   5.935 -15.927   8.441
  285    HE   ARG  33           HE       ARG  33   6.975 -17.499   6.217
  286   HH11  ARG  33          HH21      ARG  33   6.917 -14.500   7.949
  287   HH12  ARG  33          HH22      ARG  33   7.500 -13.565   6.615
  288   HH21  ARG  33          HH11      ARG  33   7.741 -16.282   4.474
  289   HH22  ARG  33          HH12      ARG  33   7.969 -14.573   4.646
  290    H    ILE  34           HN       ILE  34   4.755 -18.326  12.155
  291    HA   ILE  34           HA       ILE  34   2.782 -18.686  10.177
  292    HB   ILE  34           HB       ILE  34   2.468 -19.171  13.147
  293   HG12  ILE  34          HG12      ILE  34   4.537 -20.216  12.457
  294   HG13  ILE  34          HG11      ILE  34   3.318 -21.476  12.589
  295   HG21  ILE  34          HG21      ILE  34   1.023 -21.053  12.282
  296   HG22  ILE  34          HG22      ILE  34   1.190 -20.358  10.670
  297   HG23  ILE  34          HG23      ILE  34   0.393 -19.440  11.947
  298   HD11  ILE  34          HD11      ILE  34   2.929 -21.042  10.048
  299   HD12  ILE  34          HD12      ILE  34   4.352 -21.953  10.542
  300   HD13  ILE  34          HD13      ILE  34   4.505 -20.256  10.106
  301    H    HIS  35           HN       HIS  35   2.865 -16.650  13.078
  302    HA   HIS  35           HA       HIS  35   0.239 -15.745  13.083
  303    HB2  HIS  35           HB2      HIS  35   2.810 -14.319  13.796
  304    HB3  HIS  35           HB1      HIS  35   1.209 -13.657  14.124
  305    HD2  HIS  35           HD2      HIS  35   3.234 -14.701  16.616
  306    HE1  HIS  35           HE1      HIS  35   0.348 -17.758  17.010
  307    HE2  HIS  35           HE2      HIS  35   2.267 -16.563  18.169
  308    H    ASN  36           HN       ASN  36   3.049 -14.380  11.346
  309    HA   ASN  36           HA       ASN  36   1.573 -12.311  10.064
  310    HB2  ASN  36           HB2      ASN  36   3.999 -12.186  10.309
  311    HB3  ASN  36           HB1      ASN  36   4.194 -13.611   9.290
  312   HD21  ASN  36          HD21      ASN  36   5.477 -11.355   8.386
  313   HD22  ASN  36          HD22      ASN  36   4.649 -10.676   7.070
  314    H    SER  37           HN       SER  37   2.527 -15.577   9.090
  315    HA   SER  37           HA       SER  37   1.103 -15.331   6.541
  316    HB2  SER  37           HB2      SER  37   2.919 -17.427   7.716
  317    HB3  SER  37           HB1      SER  37   2.015 -17.683   6.225
  318    HG   SER  37           HG       SER  37   3.669 -16.698   5.363
  319    H    ASN  38           HN       ASN  38  -0.117 -15.514   9.351
  320    HA   ASN  38           HA       ASN  38  -1.349 -17.902   9.887
  321    HB2  ASN  38           HB2      ASN  38  -3.220 -16.606  10.818
  322    HB3  ASN  38           HB1      ASN  38  -1.676 -15.872  11.249
  323   HD21  ASN  38          HD21      ASN  38  -3.437 -13.975  11.472
  324   HD22  ASN  38          HD22      ASN  38  -3.607 -13.002  10.093
  325    H    ILE  39           HN       ILE  39  -3.297 -18.896   9.253
  326    HA   ILE  39           HA       ILE  39  -4.474 -19.849   7.473
  327    HB   ILE  39           HB       ILE  39  -6.363 -18.302   6.860
  328   HG12  ILE  39          HG12      ILE  39  -5.019 -16.514   8.856
  329   HG13  ILE  39          HG11      ILE  39  -4.920 -16.267   7.119
  330   HG21  ILE  39          HG21      ILE  39  -6.506 -19.826   8.776
  331   HG22  ILE  39          HG22      ILE  39  -7.265 -18.284   9.171
  332   HG23  ILE  39          HG23      ILE  39  -5.652 -18.654   9.780
  333   HD11  ILE  39          HD11      ILE  39  -7.488 -16.427   8.699
  334   HD12  ILE  39          HD12      ILE  39  -7.346 -16.098   6.974
  335   HD13  ILE  39          HD13      ILE  39  -6.742 -14.927   8.148
  336    H    LEU  40           HN       LEU  40  -2.219 -19.500   6.245
  337    HA   LEU  40           HA       LEU  40  -2.829 -17.991   3.762
  338    HB2  LEU  40           HB2      LEU  40  -0.886 -17.131   5.082
  339    HB3  LEU  40           HB1      LEU  40  -0.098 -18.690   4.849
  340    HG   LEU  40           HG       LEU  40  -0.254 -18.358   2.389
  341   HD11  LEU  40          HD11      LEU  40  -1.989 -16.939   1.866
  342   HD12  LEU  40          HD12      LEU  40  -0.679 -15.763   1.851
  343   HD13  LEU  40          HD13      LEU  40  -1.721 -15.905   3.267
  344   HD21  LEU  40          HD21      LEU  40   1.721 -17.606   3.818
  345   HD22  LEU  40          HD22      LEU  40   1.063 -15.974   3.708
  346   HD23  LEU  40          HD23      LEU  40   1.576 -16.818   2.247
  347    H    ASP  41           HN       ASP  41  -3.259 -19.228   2.084
  348    HA   ASP  41           HA       ASP  41  -3.318 -21.932   1.927
  349    HB2  ASP  41           HB2      ASP  41  -4.117 -20.266   0.198
  350    HB3  ASP  41           HB1      ASP  41  -2.462 -20.230  -0.409
  351    H    GLU  42           HN       GLU  42  -0.501 -19.992   1.974
  352    HA   GLU  42           HA       GLU  42   1.253 -21.956   0.788
  353    HB2  GLU  42           HB2      GLU  42   1.721 -19.539   0.621
  354    HB3  GLU  42           HB1      GLU  42   1.895 -19.461   2.373
  355    HG2  GLU  42           HG2      GLU  42   3.778 -21.012   2.301
  356    HG3  GLU  42           HG1      GLU  42   3.566 -21.231   0.565
  357    H    ARG  43           HN       ARG  43   0.943 -20.551   4.064
  358    HA   ARG  43           HA       ARG  43   2.564 -22.653   5.202
  359    HB2  ARG  43           HB2      ARG  43   1.183 -20.194   6.254
  360    HB3  ARG  43           HB1      ARG  43   1.721 -21.425   7.397
  361    HG2  ARG  43           HG2      ARG  43   3.604 -20.371   5.284
  362    HG3  ARG  43           HG1      ARG  43   3.360 -19.494   6.787
  363    HD2  ARG  43           HD2      ARG  43   3.968 -21.569   8.043
  364    HD3  ARG  43           HD1      ARG  43   4.350 -22.346   6.518
  365    HE   ARG  43           HE       ARG  43   5.892 -20.251   7.832
  366   HH11  ARG  43          HH21      ARG  43   5.229 -22.083   4.972
  367   HH12  ARG  43          HH22      ARG  43   6.786 -21.807   4.268
  368   HH21  ARG  43          HH11      ARG  43   7.929 -19.882   6.919
  369   HH22  ARG  43          HH12      ARG  43   8.319 -20.556   5.372
  370    H    GLN  44           HN       GLN  44  -0.793 -22.136   4.652
  371    HA   GLN  44           HA       GLN  44  -2.095 -23.488   6.632
  372    HB2  GLN  44           HB2      GLN  44  -2.516 -23.324   3.667
  373    HB3  GLN  44           HB1      GLN  44  -3.527 -24.427   4.598
  374    HG2  GLN  44           HG2      GLN  44  -4.262 -22.601   6.039
  375    HG3  GLN  44           HG1      GLN  44  -3.177 -21.479   5.226
  376   HE21  GLN  44          HE21      GLN  44  -4.538 -20.116   4.023
  377   HE22  GLN  44          HE22      GLN  44  -5.764 -20.663   2.983
  378    H    GLY  45           HN       GLY  45   0.015 -24.837   4.185
  379    HA2  GLY  45           HA2      GLY  45  -0.684 -27.576   4.675
  380    HA3  GLY  45           HA1      GLY  45   0.722 -26.999   3.785
  381    H    LEU  46           HN       LEU  46   1.782 -25.346   5.844
  382    HA   LEU  46           HA       LEU  46   3.341 -27.235   7.221
  383    HB2  LEU  46           HB2      LEU  46   3.881 -24.769   6.636
  384    HB3  LEU  46           HB1      LEU  46   3.031 -24.368   8.126
  385    HG   LEU  46           HG       LEU  46   5.157 -26.503   8.286
  386   HD11  LEU  46          HD11      LEU  46   6.265 -24.781   6.944
  387   HD12  LEU  46          HD12      LEU  46   6.907 -24.786   8.587
  388   HD13  LEU  46          HD13      LEU  46   5.760 -23.542   8.094
  389   HD21  LEU  46          HD21      LEU  46   4.334 -24.204  10.083
  390   HD22  LEU  46          HD22      LEU  46   5.560 -25.403  10.469
  391   HD23  LEU  46          HD23      LEU  46   3.877 -25.890  10.297
  392    H    MET  47           HN       MET  47   0.513 -25.369   8.162
  393    HA   MET  47           HA       MET  47   0.414 -25.638  10.872
  394    HB2  MET  47           HB2      MET  47  -1.712 -25.793   8.752
  395    HB3  MET  47           HB1      MET  47  -2.153 -26.059  10.435
  396    HG2  MET  47           HG2      MET  47  -2.431 -23.693   9.816
  397    HG3  MET  47           HG1      MET  47  -1.188 -23.880  11.047
  398    HE1  MET  47           HE1      MET  47  -1.147 -21.373  10.065
  399    HE2  MET  47           HE2      MET  47  -1.853 -21.567   8.463
  400    HE3  MET  47           HE3      MET  47  -0.228 -20.905   8.628
  401    H    HIS  48           HN       HIS  48  -0.152 -28.175   8.482
  402    HA   HIS  48           HA       HIS  48  -1.175 -30.143  10.219
  403    HB2  HIS  48           HB2      HIS  48   0.397 -30.312   7.645
  404    HB3  HIS  48           HB1      HIS  48  -0.205 -31.743   8.484
  405    HD2  HIS  48           HD2      HIS  48  -2.931 -32.238   8.128
  406    HE1  HIS  48           HE1      HIS  48  -3.854 -28.685   6.042
  407    HE2  HIS  48           HE2      HIS  48  -4.764 -30.928   6.809
  408    H    GLU  49           HN       GLU  49   2.153 -29.316   9.303
  409    HA   GLU  49           HA       GLU  49   3.307 -31.394  10.929
  410    HB2  GLU  49           HB2      GLU  49   4.512 -28.991   9.547
  411    HB3  GLU  49           HB1      GLU  49   5.453 -30.191  10.434
  412    HG2  GLU  49           HG2      GLU  49   4.624 -31.965   8.965
  413    HG3  GLU  49           HG1      GLU  49   3.618 -30.804   8.103
  414    H    LEU  50           HN       LEU  50   2.530 -27.994  11.322
  415    HA   LEU  50           HA       LEU  50   4.108 -27.376  13.527
  416    HB2  LEU  50           HB2      LEU  50   2.373 -25.968  12.086
  417    HB3  LEU  50           HB1      LEU  50   1.268 -26.388  13.387
  418    HG   LEU  50           HG       LEU  50   2.290 -24.248  13.897
  419   HD11  LEU  50          HD11      LEU  50   3.006 -24.692  16.095
  420   HD12  LEU  50          HD12      LEU  50   3.758 -26.216  15.637
  421   HD13  LEU  50          HD13      LEU  50   1.999 -26.084  15.693
  422   HD21  LEU  50          HD21      LEU  50   5.061 -25.279  14.185
  423   HD22  LEU  50          HD22      LEU  50   4.487 -23.732  13.568
  424   HD23  LEU  50          HD23      LEU  50   4.497 -25.141  12.521
  425    H    MET  51           HN       MET  51   0.874 -28.855  13.420
  426    HA   MET  51           HA       MET  51   0.556 -29.074  16.220
  427    HB2  MET  51           HB2      MET  51  -1.301 -29.281  14.608
  428    HB3  MET  51           HB1      MET  51  -0.619 -30.802  14.035
  429    HG2  MET  51           HG2      MET  51  -0.877 -31.798  16.251
  430    HG3  MET  51           HG1      MET  51  -1.451 -30.262  16.898
  431    HE1  MET  51           HE1      MET  51  -2.299 -33.561  15.397
  432    HE2  MET  51           HE2      MET  51  -1.994 -32.686  13.899
  433    HE3  MET  51           HE3      MET  51  -3.615 -33.277  14.251
  434    H    GLU  52           HN       GLU  52   1.985 -31.223  13.801
  435    HA   GLU  52           HA       GLU  52   2.320 -33.498  15.412
  436    HB2  GLU  52           HB2      GLU  52   3.943 -32.468  13.078
  437    HB3  GLU  52           HB1      GLU  52   4.147 -34.067  13.792
  438    HG2  GLU  52           HG2      GLU  52   1.854 -34.658  13.266
  439    HG3  GLU  52           HG1      GLU  52   1.524 -33.022  12.698
  440    H    LEU  53           HN       LEU  53   4.606 -30.839  14.731
  441    HA   LEU  53           HA       LEU  53   6.672 -31.806  16.399
  442    HB2  LEU  53           HB2      LEU  53   5.989 -29.188  15.122
  443    HB3  LEU  53           HB1      LEU  53   7.227 -29.185  16.372
  444    HG   LEU  53           HG       LEU  53   8.104 -29.478  14.017
  445   HD11  LEU  53          HD11      LEU  53   9.840 -30.819  14.719
  446   HD12  LEU  53          HD12      LEU  53   8.784 -32.019  15.456
  447   HD13  LEU  53          HD13      LEU  53   9.108 -30.501  16.287
  448   HD21  LEU  53          HD21      LEU  53   7.042 -32.300  14.164
  449   HD22  LEU  53          HD22      LEU  53   7.656 -31.421  12.768
  450   HD23  LEU  53          HD23      LEU  53   6.087 -31.013  13.441
  451    H    ILE  54           HN       ILE  54   4.010 -29.547  17.021
  452    HA   ILE  54           HA       ILE  54   4.809 -28.887  19.643
  453    HB   ILE  54           HB       ILE  54   2.117 -28.850  18.302
  454   HG12  ILE  54          HG12      ILE  54   4.136 -27.301  17.650
  455   HG13  ILE  54          HG11      ILE  54   2.547 -26.599  17.879
  456   HG21  ILE  54          HG21      ILE  54   1.542 -29.000  20.578
  457   HG22  ILE  54          HG22      ILE  54   1.581 -27.263  20.278
  458   HG23  ILE  54          HG23      ILE  54   2.936 -28.047  21.090
  459   HD11  ILE  54          HD11      ILE  54   3.111 -25.609  19.920
  460   HD12  ILE  54          HD12      ILE  54   4.605 -25.448  18.999
  461   HD13  ILE  54          HD13      ILE  54   4.449 -26.720  20.204
  462    H    ASP  55           HN       ASP  55   2.674 -31.409  18.373
  463    HA   ASP  55           HA       ASP  55   1.746 -32.398  20.814
  464    HB2  ASP  55           HB2      ASP  55   0.928 -32.977  18.479
  465    HB3  ASP  55           HB1      ASP  55   2.309 -34.065  18.360
  466    H    LEU  56           HN       LEU  56   4.564 -33.331  18.863
  467    HA   LEU  56           HA       LEU  56   5.437 -35.328  20.667
  468    HB2  LEU  56           HB2      LEU  56   6.914 -33.793  18.530
  469    HB3  LEU  56           HB1      LEU  56   7.594 -35.166  19.402
  470    HG   LEU  56           HG       LEU  56   5.008 -35.264  17.821
  471   HD11  LEU  56          HD11      LEU  56   6.278 -36.418  16.088
  472   HD12  LEU  56          HD12      LEU  56   7.755 -36.287  17.043
  473   HD13  LEU  56          HD13      LEU  56   6.995 -34.836  16.389
  474   HD21  LEU  56          HD21      LEU  56   4.849 -37.069  19.286
  475   HD22  LEU  56          HD22      LEU  56   6.596 -37.268  19.411
  476   HD23  LEU  56          HD23      LEU  56   5.744 -37.824  17.973
  477    H    TYR  57           HN       TYR  57   6.282 -31.932  20.236
  478    HA   TYR  57           HA       TYR  57   8.364 -31.851  22.156
  479    HB2  TYR  57           HB2      TYR  57   6.650 -29.808  20.773
  480    HB3  TYR  57           HB1      TYR  57   7.633 -29.297  22.144
  481    HD1  TYR  57           HD2      TYR  57   8.298 -31.820  19.427
  482    HD2  TYR  57           HD1      TYR  57   9.481 -28.131  21.289
  483    HE1  TYR  57           HE2      TYR  57  10.303 -31.733  17.982
  484    HE2  TYR  57           HE1      TYR  57  11.488 -28.049  19.836
  485    HH   TYR  57           HH       TYR  57  11.885 -30.139  17.133
  486    H    GLU  58           HN       GLU  58   4.876 -31.409  22.366
  487    HA   GLU  58           HA       GLU  58   4.788 -30.399  24.994
  488    HB2  GLU  58           HB2      GLU  58   2.826 -31.825  23.231
  489    HB3  GLU  58           HB1      GLU  58   2.419 -31.516  24.916
  490    HG2  GLU  58           HG2      GLU  58   2.767 -29.127  24.611
  491    HG3  GLU  58           HG1      GLU  58   3.324 -29.382  22.962
  492    H    GLU  59           HN       GLU  59   4.819 -33.700  23.736
  493    HA   GLU  59           HA       GLU  59   4.662 -34.814  26.433
  494    HB2  GLU  59           HB2      GLU  59   3.562 -35.787  24.280
  495    HB3  GLU  59           HB1      GLU  59   5.172 -36.418  23.932
  496    HG2  GLU  59           HG2      GLU  59   4.063 -38.147  25.147
  497    HG3  GLU  59           HG1      GLU  59   5.145 -37.378  26.308
  498    H    SER  60           HN       SER  60   7.072 -33.774  24.231
  499    HA   SER  60           HA       SER  60   9.134 -35.600  24.631
  500    HB2  SER  60           HB2      SER  60   9.208 -32.613  24.204
  501    HB3  SER  60           HB1      SER  60  10.652 -33.620  24.202
  502    HG   SER  60           HG       SER  60  10.160 -33.976  22.197
  503    H    GLN  61           HN       GLN  61   8.768 -32.498  26.386
  504    HA   GLN  61           HA       GLN  61  10.315 -33.673  28.626
  505    HB2  GLN  61           HB2      GLN  61  10.727 -31.277  27.196
  506    HB3  GLN  61           HB1      GLN  61  10.079 -30.761  28.747
  507    HG2  GLN  61           HG2      GLN  61  11.798 -32.122  29.905
  508    HG3  GLN  61           HG1      GLN  61  12.457 -32.600  28.339
  509   HE21  GLN  61          HE21      GLN  61  13.721 -31.066  27.174
  510   HE22  GLN  61          HE22      GLN  61  14.148 -29.554  27.814
  511    HA   PRO  62           HA       PRO  62   6.571 -31.796  30.704
  512    HB2  PRO  62           HB2      PRO  62   4.844 -30.214  29.320
  513    HB3  PRO  62           HB1      PRO  62   6.426 -29.627  29.868
  514    HG2  PRO  62           HG2      PRO  62   5.530 -30.259  27.142
  515    HG3  PRO  62           HG1      PRO  62   6.880 -29.254  27.673
  516    HD2  PRO  62           HD2      PRO  62   6.979 -32.045  26.769
  517    HD3  PRO  62           HD1      PRO  62   8.319 -30.962  27.189
  518    H    SER  63           HN       SER  63   6.332 -34.224  30.091
  519    HA   SER  63           HA       SER  63   3.879 -34.901  28.666
  520    HB2  SER  63           HB2      SER  63   4.520 -37.207  29.093
  521    HB3  SER  63           HB1      SER  63   5.921 -36.329  28.488
  522    HG   SER  63           HG       SER  63   6.815 -36.375  30.448
  523    H    SER  64           HN       SER  64   4.608 -33.693  31.639
  524    HA   SER  64           HA       SER  64   2.985 -35.359  33.324
  525    HB2  SER  64           HB2      SER  64   3.212 -33.454  34.944
  526    HB3  SER  64           HB1      SER  64   4.747 -34.088  34.358
  527    HG   SER  64           HG       SER  64   5.090 -32.281  33.298
  528    H    GLU  65           HN       GLU  65   1.774 -34.254  30.849
  529    HA   GLU  65           HA       GLU  65  -0.308 -33.554  30.174
  530    HB2  GLU  65           HB2      GLU  65  -0.977 -34.904  32.251
  531    HB3  GLU  65           HB1      GLU  65  -1.074 -33.359  33.089
  532    HG2  GLU  65           HG2      GLU  65  -2.731 -32.547  31.487
  533    HG3  GLU  65           HG1      GLU  65  -2.595 -34.041  30.563
  534    H    ARG  66           HN       ARG  66   1.816 -31.780  31.970
  535    HA   ARG  66           HA       ARG  66   0.421 -29.397  32.526
  536    HB2  ARG  66           HB2      ARG  66   3.337 -29.968  31.988
  537    HB3  ARG  66           HB1      ARG  66   2.746 -28.371  32.444
  538    HG2  ARG  66           HG2      ARG  66   1.961 -30.745  34.128
  539    HG3  ARG  66           HG1      ARG  66   3.580 -30.074  34.304
  540    HD2  ARG  66           HD2      ARG  66   1.052 -28.412  34.503
  541    HD3  ARG  66           HD1      ARG  66   1.893 -29.095  35.889
  542    HE   ARG  66           HE       ARG  66   3.785 -27.682  34.404
  543   HH11  ARG  66          HH21      ARG  66   0.837 -27.108  36.114
  544   HH12  ARG  66          HH22      ARG  66   1.267 -25.500  36.594
  545   HH21  ARG  66          HH11      ARG  66   4.360 -25.580  35.022
  546   HH22  ARG  66          HH12      ARG  66   3.266 -24.634  35.976
  547    H    LEU  67           HN       LEU  67   1.556 -30.762  29.592
  548    HA   LEU  67           HA       LEU  67   2.062 -28.615  27.962
  549    HB2  LEU  67           HB2      LEU  67   1.171 -29.977  26.106
  550    HB3  LEU  67           HB1      LEU  67   2.233 -30.897  27.169
  551    HG   LEU  67           HG       LEU  67  -0.232 -31.318  28.373
  552   HD11  LEU  67          HD11      LEU  67  -1.803 -31.923  26.567
  553   HD12  LEU  67          HD12      LEU  67  -0.677 -31.288  25.369
  554   HD13  LEU  67          HD13      LEU  67  -1.432 -30.198  26.533
  555   HD21  LEU  67          HD21      LEU  67  -0.150 -33.559  27.328
  556   HD22  LEU  67          HD22      LEU  67   1.447 -33.050  27.878
  557   HD23  LEU  67          HD23      LEU  67   1.038 -32.971  26.165
  558    H    ASN  68           HN       ASN  68  -0.857 -29.384  29.572
  559    HA   ASN  68           HA       ASN  68  -2.884 -28.447  27.990
  560    HB2  ASN  68           HB2      ASN  68  -3.253 -29.302  30.257
  561    HB3  ASN  68           HB1      ASN  68  -2.479 -27.872  30.936
  562   HD21  ASN  68          HD21      ASN  68  -5.467 -29.073  30.648
  563   HD22  ASN  68          HD22      ASN  68  -6.357 -27.657  30.356
  564    H    ALA  69           HN       ALA  69  -0.403 -26.586  29.644
  565    HA   ALA  69           HA       ALA  69  -1.538 -24.015  29.238
  566    HB1  ALA  69           HB1      ALA  69   0.854 -23.239  29.540
  567    HB2  ALA  69           HB2      ALA  69   1.313 -24.938  29.650
  568    HB3  ALA  69           HB3      ALA  69   0.224 -24.239  30.849
  569    H    PHE  70           HN       PHE  70   0.566 -26.088  27.307
  570    HA   PHE  70           HA       PHE  70   0.883 -24.103  25.197
  571    HB2  PHE  70           HB2      PHE  70   1.779 -26.974  25.518
  572    HB3  PHE  70           HB1      PHE  70   2.041 -26.051  24.038
  573    HD1  PHE  70           HD2      PHE  70   3.545 -24.116  23.999
  574    HD2  PHE  70           HD1      PHE  70   2.953 -26.409  27.583
  575    HE1  PHE  70           HE2      PHE  70   5.539 -23.045  25.014
  576    HE2  PHE  70           HE1      PHE  70   4.947 -25.339  28.598
  577    HZ   PHE  70           HZ       PHE  70   6.240 -23.657  27.314
  578    H    ARG  71           HN       ARG  71  -1.322 -26.573  26.064
  579    HA   ARG  71           HA       ARG  71  -2.228 -27.416  23.544
  580    HB2  ARG  71           HB2      ARG  71  -2.883 -28.518  25.638
  581    HB3  ARG  71           HB1      ARG  71  -3.827 -27.100  26.087
  582    HG2  ARG  71           HG2      ARG  71  -5.268 -27.399  24.140
  583    HG3  ARG  71           HG1      ARG  71  -4.283 -28.757  23.591
  584    HD2  ARG  71           HD2      ARG  71  -5.713 -28.678  26.260
  585    HD3  ARG  71           HD1      ARG  71  -6.374 -29.443  24.817
  586    HE   ARG  71           HE       ARG  71  -3.844 -30.529  25.162
  587   HH11  ARG  71          HH21      ARG  71  -6.786 -30.253  26.963
  588   HH12  ARG  71          HH22      ARG  71  -6.577 -31.757  27.797
  589   HH21  ARG  71          HH11      ARG  71  -3.565 -32.502  26.251
  590   HH22  ARG  71          HH12      ARG  71  -4.754 -33.030  27.394
  591    H    GLU  72           HN       GLU  72  -3.076 -24.614  25.535
  592    HA   GLU  72           HA       GLU  72  -5.284 -23.618  24.251
  593    HB2  GLU  72           HB2      GLU  72  -2.851 -22.113  25.235
  594    HB3  GLU  72           HB1      GLU  72  -4.372 -21.343  24.784
  595    HG2  GLU  72           HG2      GLU  72  -4.150 -23.531  26.860
  596    HG3  GLU  72           HG1      GLU  72  -4.149 -21.812  27.253
  597    H    LEU  73           HN       LEU  73  -1.895 -23.330  23.262
  598    HA   LEU  73           HA       LEU  73  -2.420 -21.846  20.893
  599    HB2  LEU  73           HB2      LEU  73  -0.186 -21.841  21.881
  600    HB3  LEU  73           HB1      LEU  73  -0.051 -23.583  21.652
  601    HG   LEU  73           HG       LEU  73  -0.144 -23.307  19.216
  602   HD11  LEU  73          HD11      LEU  73   0.049 -20.801  18.427
  603   HD12  LEU  73          HD12      LEU  73  -0.749 -20.450  19.955
  604   HD13  LEU  73          HD13      LEU  73  -1.536 -21.483  18.765
  605   HD21  LEU  73          HD21      LEU  73   1.996 -22.215  18.879
  606   HD22  LEU  73          HD22      LEU  73   2.045 -23.065  20.425
  607   HD23  LEU  73          HD23      LEU  73   1.822 -21.316  20.388
  608    H    ARG  74           HN       ARG  74  -2.128 -25.275  21.644
  609    HA   ARG  74           HA       ARG  74  -2.123 -26.292  19.026
  610    HB2  ARG  74           HB2      ARG  74  -1.593 -27.636  21.045
  611    HB3  ARG  74           HB1      ARG  74  -3.294 -27.575  21.504
  612    HG2  ARG  74           HG2      ARG  74  -3.934 -28.707  19.453
  613    HG3  ARG  74           HG1      ARG  74  -2.258 -28.716  18.904
  614    HD2  ARG  74           HD2      ARG  74  -2.782 -30.892  19.849
  615    HD3  ARG  74           HD1      ARG  74  -1.661 -30.060  20.924
  616    HE   ARG  74           HE       ARG  74  -3.364 -29.893  22.519
  617   HH11  ARG  74          HH21      ARG  74  -4.558 -30.965  19.452
  618   HH12  ARG  74          HH22      ARG  74  -6.120 -31.406  20.056
  619   HH21  ARG  74          HH11      ARG  74  -5.414 -30.467  23.320
  620   HH22  ARG  74          HH12      ARG  74  -6.604 -31.125  22.247
  621    H    THR  75           HN       THR  75  -4.713 -25.307  21.173
  622    HA   THR  75           HA       THR  75  -6.885 -26.307  19.727
  623    HB   THR  75           HB       THR  75  -6.706 -23.843  21.394
  624    HG1  THR  75           HG1      THR  75  -6.239 -25.541  22.666
  625   HG21  THR  75          HG21      THR  75  -9.047 -25.437  20.383
  626   HG22  THR  75          HG22      THR  75  -8.686 -23.749  20.031
  627   HG23  THR  75          HG23      THR  75  -9.170 -24.227  21.657
  628    H    GLN  76           HN       GLN  76  -5.143 -23.235  19.499
  629    HA   GLN  76           HA       GLN  76  -6.769 -22.030  17.537
  630    HB2  GLN  76           HB2      GLN  76  -3.816 -21.697  18.126
  631    HB3  GLN  76           HB1      GLN  76  -4.748 -20.635  17.070
  632    HG2  GLN  76           HG2      GLN  76  -5.516 -21.180  19.946
  633    HG3  GLN  76           HG1      GLN  76  -4.493 -19.827  19.468
  634   HE21  GLN  76          HE21      GLN  76  -5.511 -17.990  18.541
  635   HE22  GLN  76          HE22      GLN  76  -7.185 -17.885  18.280
  636    H    LEU  77           HN       LEU  77  -3.737 -23.877  17.215
  637    HA   LEU  77           HA       LEU  77  -3.695 -23.863  14.384
  638    HB2  LEU  77           HB2      LEU  77  -2.366 -25.488  16.527
  639    HB3  LEU  77           HB1      LEU  77  -2.234 -26.025  14.857
  640    HG   LEU  77           HG       LEU  77  -0.351 -24.522  15.641
  641   HD11  LEU  77          HD11      LEU  77  -1.753 -23.020  13.455
  642   HD12  LEU  77          HD12      LEU  77  -1.382 -24.721  13.179
  643   HD13  LEU  77          HD13      LEU  77  -0.089 -23.589  13.549
  644   HD21  LEU  77          HD21      LEU  77  -2.359 -22.273  15.441
  645   HD22  LEU  77          HD22      LEU  77  -0.728 -22.236  16.110
  646   HD23  LEU  77          HD23      LEU  77  -2.015 -23.067  16.975
  647    H    GLU  78           HN       GLU  78  -5.030 -26.117  16.749
  648    HA   GLU  78           HA       GLU  78  -5.818 -28.118  14.924
  649    HB2  GLU  78           HB2      GLU  78  -5.736 -28.425  17.383
  650    HB3  GLU  78           HB1      GLU  78  -7.113 -27.336  17.550
  651    HG2  GLU  78           HG2      GLU  78  -8.494 -28.844  16.189
  652    HG3  GLU  78           HG1      GLU  78  -7.118 -29.922  15.968
  653    H    LYS  79           HN       LYS  79  -7.520 -25.280  16.215
  654    HA   LYS  79           HA       LYS  79  -9.950 -25.764  14.817
  655    HB2  LYS  79           HB2      LYS  79  -9.736 -24.321  16.841
  656    HB3  LYS  79           HB1      LYS  79  -8.877 -23.134  15.861
  657    HG2  LYS  79           HG2      LYS  79 -10.823 -22.962  14.351
  658    HG3  LYS  79           HG1      LYS  79 -11.690 -24.138  15.335
  659    HD2  LYS  79           HD2      LYS  79 -10.589 -21.590  16.526
  660    HD3  LYS  79           HD1      LYS  79 -12.178 -21.640  15.768
  661    HE2  LYS  79           HE2      LYS  79 -12.759 -23.556  17.321
  662    HE3  LYS  79           HE1      LYS  79 -11.247 -23.239  18.168
  663    HZ1  LYS  79           HZ1      LYS  79 -13.270 -22.110  19.092
  664    HZ2  LYS  79           HZ2      LYS  79 -13.280 -21.141  17.696
  665    HZ3  LYS  79           HZ3      LYS  79 -11.954 -21.093  18.757
  666    H    ALA  80           HN       ALA  80  -7.098 -23.764  14.199
  667    HA   ALA  80           HA       ALA  80  -8.049 -22.565  11.832
  668    HB1  ALA  80           HB1      ALA  80  -5.600 -22.170  11.358
  669    HB2  ALA  80           HB2      ALA  80  -5.244 -23.085  12.821
  670    HB3  ALA  80           HB3      ALA  80  -6.152 -21.577  12.926
  671    H    LEU  81           HN       LEU  81  -6.812 -25.699  12.541
  672    HA   LEU  81           HA       LEU  81  -5.826 -26.416  10.001
  673    HB2  LEU  81           HB2      LEU  81  -5.818 -27.653  12.390
  674    HB3  LEU  81           HB1      LEU  81  -7.191 -28.492  11.684
  675    HG   LEU  81           HG       LEU  81  -5.204 -29.773  11.183
  676   HD11  LEU  81          HD11      LEU  81  -5.758 -28.288   8.614
  677   HD12  LEU  81          HD12      LEU  81  -6.994 -29.299   9.363
  678   HD13  LEU  81          HD13      LEU  81  -5.464 -30.009   8.856
  679   HD21  LEU  81          HD21      LEU  81  -3.175 -28.884  10.593
  680   HD22  LEU  81          HD22      LEU  81  -3.824 -27.403  11.280
  681   HD23  LEU  81          HD23      LEU  81  -3.881 -27.662   9.539
  682    H    GLY  82           HN       GLY  82  -9.055 -26.563  11.432
  683    HA2  GLY  82           HA2      GLY  82 -10.313 -27.949   9.309
  684    HA3  GLY  82           HA1      GLY  82 -11.127 -26.926  10.490
  685    H    LEU  83           HN       LEU  83  -8.639 -25.248   8.978
  686    HA   LEU  83           HA       LEU  83  -8.570 -23.541   7.457
  687    HB2  LEU  83           HB2      LEU  83 -10.771 -25.085   6.067
  688    HB3  LEU  83           HB1      LEU  83  -9.703 -23.886   5.343
  689    HG   LEU  83           HG       LEU  83  -8.790 -26.501   6.583
  690   HD11  LEU  83          HD11      LEU  83  -8.467 -27.301   4.342
  691   HD12  LEU  83          HD12      LEU  83  -8.829 -25.717   3.658
  692   HD13  LEU  83          HD13      LEU  83 -10.109 -26.662   4.420
  693   HD21  LEU  83          HD21      LEU  83  -6.672 -25.790   5.199
  694   HD22  LEU  83          HD22      LEU  83  -6.950 -25.047   6.771
  695   HD23  LEU  83          HD23      LEU  83  -7.365 -24.170   5.298
  696    H    GLU  84           HN       GLU  84  -9.999 -22.997   9.726
  697    HA   GLU  84           HA       GLU  84 -12.630 -22.045   9.269
  698    HB2  GLU  84           HB2      GLU  84 -11.655 -22.479  11.526
  699    HB3  GLU  84           HB1      GLU  84 -10.628 -21.060  11.316
  700    HG2  GLU  84           HG2      GLU  84 -12.628 -19.642  11.050
  701    HG3  GLU  84           HG1      GLU  84 -13.659 -21.057  11.249
  702    H    HIS  85           HN       HIS  85 -13.391 -20.044   8.690
  703    HA   HIS  85           HA       HIS  85 -13.383 -18.100   7.450
  704    HB2  HIS  85           HB2      HIS  85 -12.655 -17.325   9.714
  705    HB3  HIS  85           HB1      HIS  85 -10.979 -17.487   9.186
  706    HD2  HIS  85           HD2      HIS  85 -14.157 -15.331   8.142
  707    HE1  HIS  85           HE1      HIS  85 -10.660 -13.352   6.847
  708    HE2  HIS  85           HE2      HIS  85 -13.188 -13.183   7.020
  709    H    HIS  86           HN       HIS  86 -12.815 -19.068   5.448
  710    HA   HIS  86           HA       HIS  86 -10.100 -19.428   4.632
  711    HB2  HIS  86           HB2      HIS  86 -11.035 -19.807   2.412
  712    HB3  HIS  86           HB1      HIS  86 -12.003 -20.655   3.617
  713    HD2  HIS  86           HD2      HIS  86 -12.433 -17.875   0.953
  714    HE1  HIS  86           HE1      HIS  86 -16.027 -18.033   3.165
  715    HE2  HIS  86           HE2      HIS  86 -14.909 -17.060   1.102
  716    H    HIS  87           HN       HIS  87  -8.837 -18.153   3.275
  717    HA   HIS  87           HA       HIS  87  -9.135 -15.335   3.575
  718    HB2  HIS  87           HB2      HIS  87  -7.119 -15.161   2.261
  719    HB3  HIS  87           HB1      HIS  87  -6.943 -16.538   3.348
  720    HD2  HIS  87           HD2      HIS  87  -7.547 -19.115   1.974
  721    HE1  HIS  87           HE1      HIS  87  -6.551 -17.548  -1.818
  722    HE2  HIS  87           HE2      HIS  87  -6.999 -19.681  -0.515
  723    H    HIS  88           HN       HIS  88  -9.858 -13.796   2.177
  724    HA   HIS  88           HA       HIS  88 -11.740 -14.529   0.186
  725    HB2  HIS  88           HB2      HIS  88 -11.921 -12.418   1.397
  726    HB3  HIS  88           HB1      HIS  88 -10.388 -11.872   0.716
  727    HD2  HIS  88           HD2      HIS  88 -10.673 -10.559  -1.704
  728    HE1  HIS  88           HE1      HIS  88 -14.580 -11.868  -2.625
  729    HE2  HIS  88           HE2      HIS  88 -12.673 -10.367  -3.373
  730    H    HIS  89           HN       HIS  89  -9.251 -12.203  -0.639
  731    HA   HIS  89           HA       HIS  89  -8.148 -11.913  -2.650
  732    HB2  HIS  89           HB2      HIS  89  -7.288 -14.668  -1.754
  733    HB3  HIS  89           HB1      HIS  89  -6.503 -13.777  -3.059
  734    HD2  HIS  89           HD2      HIS  89  -5.828 -14.231   0.547
  735    HE1  HIS  89           HE1      HIS  89  -4.783 -10.199  -0.140
  736    HE2  HIS  89           HE2      HIS  89  -4.593 -12.133   1.494
  737    H    HIS  90           HN       HIS  90  -7.360 -13.605  -4.664
  738    HA   HIS  90           HA       HIS  90  -9.654 -13.735  -6.286
  739    HB2  HIS  90           HB2      HIS  90  -6.995 -15.156  -6.597
  740    HB3  HIS  90           HB1      HIS  90  -8.228 -15.040  -7.851
  741    HD2  HIS  90           HD2      HIS  90  -8.551 -11.679  -6.478
  742    HE1  HIS  90           HE1      HIS  90  -5.139 -11.317  -8.940
  743    HE2  HIS  90           HE2      HIS  90  -6.921 -10.025  -7.671
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  -8.558 -11.616  10.141
    2    H2   MET   1           HT2      MET   1  -8.671 -13.294   9.889
    3    H3   MET   1           HT3      MET   1  -7.232 -12.469   9.516
    4    HA   MET   1           HA       MET   1  -7.269 -11.818  12.008
    5    HB2  MET   1           HB2      MET   1  -8.968 -14.331  11.882
    6    HB3  MET   1           HB1      MET   1  -8.271 -13.664  13.358
    7    HG2  MET   1           HG2      MET   1 -10.155 -12.154  11.524
    8    HG3  MET   1           HG1      MET   1 -10.655 -12.975  13.001
    9    HE1  MET   1           HE1      MET   1  -9.446 -10.952  15.871
   10    HE2  MET   1           HE2      MET   1  -8.707 -12.440  15.287
   11    HE3  MET   1           HE3      MET   1 -10.456 -12.247  15.214
   12    H    GLY   2           HN       GLY   2  -5.121 -12.137  11.981
   13    HA2  GLY   2           HA2      GLY   2  -3.928 -14.540  10.901
   14    HA3  GLY   2           HA1      GLY   2  -3.076 -13.184  11.634
   15    H    VAL   3           HN       VAL   3  -1.780 -14.268  13.061
   16    HA   VAL   3           HA       VAL   3  -3.153 -15.746  15.242
   17    HB   VAL   3           HB       VAL   3  -1.994 -17.380  13.867
   18   HG11  VAL   3          HG11      VAL   3   0.333 -17.199  13.304
   19   HG12  VAL   3          HG12      VAL   3   0.539 -15.796  14.351
   20   HG13  VAL   3          HG13      VAL   3  -0.410 -15.659  12.873
   21   HG21  VAL   3          HG21      VAL   3  -0.201 -16.843  16.244
   22   HG22  VAL   3          HG22      VAL   3  -0.679 -18.400  15.566
   23   HG23  VAL   3          HG23      VAL   3  -1.856 -17.421  16.441
   24    H    TRP   4           HN       TRP   4  -2.682 -15.085  17.228
   25    HA   TRP   4           HA       TRP   4  -0.517 -13.083  17.566
   26    HB2  TRP   4           HB2      TRP   4  -2.908 -13.492  19.359
   27    HB3  TRP   4           HB1      TRP   4  -1.806 -12.112  19.309
   28    HD1  TRP   4           HD1      TRP   4  -4.927 -13.478  17.756
   29    HE1  TRP   4           HE1      TRP   4  -5.774 -11.880  15.919
   30    HE3  TRP   4           HE3      TRP   4  -0.907 -10.349  17.383
   31    HZ2  TRP   4           HZ2      TRP   4  -4.867  -9.579  14.481
   32    HZ3  TRP   4           HZ3      TRP   4  -0.925  -8.465  15.774
   33    HH2  TRP   4           HH2      TRP   4  -2.898  -8.076  14.323
   34    H    THR   5           HN       THR   5   1.219 -14.120  18.299
   35    HA   THR   5           HA       THR   5   1.210 -15.220  20.915
   36    HB   THR   5           HB       THR   5   2.005 -17.249  18.833
   37    HG1  THR   5           HG1      THR   5  -0.403 -17.715  19.948
   38   HG21  THR   5          HG21      THR   5   0.870 -17.650  21.599
   39   HG22  THR   5          HG22      THR   5   2.591 -17.367  21.338
   40   HG23  THR   5          HG23      THR   5   1.813 -18.785  20.633
   41    HA   PRO   6           HA       PRO   6   5.261 -13.825  18.926
   42    HB2  PRO   6           HB2      PRO   6   5.416 -11.259  19.800
   43    HB3  PRO   6           HB1      PRO   6   4.546 -11.701  18.316
   44    HG2  PRO   6           HG2      PRO   6   3.462 -11.139  21.033
   45    HG3  PRO   6           HG1      PRO   6   2.848 -10.625  19.459
   46    HD2  PRO   6           HD2      PRO   6   1.810 -12.759  20.862
   47    HD3  PRO   6           HD1      PRO   6   1.758 -12.613  19.090
   48    H    GLU   7           HN       GLU   7   7.163 -12.725  20.249
   49    HA   GLU   7           HA       GLU   7   7.855 -14.277  22.417
   50    HB2  GLU   7           HB2      GLU   7   8.660 -11.425  21.796
   51    HB3  GLU   7           HB1      GLU   7   9.444 -12.433  23.013
   52    HG2  GLU   7           HG2      GLU   7  10.036 -14.086  21.312
   53    HG3  GLU   7           HG1      GLU   7   9.176 -13.160  20.083
   54    H    VAL   8           HN       VAL   8   5.515 -11.775  22.325
   55    HA   VAL   8           HA       VAL   8   5.629 -10.732  24.924
   56    HB   VAL   8           HB       VAL   8   3.163 -11.301  23.263
   57   HG11  VAL   8          HG11      VAL   8   2.547 -10.797  25.534
   58   HG12  VAL   8          HG12      VAL   8   2.246  -9.357  24.562
   59   HG13  VAL   8          HG13      VAL   8   3.674  -9.442  25.594
   60   HG21  VAL   8          HG21      VAL   8   5.051  -9.911  22.204
   61   HG22  VAL   8          HG22      VAL   8   4.707  -8.704  23.445
   62   HG23  VAL   8          HG23      VAL   8   3.461  -9.151  22.279
   63    H    LEU   9           HN       LEU   9   3.838 -13.547  23.662
   64    HA   LEU   9           HA       LEU   9   2.748 -14.306  26.167
   65    HB2  LEU   9           HB2      LEU   9   1.808 -15.157  24.069
   66    HB3  LEU   9           HB1      LEU   9   3.318 -15.992  23.713
   67    HG   LEU   9           HG       LEU   9   3.038 -17.404  25.704
   68   HD11  LEU   9          HD11      LEU   9   0.637 -17.231  26.777
   69   HD12  LEU   9          HD12      LEU   9   0.700 -15.569  26.190
   70   HD13  LEU   9          HD13      LEU   9   1.917 -16.152  27.326
   71   HD21  LEU   9          HD21      LEU   9   0.524 -17.290  24.012
   72   HD22  LEU   9          HD22      LEU   9   1.079 -18.680  24.946
   73   HD23  LEU   9          HD23      LEU   9   2.021 -18.109  23.568
   74    H    LYS  10           HN       LYS  10   5.708 -15.172  24.437
   75    HA   LYS  10           HA       LYS  10   6.614 -17.184  26.187
   76    HB2  LYS  10           HB2      LYS  10   7.603 -16.809  23.973
   77    HB3  LYS  10           HB1      LYS  10   8.209 -15.242  24.500
   78    HG2  LYS  10           HG2      LYS  10   9.634 -16.286  26.158
   79    HG3  LYS  10           HG1      LYS  10   8.957 -17.873  25.783
   80    HD2  LYS  10           HD2      LYS  10   9.937 -17.905  23.623
   81    HD3  LYS  10           HD1      LYS  10  10.285 -16.175  23.665
   82    HE2  LYS  10           HE2      LYS  10  11.951 -16.462  25.337
   83    HE3  LYS  10           HE1      LYS  10  11.498 -18.143  25.604
   84    HZ1  LYS  10           HZ1      LYS  10  12.100 -17.714  22.880
   85    HZ2  LYS  10           HZ2      LYS  10  12.842 -18.772  23.982
   86    HZ3  LYS  10           HZ3      LYS  10  13.392 -17.170  23.835
   87    H    ALA  11           HN       ALA  11   7.300 -13.690  26.116
   88    HA   ALA  11           HA       ALA  11   8.960 -13.702  28.415
   89    HB1  ALA  11           HB1      ALA  11   8.723 -11.285  28.369
   90    HB2  ALA  11           HB2      ALA  11   7.315 -11.411  27.313
   91    HB3  ALA  11           HB3      ALA  11   8.910 -11.872  26.716
   92    H    ARG  12           HN       ARG  12   5.504 -13.064  27.922
   93    HA   ARG  12           HA       ARG  12   4.944 -12.364  30.606
   94    HB2  ARG  12           HB2      ARG  12   3.464 -11.916  28.598
   95    HB3  ARG  12           HB1      ARG  12   3.039 -13.625  28.622
   96    HG2  ARG  12           HG2      ARG  12   1.308 -12.726  29.905
   97    HG3  ARG  12           HG1      ARG  12   2.463 -13.153  31.167
   98    HD2  ARG  12           HD2      ARG  12   3.321 -10.838  31.169
   99    HD3  ARG  12           HD1      ARG  12   2.195 -10.415  29.884
  100    HE   ARG  12           HE       ARG  12   0.636 -11.438  31.925
  101   HH11  ARG  12          HH21      ARG  12   2.951  -8.910  31.491
  102   HH12  ARG  12          HH22      ARG  12   2.243  -7.864  32.677
  103   HH21  ARG  12          HH11      ARG  12  -0.303 -10.078  33.487
  104   HH22  ARG  12          HH12      ARG  12   0.397  -8.528  33.809
  105    H    ALA  13           HN       ALA  13   4.675 -15.420  28.824
  106    HA   ALA  13           HA       ALA  13   3.689 -16.947  31.003
  107    HB1  ALA  13           HB1      ALA  13   5.137 -17.733  28.466
  108    HB2  ALA  13           HB2      ALA  13   3.403 -17.806  28.779
  109    HB3  ALA  13           HB3      ALA  13   4.497 -18.904  29.621
  110    H    SER  14           HN       SER  14   6.935 -16.429  29.683
  111    HA   SER  14           HA       SER  14   8.205 -18.074  31.677
  112    HB2  SER  14           HB2      SER  14   9.172 -17.759  29.416
  113    HB3  SER  14           HB1      SER  14   9.414 -16.051  29.773
  114    HG   SER  14           HG       SER  14  11.136 -17.835  30.219
  115    H    VAL  15           HN       VAL  15   7.105 -14.842  31.479
  116    HA   VAL  15           HA       VAL  15   7.115 -13.103  32.976
  117    HB   VAL  15           HB       VAL  15   8.539 -14.931  34.913
  118   HG11  VAL  15          HG11      VAL  15   6.531 -12.726  35.396
  119   HG12  VAL  15          HG12      VAL  15   8.273 -12.452  35.386
  120   HG13  VAL  15          HG13      VAL  15   7.557 -13.530  36.585
  121   HG21  VAL  15          HG21      VAL  15   6.652 -16.206  34.195
  122   HG22  VAL  15          HG22      VAL  15   5.624 -14.774  34.120
  123   HG23  VAL  15          HG23      VAL  15   6.138 -15.410  35.682
  124    H    ILE  16           HN       ILE  16  10.136 -14.963  32.946
  125    HA   ILE  16           HA       ILE  16  11.640 -12.437  32.626
  126    HB   ILE  16           HB       ILE  16  12.362 -14.774  34.411
  127   HG12  ILE  16          HG12      ILE  16  11.940 -11.849  35.084
  128   HG13  ILE  16          HG11      ILE  16  10.678 -13.070  35.243
  129   HG21  ILE  16          HG21      ILE  16  14.323 -13.206  34.966
  130   HG22  ILE  16          HG22      ILE  16  13.911 -12.347  33.483
  131   HG23  ILE  16          HG23      ILE  16  14.397 -14.041  33.414
  132   HD11  ILE  16          HD11      ILE  16  11.898 -14.271  36.892
  133   HD12  ILE  16          HD12      ILE  16  12.041 -12.575  37.351
  134   HD13  ILE  16          HD13      ILE  16  13.383 -13.386  36.545
  135    H    GLY  17           HN       GLY  17  13.700 -12.707  31.583
  136    HA2  GLY  17           HA2      GLY  17  13.586 -14.337  29.289
  137    HA3  GLY  17           HA1      GLY  17  15.010 -13.472  29.863
  138    H    LYS  18           HN       LYS  18  14.393 -16.304  28.817
  139    HA   LYS  18           HA       LYS  18  16.392 -17.647  30.333
  140    HB2  LYS  18           HB2      LYS  18  14.510 -17.803  31.949
  141    HB3  LYS  18           HB1      LYS  18  13.562 -18.646  30.723
  142    HG2  LYS  18           HG2      LYS  18  15.036 -20.511  30.711
  143    HG3  LYS  18           HG1      LYS  18  16.290 -19.626  31.579
  144    HD2  LYS  18           HD2      LYS  18  15.075 -21.224  33.053
  145    HD3  LYS  18           HD1      LYS  18  14.897 -19.553  33.589
  146    HE2  LYS  18           HE2      LYS  18  12.758 -21.000  33.504
  147    HE3  LYS  18           HE1      LYS  18  12.684 -19.402  32.760
  148    HZ1  LYS  18           HZ1      LYS  18  11.748 -21.148  31.341
  149    HZ2  LYS  18           HZ2      LYS  18  13.256 -21.930  31.310
  150    HZ3  LYS  18           HZ3      LYS  18  13.082 -20.389  30.616
  151    HA   PRO  19           HA       PRO  19  15.624 -18.999  25.941
  152    HB2  PRO  19           HB2      PRO  19  18.571 -19.467  26.232
  153    HB3  PRO  19           HB1      PRO  19  17.679 -18.690  24.907
  154    HG2  PRO  19           HG2      PRO  19  19.101 -17.253  26.644
  155    HG3  PRO  19           HG1      PRO  19  17.558 -16.661  26.001
  156    HD2  PRO  19           HD2      PRO  19  18.159 -17.797  28.712
  157    HD3  PRO  19           HD1      PRO  19  17.023 -16.507  28.255
  158    H    ILE  20           HN       ILE  20  15.009 -21.033  25.522
  159    HA   ILE  20           HA       ILE  20  15.765 -23.185  27.339
  160    HB   ILE  20           HB       ILE  20  13.381 -22.764  26.547
  161   HG12  ILE  20          HG12      ILE  20  14.411 -25.522  25.847
  162   HG13  ILE  20          HG11      ILE  20  14.318 -24.953  27.514
  163   HG21  ILE  20          HG21      ILE  20  14.194 -22.410  24.128
  164   HG22  ILE  20          HG22      ILE  20  12.739 -23.380  24.347
  165   HG23  ILE  20          HG23      ILE  20  14.285 -24.168  24.029
  166   HD11  ILE  20          HD11      ILE  20  12.004 -25.199  25.563
  167   HD12  ILE  20          HD12      ILE  20  11.887 -24.490  27.173
  168   HD13  ILE  20          HD13      ILE  20  12.291 -26.195  26.991
  169    H    GLY  21           HN       GLY  21  16.203 -25.378  26.318
  170    HA2  GLY  21           HA2      GLY  21  18.624 -25.447  25.025
  171    HA3  GLY  21           HA1      GLY  21  17.444 -26.752  24.934
  172    H    GLU  22           HN       GLU  22  19.338 -25.473  22.938
  173    HA   GLU  22           HA       GLU  22  18.012 -24.015  20.987
  174    HB2  GLU  22           HB2      GLU  22  20.163 -26.116  20.612
  175    HB3  GLU  22           HB1      GLU  22  19.688 -24.919  19.409
  176    HG2  GLU  22           HG2      GLU  22  21.520 -23.873  20.410
  177    HG3  GLU  22           HG1      GLU  22  20.180 -23.181  21.321
  178    H    SER  23           HN       SER  23  18.297 -27.553  21.295
  179    HA   SER  23           HA       SER  23  16.814 -28.196  18.981
  180    HB2  SER  23           HB2      SER  23  16.548 -30.414  20.035
  181    HB3  SER  23           HB1      SER  23  18.209 -29.841  20.126
  182    HG   SER  23           HG       SER  23  18.036 -29.681  22.228
  183    H    TYR  24           HN       TYR  24  15.851 -27.660  22.345
  184    HA   TYR  24           HA       TYR  24  13.064 -28.234  21.803
  185    HB2  TYR  24           HB2      TYR  24  14.496 -27.137  24.221
  186    HB3  TYR  24           HB1      TYR  24  12.757 -27.424  24.164
  187    HD1  TYR  24           HD1      TYR  24  11.888 -29.742  23.803
  188    HD2  TYR  24           HD2      TYR  24  16.059 -28.936  24.440
  189    HE1  TYR  24           HE1      TYR  24  12.270 -32.135  24.326
  190    HE2  TYR  24           HE2      TYR  24  16.441 -31.329  24.963
  191    HH   TYR  24           HH       TYR  24  13.899 -33.506  25.568
  192    H    LYS  25           HN       LYS  25  15.112 -25.586  21.354
  193    HA   LYS  25           HA       LYS  25  13.107 -23.523  21.779
  194    HB2  LYS  25           HB2      LYS  25  15.521 -23.092  22.189
  195    HB3  LYS  25           HB1      LYS  25  15.837 -23.348  20.474
  196    HG2  LYS  25           HG2      LYS  25  14.454 -21.450  19.882
  197    HG3  LYS  25           HG1      LYS  25  13.936 -21.249  21.556
  198    HD2  LYS  25           HD2      LYS  25  16.284 -20.775  22.195
  199    HD3  LYS  25           HD1      LYS  25  16.769 -20.951  20.508
  200    HE2  LYS  25           HE2      LYS  25  15.262 -19.099  19.881
  201    HE3  LYS  25           HE1      LYS  25  14.786 -18.921  21.570
  202    HZ1  LYS  25           HZ1      LYS  25  16.784 -17.570  20.444
  203    HZ2  LYS  25           HZ2      LYS  25  17.638 -18.899  21.067
  204    HZ3  LYS  25           HZ3      LYS  25  16.707 -17.924  22.101
  205    H    ARG  26           HN       ARG  26  13.701 -25.794  19.419
  206    HA   ARG  26           HA       ARG  26  13.404 -24.395  17.015
  207    HB2  ARG  26           HB2      ARG  26  14.041 -26.778  17.183
  208    HB3  ARG  26           HB1      ARG  26  12.396 -27.163  17.685
  209    HG2  ARG  26           HG2      ARG  26  11.504 -26.344  15.575
  210    HG3  ARG  26           HG1      ARG  26  13.104 -25.796  15.075
  211    HD2  ARG  26           HD2      ARG  26  12.408 -28.681  15.691
  212    HD3  ARG  26           HD1      ARG  26  12.450 -27.996  14.069
  213    HE   ARG  26           HE       ARG  26  14.911 -27.448  15.324
  214   HH11  ARG  26          HH21      ARG  26  13.020 -30.098  14.144
  215   HH12  ARG  26          HH22      ARG  26  14.392 -31.091  13.778
  216   HH21  ARG  26          HH11      ARG  26  16.711 -28.747  14.850
  217   HH22  ARG  26          HH12      ARG  26  16.481 -30.326  14.177
  218    H    ILE  27           HN       ILE  27  10.996 -25.687  19.271
  219    HA   ILE  27           HA       ILE  27   8.730 -25.148  17.713
  220    HB   ILE  27           HB       ILE  27   8.626 -26.551  19.707
  221   HG12  ILE  27          HG12      ILE  27   6.962 -24.060  20.164
  222   HG13  ILE  27          HG11      ILE  27   6.616 -25.237  18.895
  223   HG21  ILE  27          HG21      ILE  27   8.813 -24.097  21.442
  224   HG22  ILE  27          HG22      ILE  27  10.284 -24.918  20.939
  225   HG23  ILE  27          HG23      ILE  27   9.070 -25.784  21.875
  226   HD11  ILE  27          HD11      ILE  27   6.934 -26.070  21.784
  227   HD12  ILE  27          HD12      ILE  27   6.181 -26.964  20.466
  228   HD13  ILE  27          HD13      ILE  27   5.380 -25.547  21.138
  229    H    LEU  28           HN       LEU  28  10.303 -23.216  20.236
  230    HA   LEU  28           HA       LEU  28   8.618 -20.951  19.995
  231    HB2  LEU  28           HB2      LEU  28  11.319 -21.460  21.209
  232    HB3  LEU  28           HB1      LEU  28  10.742 -19.803  21.071
  233    HG   LEU  28           HG       LEU  28   9.139 -22.025  22.370
  234   HD11  LEU  28          HD11      LEU  28  11.130 -21.771  23.684
  235   HD12  LEU  28          HD12      LEU  28   9.848 -20.896  24.522
  236   HD13  LEU  28          HD13      LEU  28  11.045 -20.012  23.578
  237   HD21  LEU  28          HD21      LEU  28   8.753 -19.077  21.947
  238   HD22  LEU  28          HD22      LEU  28   8.212 -19.752  23.482
  239   HD23  LEU  28          HD23      LEU  28   7.565 -20.378  21.971
  240    H    ALA  29           HN       ALA  29  11.652 -21.872  18.449
  241    HA   ALA  29           HA       ALA  29  12.331 -19.484  17.205
  242    HB1  ALA  29           HB1      ALA  29  13.604 -21.700  17.209
  243    HB2  ALA  29           HB2      ALA  29  13.634 -20.780  15.703
  244    HB3  ALA  29           HB3      ALA  29  12.567 -22.177  15.863
  245    H    LYS  30           HN       LYS  30   9.954 -21.920  16.258
  246    HA   LYS  30           HA       LYS  30   9.353 -20.707  13.737
  247    HB2  LYS  30           HB2      LYS  30   7.831 -22.700  15.419
  248    HB3  LYS  30           HB1      LYS  30   7.344 -22.201  13.798
  249    HG2  LYS  30           HG2      LYS  30   9.620 -22.908  12.985
  250    HG3  LYS  30           HG1      LYS  30   9.915 -23.590  14.581
  251    HD2  LYS  30           HD2      LYS  30   7.549 -24.348  12.855
  252    HD3  LYS  30           HD1      LYS  30   9.065 -25.242  12.860
  253    HE2  LYS  30           HE2      LYS  30   8.772 -25.450  15.395
  254    HE3  LYS  30           HE1      LYS  30   7.121 -24.884  15.148
  255    HZ1  LYS  30           HZ1      LYS  30   8.351 -27.414  14.392
  256    HZ2  LYS  30           HZ2      LYS  30   7.224 -26.760  13.301
  257    HZ3  LYS  30           HZ3      LYS  30   6.767 -27.088  14.905
  258    H    LEU  31           HN       LEU  31   8.501 -20.049  16.984
  259    HA   LEU  31           HA       LEU  31   5.937 -18.970  16.694
  260    HB2  LEU  31           HB2      LEU  31   7.311 -19.399  18.842
  261    HB3  LEU  31           HB1      LEU  31   8.013 -17.811  18.550
  262    HG   LEU  31           HG       LEU  31   5.680 -16.864  18.468
  263   HD11  LEU  31          HD11      LEU  31   5.025 -19.748  18.948
  264   HD12  LEU  31          HD12      LEU  31   4.125 -18.512  18.075
  265   HD13  LEU  31          HD13      LEU  31   4.069 -18.557  19.832
  266   HD21  LEU  31          HD21      LEU  31   6.785 -18.219  20.933
  267   HD22  LEU  31          HD22      LEU  31   5.326 -17.234  21.016
  268   HD23  LEU  31          HD23      LEU  31   6.846 -16.513  20.490
  269    H    GLN  32           HN       GLN  32   9.131 -17.485  16.284
  270    HA   GLN  32           HA       GLN  32   8.045 -14.895  15.637
  271    HB2  GLN  32           HB2      GLN  32  10.315 -15.306  16.662
  272    HB3  GLN  32           HB1      GLN  32  10.836 -15.922  15.095
  273    HG2  GLN  32           HG2      GLN  32  11.457 -13.620  15.118
  274    HG3  GLN  32           HG1      GLN  32  10.013 -13.706  14.112
  275   HE21  GLN  32          HE21      GLN  32  10.912 -13.177  17.567
  276   HE22  GLN  32          HE22      GLN  32   9.687 -12.037  17.856
  277    H    ARG  33           HN       ARG  33   9.390 -17.627  13.819
  278    HA   ARG  33           HA       ARG  33   9.385 -16.403  11.277
  279    HB2  ARG  33           HB2      ARG  33  10.574 -18.530  11.818
  280    HB3  ARG  33           HB1      ARG  33   9.010 -19.338  11.897
  281    HG2  ARG  33           HG2      ARG  33   8.554 -18.681   9.551
  282    HG3  ARG  33           HG1      ARG  33  10.142 -17.914   9.473
  283    HD2  ARG  33           HD2      ARG  33   9.678 -20.843  10.094
  284    HD3  ARG  33           HD1      ARG  33  10.123 -20.217   8.511
  285    HE   ARG  33           HE       ARG  33  12.000 -19.270  10.374
  286   HH11  ARG  33          HH21      ARG  33  10.883 -22.220   8.954
  287   HH12  ARG  33          HH22      ARG  33  12.415 -23.019   9.072
  288   HH21  ARG  33          HH11      ARG  33  14.014 -20.311  10.532
  289   HH22  ARG  33          HH12      ARG  33  14.187 -21.940   9.966
  290    H    ILE  34           HN       ILE  34   6.929 -18.263  13.023
  291    HA   ILE  34           HA       ILE  34   5.050 -18.452  10.934
  292    HB   ILE  34           HB       ILE  34   4.747 -18.435  13.940
  293   HG12  ILE  34          HG12      ILE  34   5.885 -20.357  12.522
  294   HG13  ILE  34          HG11      ILE  34   4.752 -20.768  13.805
  295   HG21  ILE  34          HG21      ILE  34   2.436 -19.442  13.377
  296   HG22  ILE  34          HG22      ILE  34   2.650 -18.703  11.789
  297   HG23  ILE  34          HG23      ILE  34   2.626 -17.694  13.235
  298   HD11  ILE  34          HD11      ILE  34   4.485 -21.902  11.471
  299   HD12  ILE  34          HD12      ILE  34   3.766 -20.371  10.983
  300   HD13  ILE  34          HD13      ILE  34   3.043 -21.309  12.288
  301    H    HIS  35           HN       HIS  35   5.549 -15.989  13.439
  302    HA   HIS  35           HA       HIS  35   3.315 -14.399  12.891
  303    HB2  HIS  35           HB2      HIS  35   4.777 -14.045  14.831
  304    HB3  HIS  35           HB1      HIS  35   6.083 -13.532  13.761
  305    HD2  HIS  35           HD2      HIS  35   3.102 -11.976  15.585
  306    HE1  HIS  35           HE1      HIS  35   4.274  -9.185  12.642
  307    HE2  HIS  35           HE2      HIS  35   2.836  -9.530  14.706
  308    H    ASN  36           HN       ASN  36   6.619 -14.170  11.550
  309    HA   ASN  36           HA       ASN  36   5.982 -12.076   9.726
  310    HB2  ASN  36           HB2      ASN  36   8.261 -14.053   9.850
  311    HB3  ASN  36           HB1      ASN  36   8.157 -12.774   8.642
  312   HD21  ASN  36          HD21      ASN  36  10.278 -12.823  10.563
  313   HD22  ASN  36          HD22      ASN  36  10.079 -11.500  11.609
  314    H    SER  37           HN       SER  37   6.191 -15.603   9.417
  315    HA   SER  37           HA       SER  37   5.385 -15.509   6.608
  316    HB2  SER  37           HB2      SER  37   5.989 -17.771   6.515
  317    HB3  SER  37           HB1      SER  37   7.135 -17.119   7.678
  318    HG   SER  37           HG       SER  37   6.217 -18.246   9.200
  319    H    ASN  38           HN       ASN  38   3.671 -14.865   9.123
  320    HA   ASN  38           HA       ASN  38   1.698 -16.697   9.606
  321    HB2  ASN  38           HB2      ASN  38   1.843 -14.436  10.638
  322    HB3  ASN  38           HB1      ASN  38   1.223 -13.744   9.138
  323   HD21  ASN  38          HD21      ASN  38  -0.827 -13.050   9.964
  324   HD22  ASN  38          HD22      ASN  38  -2.003 -14.137  10.529
  325    H    ILE  39           HN       ILE  39   0.395 -17.820   8.354
  326    HA   ILE  39           HA       ILE  39  -0.785 -18.518   6.508
  327    HB   ILE  39           HB       ILE  39  -1.522 -15.606   6.251
  328   HG12  ILE  39          HG12      ILE  39  -2.746 -17.707   8.021
  329   HG13  ILE  39          HG11      ILE  39  -1.726 -16.398   8.600
  330   HG21  ILE  39          HG21      ILE  39  -2.265 -17.181   4.457
  331   HG22  ILE  39          HG22      ILE  39  -3.613 -16.514   5.376
  332   HG23  ILE  39          HG23      ILE  39  -3.056 -18.157   5.695
  333   HD11  ILE  39          HD11      ILE  39  -4.039 -15.733   8.879
  334   HD12  ILE  39          HD12      ILE  39  -4.393 -16.129   7.197
  335   HD13  ILE  39          HD13      ILE  39  -3.333 -14.773   7.580
  336    H    LEU  40           HN       LEU  40   1.572 -18.676   5.628
  337    HA   LEU  40           HA       LEU  40   1.760 -17.049   3.148
  338    HB2  LEU  40           HB2      LEU  40   3.606 -16.652   4.809
  339    HB3  LEU  40           HB1      LEU  40   4.042 -18.345   4.638
  340    HG   LEU  40           HG       LEU  40   4.357 -17.997   2.191
  341   HD11  LEU  40          HD11      LEU  40   3.457 -15.235   2.947
  342   HD12  LEU  40          HD12      LEU  40   3.116 -16.173   1.493
  343   HD13  LEU  40          HD13      LEU  40   4.680 -15.392   1.684
  344   HD21  LEU  40          HD21      LEU  40   5.944 -16.219   4.070
  345   HD22  LEU  40          HD22      LEU  40   6.454 -16.630   2.432
  346   HD23  LEU  40          HD23      LEU  40   6.297 -17.896   3.650
  347    H    ASP  41           HN       ASP  41   1.683 -18.127   1.293
  348    HA   ASP  41           HA       ASP  41   0.853 -20.659   0.899
  349    HB2  ASP  41           HB2      ASP  41   2.829 -19.096  -0.762
  350    HB3  ASP  41           HB1      ASP  41   2.094 -20.606  -1.300
  351    H    GLU  42           HN       GLU  42   4.227 -19.700   1.344
  352    HA   GLU  42           HA       GLU  42   5.266 -22.340   1.032
  353    HB2  GLU  42           HB2      GLU  42   6.611 -20.285   0.694
  354    HB3  GLU  42           HB1      GLU  42   6.495 -19.950   2.421
  355    HG2  GLU  42           HG2      GLU  42   7.627 -22.055   2.943
  356    HG3  GLU  42           HG1      GLU  42   7.677 -22.475   1.231
  357    H    ARG  43           HN       ARG  43   4.254 -20.376   3.797
  358    HA   ARG  43           HA       ARG  43   5.123 -22.334   5.732
  359    HB2  ARG  43           HB2      ARG  43   4.989 -19.811   6.100
  360    HB3  ARG  43           HB1      ARG  43   3.250 -20.019   6.226
  361    HG2  ARG  43           HG2      ARG  43   3.999 -20.120   8.464
  362    HG3  ARG  43           HG1      ARG  43   3.773 -21.806   8.018
  363    HD2  ARG  43           HD2      ARG  43   5.967 -21.157   9.230
  364    HD3  ARG  43           HD1      ARG  43   6.095 -22.191   7.813
  365    HE   ARG  43           HE       ARG  43   6.330 -19.330   7.331
  366   HH11  ARG  43          HH21      ARG  43   7.894 -22.356   7.911
  367   HH12  ARG  43          HH22      ARG  43   9.400 -21.861   7.216
  368   HH21  ARG  43          HH11      ARG  43   8.283 -18.675   6.412
  369   HH22  ARG  43          HH12      ARG  43   9.621 -19.774   6.366
  370    H    GLN  44           HN       GLN  44   2.286 -21.792   3.849
  371    HA   GLN  44           HA       GLN  44   0.238 -22.758   5.423
  372    HB2  GLN  44           HB2      GLN  44   0.805 -23.070   2.480
  373    HB3  GLN  44           HB1      GLN  44  -0.644 -23.765   3.206
  374    HG2  GLN  44           HG2      GLN  44  -1.250 -21.522   4.085
  375    HG3  GLN  44           HG1      GLN  44   0.158 -20.843   3.278
  376   HE21  GLN  44          HE21      GLN  44  -0.538 -23.080   1.099
  377   HE22  GLN  44          HE22      GLN  44  -1.703 -22.286   0.153
  378    H    GLY  45           HN       GLY  45   2.617 -24.641   3.566
  379    HA2  GLY  45           HA2      GLY  45   1.559 -27.187   4.256
  380    HA3  GLY  45           HA1      GLY  45   3.183 -26.870   3.648
  381    H    LEU  46           HN       LEU  46   3.882 -25.014   5.744
  382    HA   LEU  46           HA       LEU  46   4.949 -26.820   7.612
  383    HB2  LEU  46           HB2      LEU  46   5.597 -24.308   6.903
  384    HB3  LEU  46           HB1      LEU  46   4.668 -23.931   8.348
  385    HG   LEU  46           HG       LEU  46   6.994 -24.170   8.979
  386   HD11  LEU  46          HD11      LEU  46   6.732 -25.645  10.782
  387   HD12  LEU  46          HD12      LEU  46   5.732 -26.762   9.853
  388   HD13  LEU  46          HD13      LEU  46   5.072 -25.212  10.373
  389   HD21  LEU  46          HD21      LEU  46   7.201 -25.991   6.907
  390   HD22  LEU  46          HD22      LEU  46   7.246 -27.053   8.313
  391   HD23  LEU  46          HD23      LEU  46   8.416 -25.746   8.157
  392    H    MET  47           HN       MET  47   2.150 -24.676   7.705
  393    HA   MET  47           HA       MET  47   1.449 -24.837  10.378
  394    HB2  MET  47           HB2      MET  47  -0.341 -24.784   7.940
  395    HB3  MET  47           HB1      MET  47  -0.888 -24.488   9.589
  396    HG2  MET  47           HG2      MET  47   0.829 -22.635   9.734
  397    HG3  MET  47           HG1      MET  47   1.129 -22.869   8.017
  398    HE1  MET  47           HE1      MET  47   0.190 -20.362   9.736
  399    HE2  MET  47           HE2      MET  47  -1.015 -19.555   8.735
  400    HE3  MET  47           HE3      MET  47   0.489 -20.119   8.010
  401    H    HIS  48           HN       HIS  48   0.763 -27.128   7.757
  402    HA   HIS  48           HA       HIS  48  -0.931 -28.860   9.172
  403    HB2  HIS  48           HB2      HIS  48  -0.589 -28.955   6.726
  404    HB3  HIS  48           HB1      HIS  48   1.049 -29.553   6.988
  405    HD2  HIS  48           HD2      HIS  48  -2.619 -30.879   7.077
  406    HE1  HIS  48           HE1      HIS  48  -0.081 -34.077   8.148
  407    HE2  HIS  48           HE2      HIS  48  -2.466 -33.442   7.548
  408    H    GLU  49           HN       GLU  49   2.607 -28.848   8.840
  409    HA   GLU  49           HA       GLU  49   2.898 -31.160  10.562
  410    HB2  GLU  49           HB2      GLU  49   4.913 -29.264   9.341
  411    HB3  GLU  49           HB1      GLU  49   5.341 -30.672  10.313
  412    HG2  GLU  49           HG2      GLU  49   3.629 -30.800   7.824
  413    HG3  GLU  49           HG1      GLU  49   5.365 -31.105   7.834
  414    H    LEU  50           HN       LEU  50   2.789 -27.726  10.911
  415    HA   LEU  50           HA       LEU  50   4.317 -27.389  13.237
  416    HB2  LEU  50           HB2      LEU  50   3.212 -25.621  11.679
  417    HB3  LEU  50           HB1      LEU  50   1.791 -25.832  12.697
  418    HG   LEU  50           HG       LEU  50   3.557 -25.490  14.668
  419   HD11  LEU  50          HD11      LEU  50   4.828 -24.010  12.352
  420   HD12  LEU  50          HD12      LEU  50   5.516 -25.413  13.161
  421   HD13  LEU  50          HD13      LEU  50   5.321 -23.895  14.036
  422   HD21  LEU  50          HD21      LEU  50   3.185 -22.921  14.325
  423   HD22  LEU  50          HD22      LEU  50   1.789 -23.967  14.560
  424   HD23  LEU  50          HD23      LEU  50   2.213 -23.421  12.937
  425    H    MET  51           HN       MET  51   0.875 -28.130  12.821
  426    HA   MET  51           HA       MET  51   0.184 -28.088  15.547
  427    HB2  MET  51           HB2      MET  51  -1.699 -29.631  14.783
  428    HB3  MET  51           HB1      MET  51  -1.583 -28.071  13.965
  429    HG2  MET  51           HG2      MET  51  -0.695 -29.012  12.011
  430    HG3  MET  51           HG1      MET  51  -0.170 -30.479  12.836
  431    HE1  MET  51           HE1      MET  51  -0.955 -32.076  11.350
  432    HE2  MET  51           HE2      MET  51  -1.706 -31.045  10.135
  433    HE3  MET  51           HE3      MET  51  -2.612 -32.392  10.818
  434    H    GLU  52           HN       GLU  52   1.879 -30.410  13.611
  435    HA   GLU  52           HA       GLU  52   1.511 -32.621  15.449
  436    HB2  GLU  52           HB2      GLU  52   1.921 -32.856  12.951
  437    HB3  GLU  52           HB1      GLU  52   3.591 -32.390  13.274
  438    HG2  GLU  52           HG2      GLU  52   3.560 -34.777  13.305
  439    HG3  GLU  52           HG1      GLU  52   3.658 -34.265  14.988
  440    H    LEU  53           HN       LEU  53   4.298 -30.624  14.442
  441    HA   LEU  53           HA       LEU  53   6.077 -31.641  16.373
  442    HB2  LEU  53           HB2      LEU  53   5.995 -29.192  14.646
  443    HB3  LEU  53           HB1      LEU  53   7.164 -29.234  15.964
  444    HG   LEU  53           HG       LEU  53   8.074 -31.354  15.110
  445   HD11  LEU  53          HD11      LEU  53   6.116 -32.336  14.095
  446   HD12  LEU  53          HD12      LEU  53   7.313 -32.104  12.820
  447   HD13  LEU  53          HD13      LEU  53   5.964 -30.986  12.976
  448   HD21  LEU  53          HD21      LEU  53   8.931 -29.144  14.286
  449   HD22  LEU  53          HD22      LEU  53   7.846 -29.287  12.904
  450   HD23  LEU  53          HD23      LEU  53   9.151 -30.453  13.125
  451    H    ILE  54           HN       ILE  54   3.783 -28.944  16.486
  452    HA   ILE  54           HA       ILE  54   4.650 -27.819  18.897
  453    HB   ILE  54           HB       ILE  54   1.940 -27.915  17.589
  454   HG12  ILE  54          HG12      ILE  54   4.035 -26.618  16.651
  455   HG13  ILE  54          HG11      ILE  54   2.474 -25.819  16.719
  456   HG21  ILE  54          HG21      ILE  54   1.492 -25.936  19.203
  457   HG22  ILE  54          HG22      ILE  54   2.806 -26.614  20.167
  458   HG23  ILE  54          HG23      ILE  54   1.365 -27.576  19.839
  459   HD11  ILE  54          HD11      ILE  54   4.339 -25.568  19.055
  460   HD12  ILE  54          HD12      ILE  54   3.079 -24.463  18.518
  461   HD13  ILE  54          HD13      ILE  54   4.595 -24.571  17.623
  462    H    ASP  55           HN       ASP  55   2.270 -30.396  18.289
  463    HA   ASP  55           HA       ASP  55   1.563 -30.724  21.020
  464    HB2  ASP  55           HB2      ASP  55   0.115 -31.467  19.183
  465    HB3  ASP  55           HB1      ASP  55   1.327 -32.655  18.708
  466    H    LEU  56           HN       LEU  56   3.819 -32.421  18.879
  467    HA   LEU  56           HA       LEU  56   4.621 -34.355  20.760
  468    HB2  LEU  56           HB2      LEU  56   5.666 -33.298  18.175
  469    HB3  LEU  56           HB1      LEU  56   6.789 -34.225  19.159
  470    HG   LEU  56           HG       LEU  56   5.451 -35.557  17.437
  471   HD11  LEU  56          HD11      LEU  56   6.456 -36.380  19.782
  472   HD12  LEU  56          HD12      LEU  56   5.477 -37.444  18.783
  473   HD13  LEU  56          HD13      LEU  56   4.750 -36.624  20.163
  474   HD21  LEU  56          HD21      LEU  56   3.294 -34.213  18.129
  475   HD22  LEU  56          HD22      LEU  56   3.140 -35.448  19.369
  476   HD23  LEU  56          HD23      LEU  56   3.163 -35.902  17.667
  477    H    TYR  57           HN       TYR  57   5.985 -31.174  19.956
  478    HA   TYR  57           HA       TYR  57   8.168 -31.399  21.786
  479    HB2  TYR  57           HB2      TYR  57   6.893 -29.171  20.228
  480    HB3  TYR  57           HB1      TYR  57   8.065 -28.779  21.483
  481    HD1  TYR  57           HD1      TYR  57   7.770 -31.460  18.840
  482    HD2  TYR  57           HD2      TYR  57  10.205 -28.412  20.643
  483    HE1  TYR  57           HE1      TYR  57   9.625 -32.032  17.303
  484    HE2  TYR  57           HE2      TYR  57  12.057 -28.988  19.107
  485    HH   TYR  57           HH       TYR  57  12.811 -30.528  17.637
  486    H    GLU  58           HN       GLU  58   4.955 -29.906  21.956
  487    HA   GLU  58           HA       GLU  58   5.237 -28.773  24.516
  488    HB2  GLU  58           HB2      GLU  58   2.835 -29.629  22.915
  489    HB3  GLU  58           HB1      GLU  58   2.670 -28.955  24.536
  490    HG2  GLU  58           HG2      GLU  58   4.248 -27.569  22.358
  491    HG3  GLU  58           HG1      GLU  58   2.534 -27.268  22.625
  492    H    GLU  59           HN       GLU  59   4.812 -32.016  23.506
  493    HA   GLU  59           HA       GLU  59   3.812 -32.943  26.081
  494    HB2  GLU  59           HB2      GLU  59   4.545 -34.280  23.479
  495    HB3  GLU  59           HB1      GLU  59   4.229 -35.224  24.933
  496    HG2  GLU  59           HG2      GLU  59   2.283 -33.130  23.956
  497    HG3  GLU  59           HG1      GLU  59   2.237 -34.785  23.351
  498    H    SER  60           HN       SER  60   6.846 -32.226  24.680
  499    HA   SER  60           HA       SER  60   8.517 -34.203  25.711
  500    HB2  SER  60           HB2      SER  60   9.036 -31.246  25.360
  501    HB3  SER  60           HB1      SER  60  10.285 -32.454  25.635
  502    HG   SER  60           HG       SER  60   9.909 -31.940  23.397
  503    H    GLN  61           HN       GLN  61   8.038 -30.981  27.187
  504    HA   GLN  61           HA       GLN  61   8.630 -32.174  29.840
  505    HB2  GLN  61           HB2      GLN  61   8.883 -29.218  29.556
  506    HB3  GLN  61           HB1      GLN  61   9.893 -30.369  30.431
  507    HG2  GLN  61           HG2      GLN  61  10.754 -31.194  28.229
  508    HG3  GLN  61           HG1      GLN  61   9.875 -29.876  27.448
  509   HE21  GLN  61          HE21      GLN  61  12.861 -30.682  28.770
  510   HE22  GLN  61          HE22      GLN  61  13.446 -29.114  29.055
  511    HA   PRO  62           HA       PRO  62   4.818 -29.575  30.583
  512    HB2  PRO  62           HB2      PRO  62   3.820 -27.962  28.634
  513    HB3  PRO  62           HB1      PRO  62   5.266 -27.521  29.568
  514    HG2  PRO  62           HG2      PRO  62   5.048 -28.395  26.759
  515    HG3  PRO  62           HG1      PRO  62   6.330 -27.475  27.557
  516    HD2  PRO  62           HD2      PRO  62   6.305 -30.338  26.978
  517    HD3  PRO  62           HD1      PRO  62   7.592 -29.365  27.708
  518    H    SER  63           HN       SER  63   4.168 -31.890  30.319
  519    HA   SER  63           HA       SER  63   2.373 -32.588  28.156
  520    HB2  SER  63           HB2      SER  63   3.094 -33.998  30.735
  521    HB3  SER  63           HB1      SER  63   2.064 -34.680  29.478
  522    HG   SER  63           HG       SER  63   3.874 -34.339  28.035
  523    H    SER  64           HN       SER  64   2.162 -31.599  31.550
  524    HA   SER  64           HA       SER  64  -0.799 -31.439  31.276
  525    HB2  SER  64           HB2      SER  64   0.929 -32.052  33.672
  526    HB3  SER  64           HB1      SER  64  -0.756 -31.563  33.816
  527    HG   SER  64           HG       SER  64   0.211 -33.964  33.285
  528    H    GLU  65           HN       GLU  65   1.681 -29.515  30.908
  529    HA   GLU  65           HA       GLU  65   0.856 -27.351  32.718
  530    HB2  GLU  65           HB2      GLU  65   3.154 -27.637  30.786
  531    HB3  GLU  65           HB1      GLU  65   2.829 -26.171  31.704
  532    HG2  GLU  65           HG2      GLU  65   3.045 -27.413  33.799
  533    HG3  GLU  65           HG1      GLU  65   3.292 -28.912  32.906
  534    H    ARG  66           HN       ARG  66   2.138 -26.670  29.565
  535    HA   ARG  66           HA       ARG  66  -0.062 -24.913  28.982
  536    HB2  ARG  66           HB2      ARG  66   2.404 -25.697  27.423
  537    HB3  ARG  66           HB1      ARG  66   1.211 -24.535  26.837
  538    HG2  ARG  66           HG2      ARG  66   1.559 -23.158  28.854
  539    HG3  ARG  66           HG1      ARG  66   2.755 -24.315  29.437
  540    HD2  ARG  66           HD2      ARG  66   2.970 -22.850  26.797
  541    HD3  ARG  66           HD1      ARG  66   3.754 -22.317  28.281
  542    HE   ARG  66           HE       ARG  66   4.527 -24.579  26.624
  543   HH11  ARG  66          HH21      ARG  66   4.679 -22.999  29.698
  544   HH12  ARG  66          HH22      ARG  66   6.142 -23.785  30.187
  545   HH21  ARG  66          HH11      ARG  66   6.448 -25.616  27.258
  546   HH22  ARG  66          HH12      ARG  66   7.144 -25.268  28.805
  547    H    LEU  67           HN       LEU  67   0.611 -28.209  28.374
  548    HA   LEU  67           HA       LEU  67  -0.452 -28.760  25.916
  549    HB2  LEU  67           HB2      LEU  67   0.407 -30.426  27.658
  550    HB3  LEU  67           HB1      LEU  67  -1.214 -30.376  28.346
  551    HG   LEU  67           HG       LEU  67  -2.118 -30.976  26.061
  552   HD11  LEU  67          HD11      LEU  67  -0.177 -32.230  24.700
  553   HD12  LEU  67          HD12      LEU  67   0.818 -30.987  25.456
  554   HD13  LEU  67          HD13      LEU  67  -0.544 -30.531  24.434
  555   HD21  LEU  67          HD21      LEU  67  -1.684 -33.327  26.318
  556   HD22  LEU  67          HD22      LEU  67  -1.710 -32.623  27.933
  557   HD23  LEU  67          HD23      LEU  67  -0.172 -33.010  27.161
  558    H    ASN  68           HN       ASN  68  -2.057 -27.315  28.566
  559    HA   ASN  68           HA       ASN  68  -4.734 -28.029  27.687
  560    HB2  ASN  68           HB2      ASN  68  -4.034 -27.598  30.105
  561    HB3  ASN  68           HB1      ASN  68  -3.982 -25.888  29.679
  562   HD21  ASN  68          HD21      ASN  68  -5.828 -25.477  31.129
  563   HD22  ASN  68          HD22      ASN  68  -7.399 -25.924  30.668
  564    H    ALA  69           HN       ALA  69  -2.686 -25.109  27.741
  565    HA   ALA  69           HA       ALA  69  -4.635 -23.575  26.217
  566    HB1  ALA  69           HB1      ALA  69  -2.919 -21.770  26.375
  567    HB2  ALA  69           HB2      ALA  69  -1.854 -22.903  27.209
  568    HB3  ALA  69           HB3      ALA  69  -3.382 -22.421  27.948
  569    H    PHE  70           HN       PHE  70  -1.573 -25.213  25.673
  570    HA   PHE  70           HA       PHE  70  -0.656 -24.192  23.324
  571    HB2  PHE  70           HB2      PHE  70   0.573 -26.143  23.131
  572    HB3  PHE  70           HB1      PHE  70  -0.010 -26.373  24.777
  573    HD1  PHE  70           HD1      PHE  70  -2.695 -27.189  24.602
  574    HD2  PHE  70           HD2      PHE  70   0.507 -28.180  21.928
  575    HE1  PHE  70           HE1      PHE  70  -3.915 -29.234  23.909
  576    HE2  PHE  70           HE2      PHE  70  -0.710 -30.227  21.227
  577    HZ   PHE  70           HZ       PHE  70  -2.923 -30.753  22.220
  578    H    ARG  71           HN       ARG  71  -3.630 -25.835  23.870
  579    HA   ARG  71           HA       ARG  71  -4.183 -26.685  21.231
  580    HB2  ARG  71           HB2      ARG  71  -5.397 -27.501  23.233
  581    HB3  ARG  71           HB1      ARG  71  -6.146 -25.913  23.400
  582    HG2  ARG  71           HG2      ARG  71  -7.123 -26.144  21.135
  583    HG3  ARG  71           HG1      ARG  71  -6.393 -27.743  20.993
  584    HD2  ARG  71           HD2      ARG  71  -7.663 -28.431  23.045
  585    HD3  ARG  71           HD1      ARG  71  -8.483 -26.872  23.003
  586    HE   ARG  71           HE       ARG  71  -8.918 -29.113  21.198
  587   HH11  ARG  71          HH21      ARG  71  -9.267 -25.727  21.821
  588   HH12  ARG  71          HH22      ARG  71 -10.584 -25.519  20.714
  589   HH21  ARG  71          HH11      ARG  71 -10.640 -28.848  19.744
  590   HH22  ARG  71          HH12      ARG  71 -11.361 -27.286  19.538
  591    H    GLU  72           HN       GLU  72  -4.853 -23.702  23.007
  592    HA   GLU  72           HA       GLU  72  -6.504 -22.399  21.207
  593    HB2  GLU  72           HB2      GLU  72  -4.289 -21.290  22.943
  594    HB3  GLU  72           HB1      GLU  72  -5.454 -20.286  22.083
  595    HG2  GLU  72           HG2      GLU  72  -7.302 -21.348  23.282
  596    HG3  GLU  72           HG1      GLU  72  -6.176 -22.431  24.099
  597    H    LEU  73           HN       LEU  73  -2.947 -22.527  21.270
  598    HA   LEU  73           HA       LEU  73  -2.545 -20.934  18.972
  599    HB2  LEU  73           HB2      LEU  73  -0.707 -21.420  20.517
  600    HB3  LEU  73           HB1      LEU  73  -0.818 -23.137  20.143
  601    HG   LEU  73           HG       LEU  73  -0.211 -22.671  17.788
  602   HD11  LEU  73          HD11      LEU  73  -0.992 -20.514  17.295
  603   HD12  LEU  73          HD12      LEU  73   0.748 -20.263  17.421
  604   HD13  LEU  73          HD13      LEU  73  -0.306 -19.819  18.766
  605   HD21  LEU  73          HD21      LEU  73   1.519 -23.046  19.622
  606   HD22  LEU  73          HD22      LEU  73   1.770 -21.301  19.616
  607   HD23  LEU  73          HD23      LEU  73   2.108 -22.246  18.163
  608    H    ARG  74           HN       ARG  74  -2.853 -24.446  19.418
  609    HA   ARG  74           HA       ARG  74  -2.417 -25.134  16.715
  610    HB2  ARG  74           HB2      ARG  74  -3.892 -26.569  18.926
  611    HB3  ARG  74           HB1      ARG  74  -3.602 -27.270  17.335
  612    HG2  ARG  74           HG2      ARG  74  -1.178 -26.992  17.635
  613    HG3  ARG  74           HG1      ARG  74  -1.452 -26.259  19.217
  614    HD2  ARG  74           HD2      ARG  74  -0.885 -28.610  19.514
  615    HD3  ARG  74           HD1      ARG  74  -2.570 -28.354  19.959
  616    HE   ARG  74           HE       ARG  74  -2.235 -29.135  17.200
  617   HH11  ARG  74          HH21      ARG  74  -2.483 -30.193  20.484
  618   HH12  ARG  74          HH22      ARG  74  -3.076 -31.769  20.077
  619   HH21  ARG  74          HH11      ARG  74  -3.011 -31.201  16.657
  620   HH22  ARG  74          HH12      ARG  74  -3.375 -32.339  17.912
  621    H    THR  75           HN       THR  75  -5.275 -24.207  18.515
  622    HA   THR  75           HA       THR  75  -7.214 -24.916  16.636
  623    HB   THR  75           HB       THR  75  -7.361 -22.529  18.410
  624    HG1  THR  75           HG1      THR  75  -8.261 -24.149  19.896
  625   HG21  THR  75          HG21      THR  75  -9.693 -22.861  18.338
  626   HG22  THR  75          HG22      THR  75  -9.510 -24.503  17.722
  627   HG23  THR  75          HG23      THR  75  -9.164 -23.128  16.676
  628    H    GLN  76           HN       GLN  76  -5.432 -21.881  17.078
  629    HA   GLN  76           HA       GLN  76  -6.678 -20.418  15.041
  630    HB2  GLN  76           HB2      GLN  76  -5.115 -19.482  16.759
  631    HB3  GLN  76           HB1      GLN  76  -3.779 -20.239  15.894
  632    HG2  GLN  76           HG2      GLN  76  -3.943 -17.930  15.187
  633    HG3  GLN  76           HG1      GLN  76  -4.448 -18.954  13.847
  634   HE21  GLN  76          HE21      GLN  76  -5.991 -17.575  12.848
  635   HE22  GLN  76          HE22      GLN  76  -7.377 -16.999  13.640
  636    H    LEU  77           HN       LEU  77  -3.720 -22.389  14.957
  637    HA   LEU  77           HA       LEU  77  -3.247 -22.083  12.179
  638    HB2  LEU  77           HB2      LEU  77  -2.317 -23.990  14.309
  639    HB3  LEU  77           HB1      LEU  77  -1.943 -24.344  12.626
  640    HG   LEU  77           HG       LEU  77  -0.160 -23.034  13.847
  641   HD11  LEU  77          HD11      LEU  77   0.441 -21.909  11.931
  642   HD12  LEU  77          HD12      LEU  77  -1.152 -21.190  11.704
  643   HD13  LEU  77          HD13      LEU  77  -0.869 -22.866  11.249
  644   HD21  LEU  77          HD21      LEU  77  -0.528 -20.793  14.517
  645   HD22  LEU  77          HD22      LEU  77  -1.951 -21.653  15.086
  646   HD23  LEU  77          HD23      LEU  77  -2.043 -20.684  13.623
  647    H    GLU  78           HN       GLU  78  -5.014 -24.481  14.077
  648    HA   GLU  78           HA       GLU  78  -5.562 -26.296  12.001
  649    HB2  GLU  78           HB2      GLU  78  -5.924 -26.723  14.435
  650    HB3  GLU  78           HB1      GLU  78  -7.316 -25.641  14.377
  651    HG2  GLU  78           HG2      GLU  78  -8.359 -27.070  12.660
  652    HG3  GLU  78           HG1      GLU  78  -6.964 -28.148  12.711
  653    H    LYS  79           HN       LYS  79  -7.449 -23.531  13.231
  654    HA   LYS  79           HA       LYS  79  -9.568 -23.796  11.363
  655    HB2  LYS  79           HB2      LYS  79  -8.600 -21.451  12.998
  656    HB3  LYS  79           HB1      LYS  79 -10.050 -21.400  11.995
  657    HG2  LYS  79           HG2      LYS  79 -10.899 -23.407  13.253
  658    HG3  LYS  79           HG1      LYS  79  -9.523 -23.247  14.340
  659    HD2  LYS  79           HD2      LYS  79 -11.644 -21.136  13.842
  660    HD3  LYS  79           HD1      LYS  79 -11.499 -22.132  15.289
  661    HE2  LYS  79           HE2      LYS  79  -9.081 -21.155  15.436
  662    HE3  LYS  79           HE1      LYS  79  -9.694 -19.918  14.340
  663    HZ1  LYS  79           HZ1      LYS  79 -11.255 -20.596  16.728
  664    HZ2  LYS  79           HZ2      LYS  79 -11.155 -19.124  15.884
  665    HZ3  LYS  79           HZ3      LYS  79  -9.884 -19.614  16.901
  666    H    ALA  80           HN       ALA  80  -6.577 -21.917  11.427
  667    HA   ALA  80           HA       ALA  80  -7.018 -20.419   9.104
  668    HB1  ALA  80           HB1      ALA  80  -4.375 -21.457  10.148
  669    HB2  ALA  80           HB2      ALA  80  -5.160 -19.968  10.673
  670    HB3  ALA  80           HB3      ALA  80  -4.590 -20.125   9.011
  671    H    LEU  81           HN       LEU  81  -5.498 -23.597   9.553
  672    HA   LEU  81           HA       LEU  81  -4.830 -24.012   6.835
  673    HB2  LEU  81           HB2      LEU  81  -4.129 -25.308   9.022
  674    HB3  LEU  81           HB1      LEU  81  -5.546 -26.294   8.669
  675    HG   LEU  81           HG       LEU  81  -3.260 -25.764   6.741
  676   HD11  LEU  81          HD11      LEU  81  -2.849 -28.252   7.131
  677   HD12  LEU  81          HD12      LEU  81  -3.944 -28.125   8.507
  678   HD13  LEU  81          HD13      LEU  81  -2.448 -27.192   8.482
  679   HD21  LEU  81          HD21      LEU  81  -5.035 -26.235   5.320
  680   HD22  LEU  81          HD22      LEU  81  -5.885 -27.218   6.512
  681   HD23  LEU  81          HD23      LEU  81  -4.484 -27.871   5.660
  682    H    GLY  82           HN       GLY  82  -7.687 -24.853   8.766
  683    HA2  GLY  82           HA2      GLY  82  -9.065 -26.295   6.758
  684    HA3  GLY  82           HA1      GLY  82  -9.807 -25.527   8.160
  685    H    LEU  83           HN       LEU  83  -8.680 -22.886   7.395
  686    HA   LEU  83           HA       LEU  83  -9.390 -21.005   6.282
  687    HB2  LEU  83           HB2      LEU  83  -9.676 -23.017   4.033
  688    HB3  LEU  83           HB1      LEU  83  -9.732 -21.270   3.826
  689    HG   LEU  83           HG       LEU  83  -7.389 -22.670   5.133
  690   HD11  LEU  83          HD11      LEU  83  -7.824 -21.995   2.213
  691   HD12  LEU  83          HD12      LEU  83  -7.572 -23.597   2.904
  692   HD13  LEU  83          HD13      LEU  83  -6.258 -22.419   2.905
  693   HD21  LEU  83          HD21      LEU  83  -7.313 -20.333   5.598
  694   HD22  LEU  83          HD22      LEU  83  -7.885 -19.909   3.988
  695   HD23  LEU  83          HD23      LEU  83  -6.253 -20.532   4.207
  696    H    GLU  84           HN       GLU  84 -11.383 -23.334   7.253
  697    HA   GLU  84           HA       GLU  84 -13.813 -22.798   5.886
  698    HB2  GLU  84           HB2      GLU  84 -13.311 -23.869   8.676
  699    HB3  GLU  84           HB1      GLU  84 -14.876 -23.876   7.863
  700    HG2  GLU  84           HG2      GLU  84 -12.378 -25.220   6.798
  701    HG3  GLU  84           HG1      GLU  84 -13.676 -26.052   7.648
  702    H    HIS  85           HN       HIS  85 -15.372 -21.305   6.221
  703    HA   HIS  85           HA       HIS  85 -15.391 -19.635   8.596
  704    HB2  HIS  85           HB2      HIS  85 -15.114 -17.527   7.401
  705    HB3  HIS  85           HB1      HIS  85 -13.687 -18.537   7.166
  706    HD2  HIS  85           HD2      HIS  85 -16.326 -16.744   5.032
  707    HE1  HIS  85           HE1      HIS  85 -14.360 -19.451   2.456
  708    HE2  HIS  85           HE2      HIS  85 -15.965 -17.484   2.554
  709    H    HIS  86           HN       HIS  86 -16.919 -21.271   6.195
  710    HA   HIS  86           HA       HIS  86 -19.106 -19.592   5.542
  711    HB2  HIS  86           HB2      HIS  86 -18.806 -22.601   5.567
  712    HB3  HIS  86           HB1      HIS  86 -20.239 -21.772   4.959
  713    HD2  HIS  86           HD2      HIS  86 -19.916 -20.543   2.436
  714    HE1  HIS  86           HE1      HIS  86 -15.864 -21.601   1.896
  715    HE2  HIS  86           HE2      HIS  86 -17.905 -20.592   0.771
  716    H    HIS  87           HN       HIS  87 -18.646 -22.031   8.095
  717    HA   HIS  87           HA       HIS  87 -20.450 -20.670   9.852
  718    HB2  HIS  87           HB2      HIS  87 -22.130 -21.729   8.422
  719    HB3  HIS  87           HB1      HIS  87 -21.379 -23.304   8.683
  720    HD2  HIS  87           HD2      HIS  87 -22.259 -20.636  11.505
  721    HE1  HIS  87           HE1      HIS  87 -24.219 -24.271  12.379
  722    HE2  HIS  87           HE2      HIS  87 -23.756 -21.919  13.216
  723    H    HIS  88           HN       HIS  88 -20.188 -24.168   9.716
  724    HA   HIS  88           HA       HIS  88 -19.369 -25.651  11.278
  725    HB2  HIS  88           HB2      HIS  88 -17.022 -23.772  10.944
  726    HB3  HIS  88           HB1      HIS  88 -16.933 -25.350  11.728
  727    HD2  HIS  88           HD2      HIS  88 -16.794 -27.521   9.963
  728    HE1  HIS  88           HE1      HIS  88 -17.360 -25.334   6.396
  729    HE2  HIS  88           HE2      HIS  88 -16.794 -27.617   7.353
  730    H    HIS  89           HN       HIS  89 -17.708 -25.481  13.399
  731    HA   HIS  89           HA       HIS  89 -19.365 -24.539  15.459
  732    HB2  HIS  89           HB2      HIS  89 -17.737 -26.345  15.753
  733    HB3  HIS  89           HB1      HIS  89 -16.415 -25.199  15.537
  734    HD2  HIS  89           HD2      HIS  89 -15.514 -24.286  17.966
  735    HE1  HIS  89           HE1      HIS  89 -19.087 -24.746  20.166
  736    HE2  HIS  89           HE2      HIS  89 -16.650 -24.044  20.305
  737    H    HIS  90           HN       HIS  90 -16.394 -23.100  14.081
  738    HA   HIS  90           HA       HIS  90 -17.289 -20.455  14.787
  739    HB2  HIS  90           HB2      HIS  90 -16.439 -21.177  16.976
  740    HB3  HIS  90           HB1      HIS  90 -14.889 -21.591  16.244
  741    HD2  HIS  90           HD2      HIS  90 -13.125 -19.449  16.070
  742    HE1  HIS  90           HE1      HIS  90 -15.892 -16.363  16.870
  743    HE2  HIS  90           HE2      HIS  90 -13.439 -16.890  16.477
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  -6.233 -12.620  12.143
    2    H2   MET   1           HT2      MET   1  -6.158 -12.541  10.448
    3    H3   MET   1           HT3      MET   1  -7.004 -11.353  11.320
    4    HA   MET   1           HA       MET   1  -4.214 -11.522  10.695
    5    HB2  MET   1           HB2      MET   1  -6.058  -9.373  11.787
    6    HB3  MET   1           HB1      MET   1  -4.389  -9.092  11.291
    7    HG2  MET   1           HG2      MET   1  -5.690  -8.514   9.389
    8    HG3  MET   1           HG1      MET   1  -5.065 -10.124   9.030
    9    HE1  MET   1           HE1      MET   1  -8.004  -8.131   8.407
   10    HE2  MET   1           HE2      MET   1  -8.826  -9.513   7.688
   11    HE3  MET   1           HE3      MET   1  -7.125  -9.223   7.329
   12    H    GLY   2           HN       GLY   2  -6.165 -11.129  13.636
   13    HA2  GLY   2           HA2      GLY   2  -3.790 -10.900  15.314
   14    HA3  GLY   2           HA1      GLY   2  -5.467 -10.848  15.852
   15    H    VAL   3           HN       VAL   3  -2.695 -12.817  15.371
   16    HA   VAL   3           HA       VAL   3  -4.184 -15.176  16.399
   17    HB   VAL   3           HB       VAL   3  -1.970 -15.098  14.337
   18   HG11  VAL   3          HG11      VAL   3  -3.155 -17.364  15.952
   19   HG12  VAL   3          HG12      VAL   3  -1.454 -16.954  15.735
   20   HG13  VAL   3          HG13      VAL   3  -2.372 -17.642  14.395
   21   HG21  VAL   3          HG21      VAL   3  -4.725 -16.344  14.187
   22   HG22  VAL   3          HG22      VAL   3  -3.606 -16.030  12.861
   23   HG23  VAL   3          HG23      VAL   3  -4.409 -14.686  13.674
   24    H    TRP   4           HN       TRP   4  -3.395 -16.054  18.186
   25    HA   TRP   4           HA       TRP   4  -1.001 -14.891  19.398
   26    HB2  TRP   4           HB2      TRP   4  -2.879 -16.959  20.543
   27    HB3  TRP   4           HB1      TRP   4  -1.734 -15.944  21.421
   28    HD1  TRP   4           HD1      TRP   4  -5.256 -16.063  20.402
   29    HE1  TRP   4           HE1      TRP   4  -6.384 -13.764  20.705
   30    HE3  TRP   4           HE3      TRP   4  -1.127 -13.140  21.097
   31    HZ2  TRP   4           HZ2      TRP   4  -5.633 -11.045  21.180
   32    HZ3  TRP   4           HZ3      TRP   4  -1.361 -10.702  21.471
   33    HH2  TRP   4           HH2      TRP   4  -3.606  -9.651  21.513
   34    H    THR   5           HN       THR   5   0.858 -15.947  19.780
   35    HA   THR   5           HA       THR   5   1.319 -18.675  19.899
   36    HB   THR   5           HB       THR   5   2.560 -18.242  17.322
   37    HG1  THR   5           HG1      THR   5   0.070 -18.253  16.533
   38   HG21  THR   5          HG21      THR   5   1.933 -20.407  18.304
   39   HG22  THR   5          HG22      THR   5   1.240 -20.192  16.696
   40   HG23  THR   5          HG23      THR   5   0.228 -19.988  18.125
   41    HA   PRO   6           HA       PRO   6   5.426 -16.109  18.795
   42    HB2  PRO   6           HB2      PRO   6   4.149 -13.495  19.571
   43    HB3  PRO   6           HB1      PRO   6   5.439 -13.806  18.387
   44    HG2  PRO   6           HG2      PRO   6   2.979 -13.347  17.563
   45    HG3  PRO   6           HG1      PRO   6   3.951 -14.616  16.796
   46    HD2  PRO   6           HD2      PRO   6   1.704 -14.869  18.744
   47    HD3  PRO   6           HD1      PRO   6   2.131 -15.913  17.368
   48    H    GLU   7           HN       GLU   7   6.796 -14.785  20.446
   49    HA   GLU   7           HA       GLU   7   6.857 -16.027  22.886
   50    HB2  GLU   7           HB2      GLU   7   7.718 -13.216  22.182
   51    HB3  GLU   7           HB1      GLU   7   8.116 -14.011  23.705
   52    HG2  GLU   7           HG2      GLU   7   9.262 -15.808  22.509
   53    HG3  GLU   7           HG1      GLU   7   8.806 -15.098  20.962
   54    H    VAL   8           HN       VAL   8   4.605 -13.709  21.807
   55    HA   VAL   8           HA       VAL   8   3.839 -12.467  24.210
   56    HB   VAL   8           HB       VAL   8   1.727 -11.987  23.093
   57   HG11  VAL   8          HG11      VAL   8   4.172 -11.914  21.308
   58   HG12  VAL   8          HG12      VAL   8   3.561 -10.627  22.347
   59   HG13  VAL   8          HG13      VAL   8   2.661 -11.098  20.905
   60   HG21  VAL   8          HG21      VAL   8   1.430 -13.018  20.751
   61   HG22  VAL   8          HG22      VAL   8   1.115 -14.074  22.126
   62   HG23  VAL   8          HG23      VAL   8   2.636 -14.204  21.246
   63    H    LEU   9           HN       LEU   9   3.036 -15.598  22.814
   64    HA   LEU   9           HA       LEU   9   0.891 -16.248  24.503
   65    HB2  LEU   9           HB2      LEU   9   1.409 -17.567  22.507
   66    HB3  LEU   9           HB1      LEU   9   2.955 -18.053  23.201
   67    HG   LEU   9           HG       LEU   9   1.798 -19.234  25.020
   68   HD11  LEU   9          HD11      LEU   9  -0.176 -18.065  25.469
   69   HD12  LEU   9          HD12      LEU   9  -0.803 -19.469  24.607
   70   HD13  LEU   9          HD13      LEU   9  -0.611 -17.928  23.767
   71   HD21  LEU   9          HD21      LEU   9   0.617 -19.936  22.320
   72   HD22  LEU   9          HD22      LEU   9   0.781 -21.018  23.703
   73   HD23  LEU   9          HD23      LEU   9   2.219 -20.417  22.878
   74    H    LYS  10           HN       LYS  10   4.362 -16.985  24.787
   75    HA   LYS  10           HA       LYS  10   4.163 -18.236  27.330
   76    HB2  LYS  10           HB2      LYS  10   6.500 -16.930  25.929
   77    HB3  LYS  10           HB1      LYS  10   6.635 -17.866  27.418
   78    HG2  LYS  10           HG2      LYS  10   5.440 -19.757  26.121
   79    HG3  LYS  10           HG1      LYS  10   5.810 -18.822  24.672
   80    HD2  LYS  10           HD2      LYS  10   7.803 -19.887  26.691
   81    HD3  LYS  10           HD1      LYS  10   7.582 -20.449  25.034
   82    HE2  LYS  10           HE2      LYS  10   8.665 -17.788  25.968
   83    HE3  LYS  10           HE1      LYS  10   9.452 -18.984  24.940
   84    HZ1  LYS  10           HZ1      LYS  10   7.629 -18.580  23.306
   85    HZ2  LYS  10           HZ2      LYS  10   8.674 -17.261  23.544
   86    HZ3  LYS  10           HZ3      LYS  10   7.133 -17.269  24.260
   87    H    ALA  11           HN       ALA  11   4.862 -14.937  26.276
   88    HA   ALA  11           HA       ALA  11   5.662 -13.719  28.594
   89    HB1  ALA  11           HB1      ALA  11   3.560 -12.542  26.764
   90    HB2  ALA  11           HB2      ALA  11   5.274 -12.612  26.356
   91    HB3  ALA  11           HB3      ALA  11   4.737 -11.671  27.748
   92    H    ARG  12           HN       ARG  12   2.662 -15.257  27.981
   93    HA   ARG  12           HA       ARG  12   1.039 -13.900  29.884
   94    HB2  ARG  12           HB2      ARG  12   0.839 -16.757  28.891
   95    HB3  ARG  12           HB1      ARG  12  -0.446 -15.835  29.670
   96    HG2  ARG  12           HG2      ARG  12   0.887 -14.849  27.144
   97    HG3  ARG  12           HG1      ARG  12  -0.479 -15.961  27.086
   98    HD2  ARG  12           HD2      ARG  12  -1.785 -14.339  28.481
   99    HD3  ARG  12           HD1      ARG  12  -0.446 -13.208  28.359
  100    HE   ARG  12           HE       ARG  12  -2.291 -13.952  26.227
  101   HH11  ARG  12          HH21      ARG  12   0.653 -12.418  27.211
  102   HH12  ARG  12          HH22      ARG  12   0.757 -11.410  25.807
  103   HH21  ARG  12          HH11      ARG  12  -2.161 -12.632  24.388
  104   HH22  ARG  12          HH12      ARG  12  -0.834 -11.533  24.208
  105    H    ALA  13           HN       ALA  13   2.589 -17.102  30.057
  106    HA   ALA  13           HA       ALA  13   2.379 -17.041  32.984
  107    HB1  ALA  13           HB1      ALA  13   3.340 -19.200  31.091
  108    HB2  ALA  13           HB2      ALA  13   1.756 -19.114  31.861
  109    HB3  ALA  13           HB3      ALA  13   3.198 -19.370  32.841
  110    H    SER  14           HN       SER  14   4.812 -17.194  30.426
  111    HA   SER  14           HA       SER  14   7.041 -17.226  32.232
  112    HB2  SER  14           HB2      SER  14   7.114 -16.431  29.322
  113    HB3  SER  14           HB1      SER  14   8.410 -17.123  30.294
  114    HG   SER  14           HG       SER  14   6.021 -18.550  30.106
  115    H    VAL  15           HN       VAL  15   4.847 -14.903  31.644
  116    HA   VAL  15           HA       VAL  15   4.769 -12.647  32.033
  117    HB   VAL  15           HB       VAL  15   7.599 -12.867  33.057
  118   HG11  VAL  15          HG11      VAL  15   5.243 -11.079  33.713
  119   HG12  VAL  15          HG12      VAL  15   6.711 -10.606  32.860
  120   HG13  VAL  15          HG13      VAL  15   6.787 -11.058  34.564
  121   HG21  VAL  15          HG21      VAL  15   6.471 -14.626  34.193
  122   HG22  VAL  15          HG22      VAL  15   4.978 -13.696  34.319
  123   HG23  VAL  15          HG23      VAL  15   6.380 -13.253  35.295
  124    H    ILE  16           HN       ILE  16   8.209 -13.163  31.229
  125    HA   ILE  16           HA       ILE  16   7.837 -11.432  28.846
  126    HB   ILE  16           HB       ILE  16   8.993 -10.265  30.738
  127   HG12  ILE  16          HG12      ILE  16  10.856 -10.837  28.419
  128   HG13  ILE  16          HG11      ILE  16   9.419  -9.827  28.262
  129   HG21  ILE  16          HG21      ILE  16  10.106 -12.427  31.531
  130   HG22  ILE  16          HG22      ILE  16  11.137 -10.998  31.487
  131   HG23  ILE  16          HG23      ILE  16  11.249 -12.206  30.208
  132   HD11  ILE  16          HD11      ILE  16  10.279  -8.397  30.125
  133   HD12  ILE  16          HD12      ILE  16  11.326  -8.391  28.707
  134   HD13  ILE  16          HD13      ILE  16  11.762  -9.351  30.121
  135    H    GLY  17           HN       GLY  17   8.644 -12.186  26.995
  136    HA2  GLY  17           HA2      GLY  17   9.474 -14.875  26.746
  137    HA3  GLY  17           HA1      GLY  17   9.579 -13.649  25.486
  138    H    LYS  18           HN       LYS  18  11.492 -15.770  26.249
  139    HA   LYS  18           HA       LYS  18  13.871 -14.242  26.029
  140    HB2  LYS  18           HB2      LYS  18  13.109 -14.179  28.574
  141    HB3  LYS  18           HB1      LYS  18  13.881 -15.762  28.617
  142    HG2  LYS  18           HG2      LYS  18  15.165 -13.178  27.677
  143    HG3  LYS  18           HG1      LYS  18  15.504 -14.008  29.196
  144    HD2  LYS  18           HD2      LYS  18  16.134 -16.044  27.768
  145    HD3  LYS  18           HD1      LYS  18  16.116 -14.948  26.387
  146    HE2  LYS  18           HE2      LYS  18  17.716 -13.465  27.675
  147    HE3  LYS  18           HE1      LYS  18  17.866 -14.775  28.845
  148    HZ1  LYS  18           HZ1      LYS  18  18.713 -14.701  26.026
  149    HZ2  LYS  18           HZ2      LYS  18  18.361 -16.190  26.764
  150    HZ3  LYS  18           HZ3      LYS  18  19.586 -15.196  27.393
  151    HA   PRO  19           HA       PRO  19  14.094 -18.669  24.751
  152    HB2  PRO  19           HB2      PRO  19  14.634 -18.259  22.110
  153    HB3  PRO  19           HB1      PRO  19  12.984 -18.266  22.765
  154    HG2  PRO  19           HG2      PRO  19  14.691 -15.969  21.969
  155    HG3  PRO  19           HG1      PRO  19  12.935 -16.158  21.866
  156    HD2  PRO  19           HD2      PRO  19  14.300 -14.718  23.846
  157    HD3  PRO  19           HD1      PRO  19  12.615 -15.271  23.963
  158    H    ILE  20           HN       ILE  20  15.977 -19.558  25.363
  159    HA   ILE  20           HA       ILE  20  18.496 -18.168  24.947
  160    HB   ILE  20           HB       ILE  20  19.453 -20.009  26.274
  161   HG12  ILE  20          HG12      ILE  20  16.586 -20.983  26.450
  162   HG13  ILE  20          HG11      ILE  20  17.822 -21.720  25.431
  163   HG21  ILE  20          HG21      ILE  20  16.932 -19.018  27.618
  164   HG22  ILE  20          HG22      ILE  20  18.277 -17.934  27.265
  165   HG23  ILE  20          HG23      ILE  20  18.514 -19.310  28.340
  166   HD11  ILE  20          HD11      ILE  20  19.242 -21.970  27.533
  167   HD12  ILE  20          HD12      ILE  20  17.806 -22.991  27.462
  168   HD13  ILE  20          HD13      ILE  20  17.802 -21.531  28.451
  169    H    GLY  21           HN       GLY  21  20.249 -18.941  23.773
  170    HA2  GLY  21           HA2      GLY  21  19.724 -20.123  21.301
  171    HA3  GLY  21           HA1      GLY  21  21.316 -20.017  22.041
  172    H    GLU  22           HN       GLU  22  18.872 -22.098  21.036
  173    HA   GLU  22           HA       GLU  22  20.277 -24.449  21.513
  174    HB2  GLU  22           HB2      GLU  22  18.945 -23.476  23.890
  175    HB3  GLU  22           HB1      GLU  22  18.151 -24.966  23.389
  176    HG2  GLU  22           HG2      GLU  22  21.146 -24.650  23.729
  177    HG3  GLU  22           HG1      GLU  22  20.069 -25.361  24.933
  178    H    SER  23           HN       SER  23  18.337 -26.329  21.856
  179    HA   SER  23           HA       SER  23  16.907 -26.145  19.352
  180    HB2  SER  23           HB2      SER  23  17.934 -28.266  20.076
  181    HB3  SER  23           HB1      SER  23  16.855 -28.307  21.468
  182    HG   SER  23           HG       SER  23  15.932 -29.508  19.828
  183    H    TYR  24           HN       TYR  24  16.271 -25.404  22.628
  184    HA   TYR  24           HA       TYR  24  13.516 -25.940  22.802
  185    HB2  TYR  24           HB2      TYR  24  14.811 -25.359  24.776
  186    HB3  TYR  24           HB1      TYR  24  15.152 -23.758  24.119
  187    HD1  TYR  24           HD2      TYR  24  12.523 -25.962  25.508
  188    HD2  TYR  24           HD1      TYR  24  13.473 -22.014  24.104
  189    HE1  TYR  24           HE2      TYR  24  10.400 -25.109  26.466
  190    HE2  TYR  24           HE1      TYR  24  11.350 -21.162  25.062
  191    HH   TYR  24           HH       TYR  24   9.183 -21.977  25.738
  192    H    LYS  25           HN       LYS  25  15.251 -23.044  21.703
  193    HA   LYS  25           HA       LYS  25  12.828 -21.622  21.094
  194    HB2  LYS  25           HB2      LYS  25  14.265 -19.887  20.272
  195    HB3  LYS  25           HB1      LYS  25  15.017 -20.541  21.725
  196    HG2  LYS  25           HG2      LYS  25  16.442 -21.981  20.297
  197    HG3  LYS  25           HG1      LYS  25  15.760 -21.225  18.863
  198    HD2  LYS  25           HD2      LYS  25  16.511 -19.001  19.828
  199    HD3  LYS  25           HD1      LYS  25  17.418 -19.925  21.025
  200    HE2  LYS  25           HE2      LYS  25  17.731 -20.142  18.015
  201    HE3  LYS  25           HE1      LYS  25  18.859 -19.348  19.113
  202    HZ1  LYS  25           HZ1      LYS  25  19.573 -21.323  19.960
  203    HZ2  LYS  25           HZ2      LYS  25  19.203 -21.819  18.378
  204    HZ3  LYS  25           HZ3      LYS  25  18.116 -22.131  19.646
  205    H    ARG  26           HN       ARG  26  14.030 -24.268  19.706
  206    HA   ARG  26           HA       ARG  26  14.186 -23.634  16.966
  207    HB2  ARG  26           HB2      ARG  26  15.045 -25.723  18.041
  208    HB3  ARG  26           HB1      ARG  26  13.377 -26.267  18.211
  209    HG2  ARG  26           HG2      ARG  26  14.506 -25.426  15.535
  210    HG3  ARG  26           HG1      ARG  26  14.668 -27.077  16.124
  211    HD2  ARG  26           HD2      ARG  26  11.970 -26.661  16.525
  212    HD3  ARG  26           HD1      ARG  26  12.262 -25.680  15.094
  213    HE   ARG  26           HE       ARG  26  12.317 -28.539  15.252
  214   HH11  ARG  26          HH21      ARG  26  13.552 -25.725  13.661
  215   HH12  ARG  26          HH22      ARG  26  13.871 -26.545  12.169
  216   HH21  ARG  26          HH11      ARG  26  12.730 -29.615  13.312
  217   HH22  ARG  26          HH12      ARG  26  13.404 -28.749  11.971
  218    H    ILE  27           HN       ILE  27  11.539 -24.884  18.978
  219    HA   ILE  27           HA       ILE  27   9.639 -24.984  16.886
  220    HB   ILE  27           HB       ILE  27   7.967 -25.089  18.768
  221   HG12  ILE  27          HG12      ILE  27  10.490 -24.895  20.445
  222   HG13  ILE  27          HG11      ILE  27   9.237 -23.660  20.345
  223   HG21  ILE  27          HG21      ILE  27   9.144 -27.095  17.827
  224   HG22  ILE  27          HG22      ILE  27   8.702 -27.278  19.526
  225   HG23  ILE  27          HG23      ILE  27  10.370 -26.913  19.084
  226   HD11  ILE  27          HD11      ILE  27   7.582 -25.328  21.168
  227   HD12  ILE  27          HD12      ILE  27   8.861 -24.983  22.333
  228   HD13  ILE  27          HD13      ILE  27   8.903 -26.474  21.393
  229    H    LEU  28           HN       LEU  28  10.479 -22.557  19.279
  230    HA   LEU  28           HA       LEU  28   8.393 -20.743  18.704
  231    HB2  LEU  28           HB2      LEU  28  11.087 -20.517  20.019
  232    HB3  LEU  28           HB1      LEU  28  10.125 -19.070  19.729
  233    HG   LEU  28           HG       LEU  28   8.802 -21.441  21.049
  234   HD11  LEU  28          HD11      LEU  28   9.509 -20.607  23.256
  235   HD12  LEU  28          HD12      LEU  28  10.537 -19.404  22.477
  236   HD13  LEU  28          HD13      LEU  28  10.900 -21.120  22.301
  237   HD21  LEU  28          HD21      LEU  28   8.515 -18.477  21.610
  238   HD22  LEU  28          HD22      LEU  28   7.364 -19.763  21.961
  239   HD23  LEU  28          HD23      LEU  28   7.641 -19.260  20.296
  240    H    ALA  29           HN       ALA  29  11.592 -21.240  17.350
  241    HA   ALA  29           HA       ALA  29  11.827 -18.879  15.866
  242    HB1  ALA  29           HB1      ALA  29  13.283 -20.313  14.343
  243    HB2  ALA  29           HB2      ALA  29  12.875 -21.669  15.395
  244    HB3  ALA  29           HB3      ALA  29  13.742 -20.277  16.045
  245    H    LYS  30           HN       LYS  30   9.995 -21.800  15.272
  246    HA   LYS  30           HA       LYS  30   9.457 -21.405  12.526
  247    HB2  LYS  30           HB2      LYS  30   7.805 -22.792  14.652
  248    HB3  LYS  30           HB1      LYS  30   7.532 -22.923  12.917
  249    HG2  LYS  30           HG2      LYS  30  10.183 -23.597  14.198
  250    HG3  LYS  30           HG1      LYS  30   8.908 -24.795  13.984
  251    HD2  LYS  30           HD2      LYS  30   8.922 -24.065  11.495
  252    HD3  LYS  30           HD1      LYS  30  10.471 -23.315  11.864
  253    HE2  LYS  30           HE2      LYS  30  11.083 -25.446  11.120
  254    HE3  LYS  30           HE1      LYS  30  11.097 -25.625  12.875
  255    HZ1  LYS  30           HZ1      LYS  30   8.542 -26.102  11.595
  256    HZ2  LYS  30           HZ2      LYS  30   9.317 -26.967  12.836
  257    HZ3  LYS  30           HZ3      LYS  30   9.752 -27.227  11.215
  258    H    LEU  31           HN       LEU  31   7.863 -20.266  15.448
  259    HA   LEU  31           HA       LEU  31   5.550 -19.201  14.259
  260    HB2  LEU  31           HB2      LEU  31   7.086 -18.558  16.769
  261    HB3  LEU  31           HB1      LEU  31   5.688 -17.594  16.310
  262    HG   LEU  31           HG       LEU  31   4.255 -19.537  16.332
  263   HD11  LEU  31          HD11      LEU  31   6.853 -21.039  16.720
  264   HD12  LEU  31          HD12      LEU  31   5.659 -21.251  15.439
  265   HD13  LEU  31          HD13      LEU  31   5.285 -21.759  17.086
  266   HD21  LEU  31          HD21      LEU  31   5.083 -18.396  18.536
  267   HD22  LEU  31          HD22      LEU  31   5.965 -19.899  18.794
  268   HD23  LEU  31          HD23      LEU  31   4.206 -19.919  18.653
  269    H    GLN  32           HN       GLN  32   8.755 -17.794  14.807
  270    HA   GLN  32           HA       GLN  32   8.180 -15.177  13.953
  271    HB2  GLN  32           HB2      GLN  32  10.728 -16.802  13.869
  272    HB3  GLN  32           HB1      GLN  32  10.656 -15.092  13.441
  273    HG2  GLN  32           HG2      GLN  32   9.788 -14.546  15.666
  274    HG3  GLN  32           HG1      GLN  32   9.777 -16.254  16.101
  275   HE21  GLN  32          HE21      GLN  32  11.474 -16.515  17.574
  276   HE22  GLN  32          HE22      GLN  32  13.052 -15.940  17.333
  277    H    ARG  33           HN       ARG  33   9.327 -18.019  12.141
  278    HA   ARG  33           HA       ARG  33   9.426 -16.666   9.624
  279    HB2  ARG  33           HB2      ARG  33  10.713 -18.733  10.103
  280    HB3  ARG  33           HB1      ARG  33   9.198 -19.633  10.181
  281    HG2  ARG  33           HG2      ARG  33   8.691 -19.035   7.855
  282    HG3  ARG  33           HG1      ARG  33  10.165 -18.069   7.769
  283    HD2  ARG  33           HD2      ARG  33  10.128 -21.033   8.385
  284    HD3  ARG  33           HD1      ARG  33  10.384 -20.371   6.773
  285    HE   ARG  33           HE       ARG  33  12.234 -19.111   8.411
  286   HH11  ARG  33          HH21      ARG  33  11.393 -22.336   7.484
  287   HH12  ARG  33          HH22      ARG  33  13.009 -22.944   7.615
  288   HH21  ARG  33          HH11      ARG  33  14.358 -19.900   8.583
  289   HH22  ARG  33          HH12      ARG  33  14.689 -21.564   8.236
  290    H    ILE  34           HN       ILE  34   7.053 -18.751  11.223
  291    HA   ILE  34           HA       ILE  34   5.211 -18.813   9.058
  292    HB   ILE  34           HB       ILE  34   4.854 -19.308  12.022
  293   HG12  ILE  34          HG12      ILE  34   4.890 -21.258   9.702
  294   HG13  ILE  34          HG11      ILE  34   6.336 -20.858  10.626
  295   HG21  ILE  34          HG21      ILE  34   2.736 -20.496  11.188
  296   HG22  ILE  34          HG22      ILE  34   2.942 -19.581   9.694
  297   HG23  ILE  34          HG23      ILE  34   2.685 -18.733  11.218
  298   HD11  ILE  34          HD11      ILE  34   5.369 -21.697  12.658
  299   HD12  ILE  34          HD12      ILE  34   5.114 -22.920  11.418
  300   HD13  ILE  34          HD13      ILE  34   3.785 -21.870  11.900
  301    H    HIS  35           HN       HIS  35   5.920 -16.506  11.531
  302    HA   HIS  35           HA       HIS  35   3.476 -15.150  11.729
  303    HB2  HIS  35           HB2      HIS  35   5.411 -14.731  13.211
  304    HB3  HIS  35           HB1      HIS  35   6.270 -13.990  11.861
  305    HD2  HIS  35           HD2      HIS  35   5.654 -11.312  11.456
  306    HE1  HIS  35           HE1      HIS  35   2.337 -11.112  14.060
  307    HE2  HIS  35           HE2      HIS  35   3.880  -9.753  12.569
  308    H    ASN  36           HN       ASN  36   6.232 -14.581   9.543
  309    HA   ASN  36           HA       ASN  36   4.953 -12.466   8.108
  310    HB2  ASN  36           HB2      ASN  36   6.791 -12.830   6.460
  311    HB3  ASN  36           HB1      ASN  36   7.366 -12.619   8.113
  312   HD21  ASN  36          HD21      ASN  36   8.907 -14.138   8.711
  313   HD22  ASN  36          HD22      ASN  36   9.026 -15.708   8.080
  314    H    SER  37           HN       SER  37   5.294 -15.951   7.601
  315    HA   SER  37           HA       SER  37   3.710 -15.814   5.134
  316    HB2  SER  37           HB2      SER  37   5.173 -18.090   6.488
  317    HB3  SER  37           HB1      SER  37   4.213 -18.258   5.020
  318    HG   SER  37           HG       SER  37   6.583 -16.782   5.453
  319    H    ASN  38           HN       ASN  38   2.747 -15.428   8.043
  320    HA   ASN  38           HA       ASN  38   1.207 -17.481   8.990
  321    HB2  ASN  38           HB2      ASN  38  -0.284 -15.801   9.933
  322    HB3  ASN  38           HB1      ASN  38   1.379 -15.225  10.027
  323   HD21  ASN  38          HD21      ASN  38  -1.035 -13.521   9.952
  324   HD22  ASN  38          HD22      ASN  38  -0.905 -12.569   8.553
  325    H    ILE  39           HN       ILE  39  -0.263 -18.752   8.089
  326    HA   ILE  39           HA       ILE  39  -1.947 -19.528   6.740
  327    HB   ILE  39           HB       ILE  39  -2.741 -16.644   6.370
  328   HG12  ILE  39          HG12      ILE  39  -3.375 -18.497   8.658
  329   HG13  ILE  39          HG11      ILE  39  -2.333 -17.083   8.761
  330   HG21  ILE  39          HG21      ILE  39  -4.442 -19.128   6.632
  331   HG22  ILE  39          HG22      ILE  39  -3.860 -18.543   5.074
  332   HG23  ILE  39          HG23      ILE  39  -4.935 -17.540   6.046
  333   HD11  ILE  39          HD11      ILE  39  -4.313 -15.720   7.923
  334   HD12  ILE  39          HD12      ILE  39  -4.480 -16.381   9.550
  335   HD13  ILE  39          HD13      ILE  39  -5.304 -17.154   8.194
  336    H    LEU  40           HN       LEU  40   0.282 -19.642   5.416
  337    HA   LEU  40           HA       LEU  40  -0.230 -18.365   2.794
  338    HB2  LEU  40           HB2      LEU  40   1.884 -17.634   3.919
  339    HB3  LEU  40           HB1      LEU  40   2.436 -19.306   3.868
  340    HG   LEU  40           HG       LEU  40   2.169 -19.276   1.392
  341   HD11  LEU  40          HD11      LEU  40   0.610 -17.662   0.804
  342   HD12  LEU  40          HD12      LEU  40   2.089 -16.761   0.502
  343   HD13  LEU  40          HD13      LEU  40   1.190 -16.502   1.998
  344   HD21  LEU  40          HD21      LEU  40   3.899 -16.981   2.316
  345   HD22  LEU  40          HD22      LEU  40   4.179 -18.068   0.956
  346   HD23  LEU  40          HD23      LEU  40   4.320 -18.669   2.609
  347    H    ASP  41           HN       ASP  41  -0.738 -19.688   1.184
  348    HA   ASP  41           HA       ASP  41  -1.205 -22.379   1.423
  349    HB2  ASP  41           HB2      ASP  41  -1.114 -22.488  -1.045
  350    HB3  ASP  41           HB1      ASP  41  -2.015 -21.084  -0.473
  351    H    GLU  42           HN       GLU  42   1.817 -20.805   0.675
  352    HA   GLU  42           HA       GLU  42   3.213 -23.159  -0.116
  353    HB2  GLU  42           HB2      GLU  42   4.114 -20.449   0.836
  354    HB3  GLU  42           HB1      GLU  42   5.244 -21.714   0.353
  355    HG2  GLU  42           HG2      GLU  42   4.242 -21.808  -1.870
  356    HG3  GLU  42           HG1      GLU  42   3.022 -20.627  -1.400
  357    H    ARG  43           HN       ARG  43   3.405 -21.224   2.867
  358    HA   ARG  43           HA       ARG  43   4.861 -23.285   4.258
  359    HB2  ARG  43           HB2      ARG  43   3.640 -20.705   5.262
  360    HB3  ARG  43           HB1      ARG  43   4.696 -21.762   6.196
  361    HG2  ARG  43           HG2      ARG  43   5.471 -20.501   3.548
  362    HG3  ARG  43           HG1      ARG  43   5.914 -19.848   5.121
  363    HD2  ARG  43           HD2      ARG  43   6.870 -22.267   5.547
  364    HD3  ARG  43           HD1      ARG  43   6.868 -22.363   3.787
  365    HE   ARG  43           HE       ARG  43   8.120 -19.979   4.855
  366   HH11  ARG  43          HH21      ARG  43   8.445 -23.286   3.884
  367   HH12  ARG  43          HH22      ARG  43  10.144 -23.172   3.569
  368   HH21  ARG  43          HH11      ARG  43  10.350 -19.823   4.449
  369   HH22  ARG  43          HH12      ARG  43  11.222 -21.211   3.891
  370    H    GLN  44           HN       GLN  44   1.604 -22.714   3.625
  371    HA   GLN  44           HA       GLN  44   0.203 -23.369   5.860
  372    HB2  GLN  44           HB2      GLN  44  -0.180 -23.773   2.967
  373    HB3  GLN  44           HB1      GLN  44  -1.069 -24.946   3.932
  374    HG2  GLN  44           HG2      GLN  44  -1.182 -21.958   4.409
  375    HG3  GLN  44           HG1      GLN  44  -2.355 -22.838   3.429
  376   HE21  GLN  44          HE21      GLN  44  -1.912 -21.661   6.510
  377   HE22  GLN  44          HE22      GLN  44  -2.886 -22.754   7.367
  378    H    GLY  45           HN       GLY  45   2.139 -25.544   3.889
  379    HA2  GLY  45           HA2      GLY  45   1.327 -27.965   5.122
  380    HA3  GLY  45           HA1      GLY  45   2.818 -27.721   4.212
  381    H    LEU  46           HN       LEU  46   3.686 -25.501   5.908
  382    HA   LEU  46           HA       LEU  46   5.221 -26.926   7.750
  383    HB2  LEU  46           HB2      LEU  46   5.444 -24.445   6.761
  384    HB3  LEU  46           HB1      LEU  46   4.601 -24.019   8.248
  385    HG   LEU  46           HG       LEU  46   7.004 -23.901   8.647
  386   HD11  LEU  46          HD11      LEU  46   5.357 -24.967  10.358
  387   HD12  LEU  46          HD12      LEU  46   7.085 -25.173  10.632
  388   HD13  LEU  46          HD13      LEU  46   6.142 -26.487   9.941
  389   HD21  LEU  46          HD21      LEU  46   7.227 -25.935   6.785
  390   HD22  LEU  46          HD22      LEU  46   7.503 -26.814   8.287
  391   HD23  LEU  46          HD23      LEU  46   8.519 -25.436   7.873
  392    H    MET  47           HN       MET  47   2.225 -25.103   8.142
  393    HA   MET  47           HA       MET  47   2.037 -25.294  10.947
  394    HB2  MET  47           HB2      MET  47  -0.004 -24.946   8.754
  395    HB3  MET  47           HB1      MET  47  -0.482 -25.036  10.449
  396    HG2  MET  47           HG2      MET  47  -0.177 -22.696   9.766
  397    HG3  MET  47           HG1      MET  47   1.025 -23.152  10.974
  398    HE1  MET  47           HE1      MET  47   2.082 -20.773   7.665
  399    HE2  MET  47           HE2      MET  47   1.001 -20.729   9.055
  400    HE3  MET  47           HE3      MET  47   0.484 -21.527   7.572
  401    H    HIS  48           HN       HIS  48   0.932 -27.436   8.349
  402    HA   HIS  48           HA       HIS  48  -0.547 -29.230   9.935
  403    HB2  HIS  48           HB2      HIS  48   0.990 -29.708   7.370
  404    HB3  HIS  48           HB1      HIS  48  -0.169 -30.836   8.070
  405    HD2  HIS  48           HD2      HIS  48  -2.893 -30.069   7.798
  406    HE1  HIS  48           HE1      HIS  48  -2.149 -26.599   5.512
  407    HE2  HIS  48           HE2      HIS  48  -3.958 -28.163   6.364
  408    H    GLU  49           HN       GLU  49   2.837 -29.432   8.812
  409    HA   GLU  49           HA       GLU  49   3.414 -31.798  10.290
  410    HB2  GLU  49           HB2      GLU  49   5.221 -29.707   9.065
  411    HB3  GLU  49           HB1      GLU  49   5.796 -31.212   9.783
  412    HG2  GLU  49           HG2      GLU  49   3.763 -31.079   7.546
  413    HG3  GLU  49           HG1      GLU  49   5.488 -31.332   7.288
  414    H    LEU  50           HN       LEU  50   3.829 -28.357  10.906
  415    HA   LEU  50           HA       LEU  50   5.382 -28.562  13.219
  416    HB2  LEU  50           HB2      LEU  50   5.057 -26.463  12.023
  417    HB3  LEU  50           HB1      LEU  50   3.361 -26.431  12.492
  418    HG   LEU  50           HG       LEU  50   4.042 -26.349  14.864
  419   HD11  LEU  50          HD11      LEU  50   6.611 -25.708  15.126
  420   HD12  LEU  50          HD12      LEU  50   6.770 -26.643  13.639
  421   HD13  LEU  50          HD13      LEU  50   6.107 -27.397  15.087
  422   HD21  LEU  50          HD21      LEU  50   4.756 -24.066  14.890
  423   HD22  LEU  50          HD22      LEU  50   3.752 -24.262  13.452
  424   HD23  LEU  50          HD23      LEU  50   5.511 -24.221  13.305
  425    H    MET  51           HN       MET  51   1.900 -28.655  12.701
  426    HA   MET  51           HA       MET  51   0.959 -28.404  15.291
  427    HB2  MET  51           HB2      MET  51  -0.475 -28.565  13.278
  428    HB3  MET  51           HB1      MET  51  -0.092 -30.281  13.158
  429    HG2  MET  51           HG2      MET  51  -1.041 -30.608  15.455
  430    HG3  MET  51           HG1      MET  51  -1.504 -28.907  15.459
  431    HE1  MET  51           HE1      MET  51  -4.363 -28.519  13.142
  432    HE2  MET  51           HE2      MET  51  -2.689 -28.016  12.933
  433    HE3  MET  51           HE3      MET  51  -3.433 -27.939  14.528
  434    H    GLU  52           HN       GLU  52   1.997 -31.377  13.615
  435    HA   GLU  52           HA       GLU  52   1.561 -33.101  15.825
  436    HB2  GLU  52           HB2      GLU  52   3.251 -33.308  13.333
  437    HB3  GLU  52           HB1      GLU  52   3.219 -34.596  14.537
  438    HG2  GLU  52           HG2      GLU  52   1.565 -35.188  12.931
  439    HG3  GLU  52           HG1      GLU  52   0.661 -34.542  14.299
  440    H    LEU  53           HN       LEU  53   4.414 -31.363  14.671
  441    HA   LEU  53           HA       LEU  53   6.241 -32.422  16.545
  442    HB2  LEU  53           HB2      LEU  53   6.221 -29.778  15.072
  443    HB3  LEU  53           HB1      LEU  53   7.590 -30.386  16.005
  444    HG   LEU  53           HG       LEU  53   6.298 -31.904  13.721
  445   HD11  LEU  53          HD11      LEU  53   7.368 -29.781  12.965
  446   HD12  LEU  53          HD12      LEU  53   8.199 -31.214  12.360
  447   HD13  LEU  53          HD13      LEU  53   8.875 -30.310  13.714
  448   HD21  LEU  53          HD21      LEU  53   7.425 -33.547  14.907
  449   HD22  LEU  53          HD22      LEU  53   8.601 -32.423  15.585
  450   HD23  LEU  53          HD23      LEU  53   8.757 -32.965  13.914
  451    H    ILE  54           HN       ILE  54   4.074 -29.642  16.647
  452    HA   ILE  54           HA       ILE  54   5.051 -28.513  19.019
  453    HB   ILE  54           HB       ILE  54   2.397 -28.407  17.609
  454   HG12  ILE  54          HG12      ILE  54   4.621 -27.139  16.958
  455   HG13  ILE  54          HG11      ILE  54   3.086 -26.279  16.958
  456   HG21  ILE  54          HG21      ILE  54   1.907 -26.511  19.322
  457   HG22  ILE  54          HG22      ILE  54   3.105 -27.312  20.325
  458   HG23  ILE  54          HG23      ILE  54   1.648 -28.176  19.848
  459   HD11  ILE  54          HD11      ILE  54   3.542 -25.140  18.932
  460   HD12  ILE  54          HD12      ILE  54   5.125 -25.171  18.157
  461   HD13  ILE  54          HD13      ILE  54   4.752 -26.304  19.458
  462    H    ASP  55           HN       ASP  55   2.437 -30.849  18.475
  463    HA   ASP  55           HA       ASP  55   1.674 -31.086  21.176
  464    HB2  ASP  55           HB2      ASP  55   0.231 -31.810  19.336
  465    HB3  ASP  55           HB1      ASP  55   1.390 -33.067  18.907
  466    H    LEU  56           HN       LEU  56   3.950 -32.895  19.169
  467    HA   LEU  56           HA       LEU  56   4.555 -34.884  21.046
  468    HB2  LEU  56           HB2      LEU  56   6.153 -33.720  18.765
  469    HB3  LEU  56           HB1      LEU  56   6.702 -35.102  19.711
  470    HG   LEU  56           HG       LEU  56   3.984 -35.039  18.380
  471   HD11  LEU  56          HD11      LEU  56   6.659 -35.911  17.269
  472   HD12  LEU  56          HD12      LEU  56   5.494 -34.801  16.548
  473   HD13  LEU  56          HD13      LEU  56   5.132 -36.525  16.636
  474   HD21  LEU  56          HD21      LEU  56   4.000 -36.797  19.942
  475   HD22  LEU  56          HD22      LEU  56   5.708 -37.148  19.692
  476   HD23  LEU  56          HD23      LEU  56   4.525 -37.610  18.472
  477    H    TYR  57           HN       TYR  57   5.993 -31.723  20.465
  478    HA   TYR  57           HA       TYR  57   8.036 -32.077  22.464
  479    HB2  TYR  57           HB2      TYR  57   8.241 -30.598  20.432
  480    HB3  TYR  57           HB1      TYR  57   7.106 -29.493  21.209
  481    HD1  TYR  57           HD2      TYR  57  10.440 -31.093  21.512
  482    HD2  TYR  57           HD1      TYR  57   7.776 -28.089  23.038
  483    HE1  TYR  57           HE2      TYR  57  12.297 -30.121  22.839
  484    HE2  TYR  57           HE1      TYR  57   9.634 -27.117  24.365
  485    HH   TYR  57           HH       TYR  57  12.853 -28.634  24.405
  486    H    GLU  58           HN       GLU  58   5.211 -29.919  22.225
  487    HA   GLU  58           HA       GLU  58   5.329 -28.888  24.802
  488    HB2  GLU  58           HB2      GLU  58   2.976 -29.333  22.968
  489    HB3  GLU  58           HB1      GLU  58   2.837 -28.501  24.515
  490    HG2  GLU  58           HG2      GLU  58   4.774 -27.684  22.331
  491    HG3  GLU  58           HG1      GLU  58   3.185 -26.958  22.566
  492    H    GLU  59           HN       GLU  59   4.452 -32.017  23.768
  493    HA   GLU  59           HA       GLU  59   2.931 -32.649  26.173
  494    HB2  GLU  59           HB2      GLU  59   2.222 -33.682  24.110
  495    HB3  GLU  59           HB1      GLU  59   3.832 -34.353  23.844
  496    HG2  GLU  59           HG2      GLU  59   3.624 -35.806  25.737
  497    HG3  GLU  59           HG1      GLU  59   2.168 -34.981  26.286
  498    H    SER  60           HN       SER  60   6.184 -32.570  25.233
  499    HA   SER  60           HA       SER  60   7.026 -34.707  27.042
  500    HB2  SER  60           HB2      SER  60   8.524 -32.866  25.181
  501    HB3  SER  60           HB1      SER  60   9.314 -34.037  26.235
  502    HG   SER  60           HG       SER  60   7.411 -34.537  24.187
  503    H    GLN  61           HN       GLN  61   7.251 -31.205  26.800
  504    HA   GLN  61           HA       GLN  61   8.969 -30.806  28.988
  505    HB2  GLN  61           HB2      GLN  61   6.948 -28.678  28.387
  506    HB3  GLN  61           HB1      GLN  61   8.688 -28.552  28.606
  507    HG2  GLN  61           HG2      GLN  61   7.218 -29.554  26.161
  508    HG3  GLN  61           HG1      GLN  61   8.260 -28.139  26.287
  509   HE21  GLN  61          HE21      GLN  61   8.626 -30.506  24.483
  510   HE22  GLN  61          HE22      GLN  61  10.145 -31.150  24.884
  511    HA   PRO  62           HA       PRO  62   5.214 -30.413  31.749
  512    HB2  PRO  62           HB2      PRO  62   2.698 -30.605  30.637
  513    HB3  PRO  62           HB1      PRO  62   3.641 -29.108  30.639
  514    HG2  PRO  62           HG2      PRO  62   2.941 -30.820  28.395
  515    HG3  PRO  62           HG1      PRO  62   3.671 -29.210  28.376
  516    HD2  PRO  62           HD2      PRO  62   4.960 -31.827  28.115
  517    HD3  PRO  62           HD1      PRO  62   5.604 -30.223  27.749
  518    H    SER  63           HN       SER  63   5.869 -32.426  32.546
  519    HA   SER  63           HA       SER  63   4.515 -34.861  31.704
  520    HB2  SER  63           HB2      SER  63   5.994 -35.990  33.234
  521    HB3  SER  63           HB1      SER  63   6.945 -34.836  32.305
  522    HG   SER  63           HG       SER  63   6.096 -33.491  34.346
  523    H    SER  64           HN       SER  64   3.829 -32.303  33.716
  524    HA   SER  64           HA       SER  64   2.631 -33.780  35.896
  525    HB2  SER  64           HB2      SER  64   2.211 -31.713  36.870
  526    HB3  SER  64           HB1      SER  64   3.615 -31.345  35.872
  527    HG   SER  64           HG       SER  64   0.893 -30.769  35.440
  528    H    GLU  65           HN       GLU  65   1.719 -34.295  33.113
  529    HA   GLU  65           HA       GLU  65  -0.246 -34.722  32.006
  530    HB2  GLU  65           HB2      GLU  65  -1.320 -34.395  34.818
  531    HB3  GLU  65           HB1      GLU  65  -2.281 -34.965  33.458
  532    HG2  GLU  65           HG2      GLU  65  -0.767 -36.848  33.128
  533    HG3  GLU  65           HG1      GLU  65   0.290 -36.253  34.408
  534    H    ARG  66           HN       ARG  66   0.523 -31.795  33.210
  535    HA   ARG  66           HA       ARG  66  -1.896 -30.326  32.808
  536    HB2  ARG  66           HB2      ARG  66  -0.516 -28.351  33.062
  537    HB3  ARG  66           HB1      ARG  66  -0.046 -29.543  34.272
  538    HG2  ARG  66           HG2      ARG  66   1.823 -30.270  32.804
  539    HG3  ARG  66           HG1      ARG  66   1.366 -29.030  31.639
  540    HD2  ARG  66           HD2      ARG  66   1.771 -27.278  33.270
  541    HD3  ARG  66           HD1      ARG  66   2.160 -28.475  34.501
  542    HE   ARG  66           HE       ARG  66   3.883 -29.011  32.416
  543   HH11  ARG  66          HH21      ARG  66   3.070 -26.280  34.375
  544   HH12  ARG  66          HH22      ARG  66   4.662 -25.600  34.331
  545   HH21  ARG  66          HH11      ARG  66   5.974 -28.129  32.354
  546   HH22  ARG  66          HH12      ARG  66   6.307 -26.647  33.187
  547    H    LEU  67           HN       LEU  67   0.315 -31.764  30.698
  548    HA   LEU  67           HA       LEU  67   0.739 -30.093  28.594
  549    HB2  LEU  67           HB2      LEU  67   0.555 -32.032  27.104
  550    HB3  LEU  67           HB1      LEU  67   1.408 -32.452  28.587
  551    HG   LEU  67           HG       LEU  67  -1.264 -32.958  29.266
  552   HD11  LEU  67          HD11      LEU  67  -1.728 -32.643  26.771
  553   HD12  LEU  67          HD12      LEU  67  -2.291 -34.154  27.487
  554   HD13  LEU  67          HD13      LEU  67  -0.817 -34.130  26.518
  555   HD21  LEU  67          HD21      LEU  67  -0.596 -35.347  29.076
  556   HD22  LEU  67          HD22      LEU  67   0.649 -34.366  29.853
  557   HD23  LEU  67          HD23      LEU  67   0.834 -34.854  28.171
  558    H    ASN  68           HN       ASN  68  -2.314 -31.095  29.810
  559    HA   ASN  68           HA       ASN  68  -4.036 -30.973  27.676
  560    HB2  ASN  68           HB2      ASN  68  -4.802 -31.411  29.956
  561    HB3  ASN  68           HB1      ASN  68  -4.427 -29.752  30.421
  562   HD21  ASN  68          HD21      ASN  68  -6.833 -31.791  28.978
  563   HD22  ASN  68          HD22      ASN  68  -7.922 -30.560  28.555
  564    H    ALA  69           HN       ALA  69  -2.141 -28.419  29.051
  565    HA   ALA  69           HA       ALA  69  -3.600 -26.200  28.046
  566    HB1  ALA  69           HB1      ALA  69  -1.800 -26.120  29.817
  567    HB2  ALA  69           HB2      ALA  69  -1.665 -24.894  28.556
  568    HB3  ALA  69           HB3      ALA  69  -0.620 -26.315  28.521
  569    H    PHE  70           HN       PHE  70  -1.154 -28.312  26.689
  570    HA   PHE  70           HA       PHE  70  -0.218 -26.961  24.521
  571    HB2  PHE  70           HB2      PHE  70   0.351 -29.025  23.621
  572    HB3  PHE  70           HB1      PHE  70   0.023 -29.501  25.287
  573    HD1  PHE  70           HD2      PHE  70  -2.876 -29.499  25.484
  574    HD2  PHE  70           HD1      PHE  70  -0.403 -30.740  22.202
  575    HE1  PHE  70           HE2      PHE  70  -4.683 -30.977  24.696
  576    HE2  PHE  70           HE1      PHE  70  -2.225 -32.213  21.399
  577    HZ   PHE  70           HZ       PHE  70  -4.365 -32.336  22.650
  578    H    ARG  71           HN       ARG  71  -3.468 -27.799  25.156
  579    HA   ARG  71           HA       ARG  71  -4.532 -27.955  22.572
  580    HB2  ARG  71           HB2      ARG  71  -5.775 -28.576  24.622
  581    HB3  ARG  71           HB1      ARG  71  -5.868 -26.868  25.060
  582    HG2  ARG  71           HG2      ARG  71  -7.078 -26.396  22.952
  583    HG3  ARG  71           HG1      ARG  71  -6.994 -28.106  22.527
  584    HD2  ARG  71           HD2      ARG  71  -8.219 -28.622  24.659
  585    HD3  ARG  71           HD1      ARG  71  -8.421 -26.889  24.904
  586    HE   ARG  71           HE       ARG  71  -9.806 -28.540  22.944
  587   HH11  ARG  71          HH21      ARG  71  -8.882 -25.381  24.012
  588   HH12  ARG  71          HH22      ARG  71 -10.141 -24.569  23.144
  589   HH21  ARG  71          HH11      ARG  71 -11.459 -27.483  21.802
  590   HH22  ARG  71          HH12      ARG  71 -11.600 -25.759  21.892
  591    H    GLU  72           HN       GLU  72  -3.873 -25.218  24.700
  592    HA   GLU  72           HA       GLU  72  -5.122 -23.210  23.219
  593    HB2  GLU  72           HB2      GLU  72  -2.633 -23.110  24.937
  594    HB3  GLU  72           HB1      GLU  72  -3.447 -21.682  24.298
  595    HG2  GLU  72           HG2      GLU  72  -4.821 -23.778  25.992
  596    HG3  GLU  72           HG1      GLU  72  -4.133 -22.293  26.647
  597    H    LEU  73           HN       LEU  73  -1.716 -24.252  23.126
  598    HA   LEU  73           HA       LEU  73  -0.975 -22.592  20.976
  599    HB2  LEU  73           HB2      LEU  73   0.428 -24.124  22.680
  600    HB3  LEU  73           HB1      LEU  73   0.372 -25.253  21.329
  601    HG   LEU  73           HG       LEU  73   1.397 -22.402  21.233
  602   HD11  LEU  73          HD11      LEU  73   3.000 -23.811  22.302
  603   HD12  LEU  73          HD12      LEU  73   3.539 -23.596  20.638
  604   HD13  LEU  73          HD13      LEU  73   2.748 -25.096  21.121
  605   HD21  LEU  73          HD21      LEU  73   0.483 -22.737  19.103
  606   HD22  LEU  73          HD22      LEU  73   0.864 -24.456  19.092
  607   HD23  LEU  73          HD23      LEU  73   2.148 -23.266  18.878
  608    H    ARG  74           HN       ARG  74  -2.113 -25.938  21.085
  609    HA   ARG  74           HA       ARG  74  -1.858 -26.478  18.331
  610    HB2  ARG  74           HB2      ARG  74  -3.607 -27.664  20.484
  611    HB3  ARG  74           HB1      ARG  74  -3.581 -28.279  18.835
  612    HG2  ARG  74           HG2      ARG  74  -0.963 -27.921  20.290
  613    HG3  ARG  74           HG1      ARG  74  -1.966 -29.319  20.671
  614    HD2  ARG  74           HD2      ARG  74  -1.337 -28.652  17.801
  615    HD3  ARG  74           HD1      ARG  74  -0.178 -29.538  18.784
  616    HE   ARG  74           HE       ARG  74  -1.748 -31.332  18.980
  617   HH11  ARG  74          HH21      ARG  74  -2.833 -28.713  16.984
  618   HH12  ARG  74          HH22      ARG  74  -4.076 -29.635  16.212
  619   HH21  ARG  74          HH11      ARG  74  -3.384 -32.540  17.968
  620   HH22  ARG  74          HH12      ARG  74  -4.389 -31.795  16.771
  621    H    THR  75           HN       THR  75  -4.397 -25.045  20.273
  622    HA   THR  75           HA       THR  75  -6.450 -25.056  18.370
  623    HB   THR  75           HB       THR  75  -5.886 -23.091  20.545
  624    HG1  THR  75           HG1      THR  75  -7.842 -25.089  20.569
  625   HG21  THR  75          HG21      THR  75  -7.395 -22.051  19.015
  626   HG22  THR  75          HG22      THR  75  -8.377 -22.675  20.342
  627   HG23  THR  75          HG23      THR  75  -8.304 -23.548  18.811
  628    H    GLN  76           HN       GLN  76  -3.893 -22.700  19.032
  629    HA   GLN  76           HA       GLN  76  -4.692 -20.734  17.194
  630    HB2  GLN  76           HB2      GLN  76  -1.918 -21.500  18.141
  631    HB3  GLN  76           HB1      GLN  76  -2.307 -20.018  17.268
  632    HG2  GLN  76           HG2      GLN  76  -3.585 -20.824  19.892
  633    HG3  GLN  76           HG1      GLN  76  -2.222 -19.717  19.761
  634   HE21  GLN  76          HE21      GLN  76  -5.434 -19.595  20.262
  635   HE22  GLN  76          HE22      GLN  76  -5.825 -18.163  19.438
  636    H    LEU  77           HN       LEU  77  -2.282 -23.335  16.802
  637    HA   LEU  77           HA       LEU  77  -1.825 -22.867  14.043
  638    HB2  LEU  77           HB2      LEU  77  -1.331 -25.178  15.910
  639    HB3  LEU  77           HB1      LEU  77  -1.058 -25.376  14.179
  640    HG   LEU  77           HG       LEU  77   0.542 -23.570  14.155
  641   HD11  LEU  77          HD11      LEU  77  -0.426 -23.125  16.979
  642   HD12  LEU  77          HD12      LEU  77  -0.385 -21.970  15.652
  643   HD13  LEU  77          HD13      LEU  77   1.116 -22.486  16.422
  644   HD21  LEU  77          HD21      LEU  77   1.453 -25.706  14.859
  645   HD22  LEU  77          HD22      LEU  77   0.944 -25.416  16.523
  646   HD23  LEU  77          HD23      LEU  77   2.217 -24.430  15.806
  647    H    GLU  78           HN       GLU  78  -4.043 -24.990  15.786
  648    HA   GLU  78           HA       GLU  78  -5.071 -26.315  13.498
  649    HB2  GLU  78           HB2      GLU  78  -5.318 -27.161  15.821
  650    HB3  GLU  78           HB1      GLU  78  -6.420 -25.826  16.168
  651    HG2  GLU  78           HG2      GLU  78  -7.948 -26.611  14.403
  652    HG3  GLU  78           HG1      GLU  78  -6.842 -27.929  14.023
  653    H    LYS  79           HN       LYS  79  -5.954 -23.353  15.194
  654    HA   LYS  79           HA       LYS  79  -8.414 -22.876  13.912
  655    HB2  LYS  79           HB2      LYS  79  -7.649 -21.676  15.938
  656    HB3  LYS  79           HB1      LYS  79  -6.423 -20.856  14.971
  657    HG2  LYS  79           HG2      LYS  79  -8.149 -19.846  13.576
  658    HG3  LYS  79           HG1      LYS  79  -9.407 -20.733  14.440
  659    HD2  LYS  79           HD2      LYS  79  -7.526 -19.001  16.037
  660    HD3  LYS  79           HD1      LYS  79  -8.805 -18.219  15.109
  661    HE2  LYS  79           HE2      LYS  79  -9.245 -20.447  17.117
  662    HE3  LYS  79           HE1      LYS  79  -9.529 -18.735  17.429
  663    HZ1  LYS  79           HZ1      LYS  79 -10.858 -19.194  15.106
  664    HZ2  LYS  79           HZ2      LYS  79 -11.564 -19.118  16.650
  665    HZ3  LYS  79           HZ3      LYS  79 -11.134 -20.620  15.982
  666    H    ALA  80           HN       ALA  80  -5.104 -21.848  13.172
  667    HA   ALA  80           HA       ALA  80  -5.794 -20.396  10.837
  668    HB1  ALA  80           HB1      ALA  80  -3.192 -21.591  11.791
  669    HB2  ALA  80           HB2      ALA  80  -3.686 -19.898  11.832
  670    HB3  ALA  80           HB3      ALA  80  -3.321 -20.674  10.289
  671    H    LEU  81           HN       LEU  81  -5.106 -23.746  11.503
  672    HA   LEU  81           HA       LEU  81  -4.581 -24.603   8.884
  673    HB2  LEU  81           HB2      LEU  81  -4.496 -25.852  11.267
  674    HB3  LEU  81           HB1      LEU  81  -6.090 -26.408  10.761
  675    HG   LEU  81           HG       LEU  81  -4.432 -28.025  10.015
  676   HD11  LEU  81          HD11      LEU  81  -6.384 -27.223   8.469
  677   HD12  LEU  81          HD12      LEU  81  -5.099 -28.203   7.762
  678   HD13  LEU  81          HD13      LEU  81  -5.105 -26.457   7.528
  679   HD21  LEU  81          HD21      LEU  81  -2.380 -27.461   9.160
  680   HD22  LEU  81          HD22      LEU  81  -2.702 -25.860   9.813
  681   HD23  LEU  81          HD23      LEU  81  -3.042 -26.203   8.120
  682    H    GLY  82           HN       GLY  82  -7.603 -24.349  10.702
  683    HA2  GLY  82           HA2      GLY  82  -9.222 -25.324   8.535
  684    HA3  GLY  82           HA1      GLY  82  -9.804 -24.583  10.025
  685    H    LEU  83           HN       LEU  83  -7.487 -22.587   8.826
  686    HA   LEU  83           HA       LEU  83  -7.555 -20.496   7.872
  687    HB2  LEU  83           HB2      LEU  83  -9.594 -21.821   6.067
  688    HB3  LEU  83           HB1      LEU  83  -8.699 -20.342   5.714
  689    HG   LEU  83           HG       LEU  83  -7.374 -23.009   6.286
  690   HD11  LEU  83          HD11      LEU  83  -8.620 -23.264   4.234
  691   HD12  LEU  83          HD12      LEU  83  -6.931 -23.001   3.797
  692   HD13  LEU  83          HD13      LEU  83  -8.092 -21.682   3.658
  693   HD21  LEU  83          HD21      LEU  83  -6.409 -20.281   5.398
  694   HD22  LEU  83          HD22      LEU  83  -5.484 -21.732   5.012
  695   HD23  LEU  83          HD23      LEU  83  -5.784 -21.305   6.691
  696    H    GLU  84           HN       GLU  84  -9.942 -21.640   9.698
  697    HA   GLU  84           HA       GLU  84 -11.996 -19.671   9.175
  698    HB2  GLU  84           HB2      GLU  84 -12.424 -21.973  10.134
  699    HB3  GLU  84           HB1      GLU  84 -11.678 -21.407  11.629
  700    HG2  GLU  84           HG2      GLU  84 -14.024 -21.060  11.908
  701    HG3  GLU  84           HG1      GLU  84 -13.345 -19.470  11.565
  702    H    HIS  85           HN       HIS  85 -12.260 -17.734  10.147
  703    HA   HIS  85           HA       HIS  85 -10.947 -17.061  12.625
  704    HB2  HIS  85           HB2      HIS  85  -9.115 -16.822  10.920
  705    HB3  HIS  85           HB1      HIS  85 -10.083 -15.572  10.138
  706    HD2  HIS  85           HD2      HIS  85  -9.841 -13.058  11.307
  707    HE1  HIS  85           HE1      HIS  85  -7.839 -14.266  14.823
  708    HE2  HIS  85           HE2      HIS  85  -8.651 -12.262  13.491
  709    H    HIS  86           HN       HIS  86 -12.591 -15.888   9.708
  710    HA   HIS  86           HA       HIS  86 -13.903 -13.759  11.275
  711    HB2  HIS  86           HB2      HIS  86 -13.888 -14.303   8.296
  712    HB3  HIS  86           HB1      HIS  86 -14.657 -12.926   9.085
  713    HD2  HIS  86           HD2      HIS  86 -11.188 -13.920   7.754
  714    HE1  HIS  86           HE1      HIS  86 -10.610 -10.478  10.129
  715    HE2  HIS  86           HE2      HIS  86  -9.516 -12.041   8.453
  716    H    HIS  87           HN       HIS  87 -16.257 -13.491   9.875
  717    HA   HIS  87           HA       HIS  87 -17.975 -15.255  11.172
  718    HB2  HIS  87           HB2      HIS  87 -18.467 -13.724   8.607
  719    HB3  HIS  87           HB1      HIS  87 -19.716 -14.440   9.626
  720    HD2  HIS  87           HD2      HIS  87 -18.031 -11.090   9.282
  721    HE1  HIS  87           HE1      HIS  87 -19.253 -11.276  13.319
  722    HE2  HIS  87           HE2      HIS  87 -18.401  -9.739  11.486
  723    H    HIS  88           HN       HIS  88 -17.973 -15.197   7.629
  724    HA   HIS  88           HA       HIS  88 -17.308 -18.021   7.454
  725    HB2  HIS  88           HB2      HIS  88 -20.085 -17.030   6.783
  726    HB3  HIS  88           HB1      HIS  88 -19.451 -18.617   6.344
  727    HD2  HIS  88           HD2      HIS  88 -21.319 -17.059   9.250
  728    HE1  HIS  88           HE1      HIS  88 -19.384 -20.446  10.865
  729    HE2  HIS  88           HE2      HIS  88 -21.147 -18.671  11.298
  730    H    HIS  89           HN       HIS  89 -16.051 -18.196   5.762
  731    HA   HIS  89           HA       HIS  89 -15.763 -16.188   3.783
  732    HB2  HIS  89           HB2      HIS  89 -14.744 -19.024   3.969
  733    HB3  HIS  89           HB1      HIS  89 -14.290 -17.915   2.674
  734    HD2  HIS  89           HD2      HIS  89 -13.134 -18.775   6.202
  735    HE1  HIS  89           HE1      HIS  89 -11.579 -14.933   5.400
  736    HE2  HIS  89           HE2      HIS  89 -11.472 -16.918   6.979
  737    H    HIS  90           HN       HIS  90 -17.379 -19.382   3.706
  738    HA   HIS  90           HA       HIS  90 -17.951 -19.349   0.936
  739    HB2  HIS  90           HB2      HIS  90 -19.409 -20.710   3.213
  740    HB3  HIS  90           HB1      HIS  90 -19.741 -20.998   1.505
  741    HD2  HIS  90           HD2      HIS  90 -17.658 -22.393   0.103
  742    HE1  HIS  90           HE1      HIS  90 -15.449 -23.362   3.568
  743    HE2  HIS  90           HE2      HIS  90 -15.697 -23.813   1.081
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  -9.137 -17.494  19.623
    2    H2   MET   1           HT2      MET   1  -8.225 -16.134  20.075
    3    H3   MET   1           HT3      MET   1  -7.453 -17.500  19.424
    4    HA   MET   1           HA       MET   1  -8.439 -17.150  17.295
    5    HB2  MET   1           HB2      MET   1  -9.810 -14.977  17.050
    6    HB3  MET   1           HB1      MET   1 -10.607 -16.346  17.826
    7    HG2  MET   1           HG2      MET   1 -10.090 -15.431  20.039
    8    HG3  MET   1           HG1      MET   1  -9.215 -14.091  19.299
    9    HE1  MET   1           HE1      MET   1 -11.750 -13.722  21.408
   10    HE2  MET   1           HE2      MET   1 -12.217 -12.207  20.639
   11    HE3  MET   1           HE3      MET   1 -10.512 -12.628  20.776
   12    H    GLY   2           HN       GLY   2  -7.535 -15.650  15.767
   13    HA2  GLY   2           HA2      GLY   2  -6.105 -13.970  15.037
   14    HA3  GLY   2           HA1      GLY   2  -5.996 -13.385  16.694
   15    H    VAL   3           HN       VAL   3  -5.456 -16.643  16.787
   16    HA   VAL   3           HA       VAL   3  -3.548 -17.790  17.428
   17    HB   VAL   3           HB       VAL   3  -2.405 -16.609  14.899
   18   HG11  VAL   3          HG11      VAL   3  -0.939 -18.096  16.181
   19   HG12  VAL   3          HG12      VAL   3  -1.465 -18.904  14.704
   20   HG13  VAL   3          HG13      VAL   3  -2.207 -19.320  16.249
   21   HG21  VAL   3          HG21      VAL   3  -4.575 -18.692  15.264
   22   HG22  VAL   3          HG22      VAL   3  -3.625 -18.552  13.784
   23   HG23  VAL   3          HG23      VAL   3  -4.650 -17.214  14.304
   24    H    TRP   4           HN       TRP   4  -3.097 -16.406  19.255
   25    HA   TRP   4           HA       TRP   4  -0.653 -14.765  18.869
   26    HB2  TRP   4           HB2      TRP   4  -3.061 -14.256  20.620
   27    HB3  TRP   4           HB1      TRP   4  -1.512 -13.450  20.870
   28    HD1  TRP   4           HD1      TRP   4  -4.480 -13.585  18.506
   29    HE1  TRP   4           HE1      TRP   4  -4.307 -11.639  16.823
   30    HE3  TRP   4           HE3      TRP   4   0.198 -11.873  19.617
   31    HZ2  TRP   4           HZ2      TRP   4  -2.430  -9.621  16.051
   32    HZ3  TRP   4           HZ3      TRP   4   1.154  -9.940  18.397
   33    HH2  TRP   4           HH2      TRP   4  -0.152  -8.812  16.618
   34    H    THR   5           HN       THR   5   1.001 -15.752  19.737
   35    HA   THR   5           HA       THR   5   0.982 -16.574  22.482
   36    HB   THR   5           HB       THR   5   1.627 -18.770  20.516
   37    HG1  THR   5           HG1      THR   5  -0.791 -18.724  21.907
   38   HG21  THR   5          HG21      THR   5   0.824 -18.755  23.440
   39   HG22  THR   5          HG22      THR   5   2.469 -18.950  22.836
   40   HG23  THR   5          HG23      THR   5   1.254 -20.181  22.496
   41    HA   PRO   6           HA       PRO   6   5.037 -15.454  20.187
   42    HB2  PRO   6           HB2      PRO   6   5.281 -12.859  21.060
   43    HB3  PRO   6           HB1      PRO   6   4.443 -13.299  19.556
   44    HG2  PRO   6           HG2      PRO   6   3.283 -12.753  22.257
   45    HG3  PRO   6           HG1      PRO   6   2.765 -12.144  20.678
   46    HD2  PRO   6           HD2      PRO   6   1.494 -14.204  21.850
   47    HD3  PRO   6           HD1      PRO   6   1.753 -14.162  20.088
   48    H    GLU   7           HN       GLU   7   7.014 -14.399  21.412
   49    HA   GLU   7           HA       GLU   7   7.557 -15.919  23.699
   50    HB2  GLU   7           HB2      GLU   7   9.539 -14.475  23.962
   51    HB3  GLU   7           HB1      GLU   7   9.323 -14.985  22.288
   52    HG2  GLU   7           HG2      GLU   7   8.201 -12.830  21.793
   53    HG3  GLU   7           HG1      GLU   7   8.483 -12.317  23.456
   54    H    VAL   8           HN       VAL   8   5.738 -13.046  23.362
   55    HA   VAL   8           HA       VAL   8   6.100 -11.564  25.618
   56    HB   VAL   8           HB       VAL   8   3.417 -12.459  24.543
   57   HG11  VAL   8          HG11      VAL   8   2.708 -10.218  25.464
   58   HG12  VAL   8          HG12      VAL   8   4.272 -10.130  26.275
   59   HG13  VAL   8          HG13      VAL   8   3.134 -11.413  26.689
   60   HG21  VAL   8          HG21      VAL   8   4.963  -9.945  23.874
   61   HG22  VAL   8          HG22      VAL   8   3.531 -10.579  23.065
   62   HG23  VAL   8          HG23      VAL   8   5.078 -11.410  22.901
   63    H    LEU   9           HN       LEU   9   4.661 -14.765  25.403
   64    HA   LEU   9           HA       LEU   9   3.578 -14.902  28.012
   65    HB2  LEU   9           HB2      LEU   9   4.487 -16.937  25.991
   66    HB3  LEU   9           HB1      LEU   9   4.059 -17.463  27.617
   67    HG   LEU   9           HG       LEU   9   1.844 -16.414  27.386
   68   HD11  LEU   9          HD11      LEU   9   2.942 -15.619  24.685
   69   HD12  LEU   9          HD12      LEU   9   2.273 -14.570  25.933
   70   HD13  LEU   9          HD13      LEU   9   1.214 -15.649  25.027
   71   HD21  LEU   9          HD21      LEU   9   2.115 -18.752  26.673
   72   HD22  LEU   9          HD22      LEU   9   2.595 -18.217  25.062
   73   HD23  LEU   9          HD23      LEU   9   0.950 -17.933  25.632
   74    H    LYS  10           HN       LYS  10   6.783 -15.675  26.708
   75    HA   LYS  10           HA       LYS  10   7.878 -16.674  29.124
   76    HB2  LYS  10           HB2      LYS  10   8.875 -17.019  26.857
   77    HB3  LYS  10           HB1      LYS  10   9.351 -15.322  26.860
   78    HG2  LYS  10           HG2      LYS  10  10.840 -15.632  28.706
   79    HG3  LYS  10           HG1      LYS  10  10.160 -17.217  29.079
   80    HD2  LYS  10           HD2      LYS  10  12.330 -17.427  27.913
   81    HD3  LYS  10           HD1      LYS  10  11.017 -18.105  26.951
   82    HE2  LYS  10           HE2      LYS  10  12.695 -16.591  25.722
   83    HE3  LYS  10           HE1      LYS  10  10.983 -16.244  25.480
   84    HZ1  LYS  10           HZ1      LYS  10  12.803 -14.869  27.384
   85    HZ2  LYS  10           HZ2      LYS  10  11.139 -14.562  27.233
   86    HZ3  LYS  10           HZ3      LYS  10  12.190 -14.223  25.942
   87    H    ALA  11           HN       ALA  11   7.448 -13.461  27.805
   88    HA   ALA  11           HA       ALA  11   9.214 -11.985  29.364
   89    HB1  ALA  11           HB1      ALA  11   6.416 -11.031  28.774
   90    HB2  ALA  11           HB2      ALA  11   7.617 -11.201  27.493
   91    HB3  ALA  11           HB3      ALA  11   7.910 -10.096  28.836
   92    H    ARG  12           HN       ARG  12   5.822 -12.826  30.092
   93    HA   ARG  12           HA       ARG  12   5.852 -11.744  32.729
   94    HB2  ARG  12           HB2      ARG  12   4.034 -13.558  31.175
   95    HB3  ARG  12           HB1      ARG  12   3.820 -13.453  32.921
   96    HG2  ARG  12           HG2      ARG  12   2.382 -11.812  31.821
   97    HG3  ARG  12           HG1      ARG  12   3.645 -10.975  32.721
   98    HD2  ARG  12           HD2      ARG  12   4.942 -10.670  30.672
   99    HD3  ARG  12           HD1      ARG  12   3.747 -11.580  29.752
  100    HE   ARG  12           HE       ARG  12   3.511  -8.836  30.676
  101   HH11  ARG  12          HH21      ARG  12   1.922 -11.705  29.579
  102   HH12  ARG  12          HH22      ARG  12   0.509 -10.875  29.018
  103   HH21  ARG  12          HH11      ARG  12   1.663  -7.738  29.949
  104   HH22  ARG  12          HH12      ARG  12   0.362  -8.626  29.228
  105    H    ALA  13           HN       ALA  13   6.404 -14.962  31.395
  106    HA   ALA  13           HA       ALA  13   6.809 -16.196  33.965
  107    HB1  ALA  13           HB1      ALA  13   7.200 -18.190  32.786
  108    HB2  ALA  13           HB2      ALA  13   7.744 -17.340  31.342
  109    HB3  ALA  13           HB3      ALA  13   6.036 -17.331  31.776
  110    H    SER  14           HN       SER  14   8.572 -14.003  32.297
  111    HA   SER  14           HA       SER  14  11.210 -15.049  32.395
  112    HB2  SER  14           HB2      SER  14  11.929 -12.843  31.916
  113    HB3  SER  14           HB1      SER  14  10.363 -12.990  31.124
  114    HG   SER  14           HG       SER  14  11.026 -11.157  32.787
  115    H    VAL  15           HN       VAL  15   9.216 -14.790  34.880
  116    HA   VAL  15           HA       VAL  15  10.465 -13.282  36.867
  117    HB   VAL  15           HB       VAL  15   8.247 -14.358  37.114
  118   HG11  VAL  15          HG11      VAL  15   9.054 -16.530  36.028
  119   HG12  VAL  15          HG12      VAL  15   8.029 -16.713  37.451
  120   HG13  VAL  15          HG13      VAL  15   9.775 -16.927  37.588
  121   HG21  VAL  15          HG21      VAL  15  10.131 -15.412  39.235
  122   HG22  VAL  15          HG22      VAL  15   8.474 -14.846  39.437
  123   HG23  VAL  15          HG23      VAL  15   9.760 -13.694  39.082
  124    H    ILE  16           HN       ILE  16  11.288 -16.374  35.472
  125    HA   ILE  16           HA       ILE  16  13.772 -16.411  37.064
  126    HB   ILE  16           HB       ILE  16  12.124 -17.985  38.082
  127   HG12  ILE  16          HG12      ILE  16  13.633 -19.978  38.036
  128   HG13  ILE  16          HG11      ILE  16  14.520 -19.243  36.702
  129   HG21  ILE  16          HG21      ILE  16  12.396 -19.702  35.622
  130   HG22  ILE  16          HG22      ILE  16  11.123 -18.484  35.713
  131   HG23  ILE  16          HG23      ILE  16  11.192 -19.780  36.906
  132   HD11  ILE  16          HD11      ILE  16  15.497 -17.642  38.053
  133   HD12  ILE  16          HD12      ILE  16  15.306 -18.934  39.236
  134   HD13  ILE  16          HD13      ILE  16  14.146 -17.608  39.189
  135    H    GLY  17           HN       GLY  17  15.414 -16.351  35.701
  136    HA2  GLY  17           HA2      GLY  17  15.146 -16.792  32.898
  137    HA3  GLY  17           HA1      GLY  17  16.664 -16.562  33.774
  138    H    LYS  18           HN       LYS  18  16.064 -18.457  31.624
  139    HA   LYS  18           HA       LYS  18  17.062 -20.864  32.939
  140    HB2  LYS  18           HB2      LYS  18  15.164 -22.047  31.343
  141    HB3  LYS  18           HB1      LYS  18  14.937 -21.728  33.062
  142    HG2  LYS  18           HG2      LYS  18  13.786 -19.662  32.602
  143    HG3  LYS  18           HG1      LYS  18  14.196 -19.752  30.888
  144    HD2  LYS  18           HD2      LYS  18  12.879 -21.863  30.719
  145    HD3  LYS  18           HD1      LYS  18  12.405 -21.670  32.409
  146    HE2  LYS  18           HE2      LYS  18  11.829 -19.710  30.168
  147    HE3  LYS  18           HE1      LYS  18  10.654 -20.780  30.934
  148    HZ1  LYS  18           HZ1      LYS  18  11.822 -19.497  33.024
  149    HZ2  LYS  18           HZ2      LYS  18  10.316 -19.109  32.343
  150    HZ3  LYS  18           HZ3      LYS  18  11.713 -18.279  31.849
  151    HA   PRO  19           HA       PRO  19  19.430 -21.292  29.261
  152    HB2  PRO  19           HB2      PRO  19  19.247 -24.026  28.759
  153    HB3  PRO  19           HB1      PRO  19  20.323 -23.293  29.966
  154    HG2  PRO  19           HG2      PRO  19  17.628 -24.522  30.343
  155    HG3  PRO  19           HG1      PRO  19  19.086 -24.684  31.336
  156    HD2  PRO  19           HD2      PRO  19  17.090 -23.060  32.094
  157    HD3  PRO  19           HD1      PRO  19  18.787 -22.591  32.347
  158    H    ILE  20           HN       ILE  20  19.120 -21.053  27.100
  159    HA   ILE  20           HA       ILE  20  16.418 -21.358  26.058
  160    HB   ILE  20           HB       ILE  20  17.203 -20.088  24.156
  161   HG12  ILE  20          HG12      ILE  20  19.817 -19.304  24.666
  162   HG13  ILE  20          HG11      ILE  20  19.847 -20.991  25.181
  163   HG21  ILE  20          HG21      ILE  20  18.408 -18.898  26.665
  164   HG22  ILE  20          HG22      ILE  20  16.672 -18.972  26.367
  165   HG23  ILE  20          HG23      ILE  20  17.711 -18.035  25.294
  166   HD11  ILE  20          HD11      ILE  20  19.215 -19.867  22.451
  167   HD12  ILE  20          HD12      ILE  20  18.682 -21.484  22.902
  168   HD13  ILE  20          HD13      ILE  20  20.402 -21.098  22.888
  169    H    GLY  21           HN       GLY  21  15.757 -22.848  24.637
  170    HA2  GLY  21           HA2      GLY  21  17.566 -25.047  23.994
  171    HA3  GLY  21           HA1      GLY  21  15.829 -25.001  23.729
  172    H    GLU  22           HN       GLU  22  17.903 -25.815  21.834
  173    HA   GLU  22           HA       GLU  22  18.223 -23.701  19.906
  174    HB2  GLU  22           HB2      GLU  22  19.852 -25.546  20.125
  175    HB3  GLU  22           HB1      GLU  22  18.620 -26.686  19.594
  176    HG2  GLU  22           HG2      GLU  22  18.431 -25.516  17.443
  177    HG3  GLU  22           HG1      GLU  22  19.613 -24.322  17.975
  178    H    SER  23           HN       SER  23  16.943 -26.870  19.036
  179    HA   SER  23           HA       SER  23  15.112 -25.766  17.154
  180    HB2  SER  23           HB2      SER  23  14.332 -28.105  16.910
  181    HB3  SER  23           HB1      SER  23  16.086 -27.974  16.816
  182    HG   SER  23           HG       SER  23  14.454 -28.950  18.894
  183    H    TYR  24           HN       TYR  24  14.892 -26.650  20.511
  184    HA   TYR  24           HA       TYR  24  12.071 -26.922  20.676
  185    HB2  TYR  24           HB2      TYR  24  14.108 -26.148  22.768
  186    HB3  TYR  24           HB1      TYR  24  12.425 -26.524  23.113
  187    HD1  TYR  24           HD2      TYR  24  15.629 -27.888  21.859
  188    HD2  TYR  24           HD1      TYR  24  11.604 -28.791  23.052
  189    HE1  TYR  24           HE2      TYR  24  16.175 -30.308  21.873
  190    HE2  TYR  24           HE1      TYR  24  12.149 -31.209  23.068
  191    HH   TYR  24           HH       TYR  24  14.800 -32.491  23.364
  192    H    LYS  25           HN       LYS  25  14.253 -24.174  20.788
  193    HA   LYS  25           HA       LYS  25  12.146 -22.305  21.529
  194    HB2  LYS  25           HB2      LYS  25  14.520 -22.036  22.285
  195    HB3  LYS  25           HB1      LYS  25  14.972 -21.734  20.606
  196    HG2  LYS  25           HG2      LYS  25  13.557 -19.775  20.509
  197    HG3  LYS  25           HG1      LYS  25  12.887 -20.121  22.103
  198    HD2  LYS  25           HD2      LYS  25  15.140 -19.833  23.092
  199    HD3  LYS  25           HD1      LYS  25  15.782 -19.445  21.495
  200    HE2  LYS  25           HE2      LYS  25  13.536 -17.906  22.826
  201    HE3  LYS  25           HE1      LYS  25  15.230 -17.422  22.897
  202    HZ1  LYS  25           HZ1      LYS  25  15.294 -17.177  20.553
  203    HZ2  LYS  25           HZ2      LYS  25  13.912 -16.352  21.096
  204    HZ3  LYS  25           HZ3      LYS  25  13.761 -17.877  20.361
  205    H    ARG  26           HN       ARG  26  13.293 -23.752  18.683
  206    HA   ARG  26           HA       ARG  26  12.973 -21.648  16.823
  207    HB2  ARG  26           HB2      ARG  26  14.144 -23.773  16.320
  208    HB3  ARG  26           HB1      ARG  26  12.600 -24.619  16.394
  209    HG2  ARG  26           HG2      ARG  26  11.734 -23.238  14.550
  210    HG3  ARG  26           HG1      ARG  26  13.263 -22.360  14.483
  211    HD2  ARG  26           HD2      ARG  26  13.015 -25.353  14.098
  212    HD3  ARG  26           HD1      ARG  26  13.067 -24.193  12.774
  213    HE   ARG  26           HE       ARG  26  15.287 -23.713  14.423
  214   HH11  ARG  26          HH21      ARG  26  13.971 -26.163  12.364
  215   HH12  ARG  26          HH22      ARG  26  15.514 -26.798  11.901
  216   HH21  ARG  26          HH11      ARG  26  17.316 -24.540  13.820
  217   HH22  ARG  26          HH12      ARG  26  17.409 -25.878  12.726
  218    H    ILE  27           HN       ILE  27  10.773 -24.119  18.080
  219    HA   ILE  27           HA       ILE  27   8.576 -23.436  16.449
  220    HB   ILE  27           HB       ILE  27   8.492 -25.542  17.498
  221   HG12  ILE  27          HG12      ILE  27   6.355 -23.869  17.629
  222   HG13  ILE  27          HG11      ILE  27   6.296 -25.531  18.184
  223   HG21  ILE  27          HG21      ILE  27   9.052 -24.049  20.053
  224   HG22  ILE  27          HG22      ILE  27  10.013 -25.309  19.279
  225   HG23  ILE  27          HG23      ILE  27   8.474 -25.717  20.036
  226   HD11  ILE  27          HD11      ILE  27   7.037 -23.294  20.075
  227   HD12  ILE  27          HD12      ILE  27   6.459 -24.911  20.458
  228   HD13  ILE  27          HD13      ILE  27   5.361 -23.722  19.756
  229    H    LEU  28           HN       LEU  28   9.659 -22.321  19.601
  230    HA   LEU  28           HA       LEU  28   7.405 -20.829  20.294
  231    HB2  LEU  28           HB2      LEU  28   9.216 -21.339  21.881
  232    HB3  LEU  28           HB1      LEU  28  10.316 -20.308  20.972
  233    HG   LEU  28           HG       LEU  28   8.892 -18.349  21.450
  234   HD11  LEU  28          HD11      LEU  28   7.157 -20.460  22.720
  235   HD12  LEU  28          HD12      LEU  28   6.693 -19.114  21.679
  236   HD13  LEU  28          HD13      LEU  28   7.136 -18.815  23.358
  237   HD21  LEU  28          HD21      LEU  28  10.734 -19.107  23.004
  238   HD22  LEU  28          HD22      LEU  28   9.496 -19.886  23.991
  239   HD23  LEU  28          HD23      LEU  28   9.482 -18.136  23.778
  240    H    ALA  29           HN       ALA  29  10.302 -19.919  18.454
  241    HA   ALA  29           HA       ALA  29   9.369 -17.203  18.047
  242    HB1  ALA  29           HB1      ALA  29  11.685 -18.690  16.788
  243    HB2  ALA  29           HB2      ALA  29  11.774 -17.712  18.253
  244    HB3  ALA  29           HB3      ALA  29  11.400 -16.951  16.707
  245    H    LYS  30           HN       LYS  30   8.983 -20.245  16.531
  246    HA   LYS  30           HA       LYS  30   8.677 -19.538  13.837
  247    HB2  LYS  30           HB2      LYS  30   8.768 -21.872  14.708
  248    HB3  LYS  30           HB1      LYS  30   7.138 -21.659  15.346
  249    HG2  LYS  30           HG2      LYS  30   6.257 -21.259  13.124
  250    HG3  LYS  30           HG1      LYS  30   7.875 -21.295  12.428
  251    HD2  LYS  30           HD2      LYS  30   6.878 -23.670  13.997
  252    HD3  LYS  30           HD1      LYS  30   6.355 -23.449  12.334
  253    HE2  LYS  30           HE2      LYS  30   8.763 -23.295  11.648
  254    HE3  LYS  30           HE1      LYS  30   9.216 -23.683  13.307
  255    HZ1  LYS  30           HZ1      LYS  30   7.762 -25.371  11.360
  256    HZ2  LYS  30           HZ2      LYS  30   7.744 -25.704  13.027
  257    HZ3  LYS  30           HZ3      LYS  30   9.213 -25.711  12.171
  258    H    LEU  31           HN       LEU  31   6.728 -18.840  16.567
  259    HA   LEU  31           HA       LEU  31   4.184 -18.603  15.391
  260    HB2  LEU  31           HB2      LEU  31   5.529 -17.332  17.764
  261    HB3  LEU  31           HB1      LEU  31   3.928 -16.786  17.275
  262    HG   LEU  31           HG       LEU  31   3.903 -18.602  19.015
  263   HD11  LEU  31          HD11      LEU  31   1.962 -19.495  18.184
  264   HD12  LEU  31          HD12      LEU  31   2.667 -19.890  16.618
  265   HD13  LEU  31          HD13      LEU  31   2.159 -18.238  16.968
  266   HD21  LEU  31          HD21      LEU  31   4.820 -20.421  16.779
  267   HD22  LEU  31          HD22      LEU  31   4.633 -20.811  18.489
  268   HD23  LEU  31          HD23      LEU  31   5.937 -19.748  17.967
  269    H    GLN  32           HN       GLN  32   6.937 -16.395  15.519
  270    HA   GLN  32           HA       GLN  32   5.782 -14.035  14.653
  271    HB2  GLN  32           HB2      GLN  32   8.167 -14.296  15.279
  272    HB3  GLN  32           HB1      GLN  32   8.450 -15.167  13.773
  273    HG2  GLN  32           HG2      GLN  32   7.723 -13.186  12.488
  274    HG3  GLN  32           HG1      GLN  32   7.439 -12.318  13.996
  275   HE21  GLN  32          HE21      GLN  32   9.150 -10.976  14.532
  276   HE22  GLN  32          HE22      GLN  32  10.778 -11.271  14.156
  277    H    ARG  33           HN       ARG  33   6.885 -16.800  12.702
  278    HA   ARG  33           HA       ARG  33   6.282 -15.667  10.179
  279    HB2  ARG  33           HB2      ARG  33   6.654 -18.482  11.178
  280    HB3  ARG  33           HB1      ARG  33   6.157 -18.189   9.513
  281    HG2  ARG  33           HG2      ARG  33   8.537 -16.709  10.631
  282    HG3  ARG  33           HG1      ARG  33   8.725 -18.380  10.101
  283    HD2  ARG  33           HD2      ARG  33   7.760 -17.751   7.885
  284    HD3  ARG  33           HD1      ARG  33   7.697 -16.073   8.415
  285    HE   ARG  33           HE       ARG  33  10.327 -17.091   8.751
  286   HH11  ARG  33          HH21      ARG  33   8.028 -16.112   6.364
  287   HH12  ARG  33          HH22      ARG  33   9.223 -15.619   5.211
  288   HH21  ARG  33          HH11      ARG  33  11.908 -16.447   7.247
  289   HH22  ARG  33          HH12      ARG  33  11.423 -15.809   5.711
  290    H    ILE  34           HN       ILE  34   4.407 -17.647  12.424
  291    HA   ILE  34           HA       ILE  34   2.152 -18.002  10.746
  292    HB   ILE  34           HB       ILE  34   2.199 -17.908  13.770
  293   HG12  ILE  34          HG12      ILE  34   3.929 -19.442  13.053
  294   HG13  ILE  34          HG11      ILE  34   2.545 -20.396  13.571
  295   HG21  ILE  34          HG21      ILE  34   0.347 -19.618  13.416
  296   HG22  ILE  34          HG22      ILE  34   0.363 -19.152  11.716
  297   HG23  ILE  34          HG23      ILE  34  -0.047 -17.963  12.952
  298   HD11  ILE  34          HD11      ILE  34   3.167 -21.406  11.537
  299   HD12  ILE  34          HD12      ILE  34   3.525 -19.865  10.771
  300   HD13  ILE  34          HD13      ILE  34   1.850 -20.340  11.059
  301    H    HIS  35           HN       HIS  35   2.961 -15.563  13.197
  302    HA   HIS  35           HA       HIS  35   0.539 -14.182  13.240
  303    HB2  HIS  35           HB2      HIS  35   2.381 -13.730  14.803
  304    HB3  HIS  35           HB1      HIS  35   3.343 -13.062  13.483
  305    HD2  HIS  35           HD2      HIS  35  -0.093 -12.165  15.285
  306    HE1  HIS  35           HE1      HIS  35   1.537  -8.667  13.574
  307    HE2  HIS  35           HE2      HIS  35  -0.358  -9.584  14.994
  308    H    ASN  36           HN       ASN  36   3.422 -13.460  11.243
  309    HA   ASN  36           HA       ASN  36   2.032 -11.509   9.660
  310    HB2  ASN  36           HB2      ASN  36   4.717 -12.867   9.442
  311    HB3  ASN  36           HB1      ASN  36   4.135 -11.756   8.201
  312   HD21  ASN  36          HD21      ASN  36   6.442 -11.189   9.858
  313   HD22  ASN  36          HD22      ASN  36   6.061  -9.845  10.821
  314    H    SER  37           HN       SER  37   3.080 -14.856   9.131
  315    HA   SER  37           HA       SER  37   1.825 -14.959   6.508
  316    HB2  SER  37           HB2      SER  37   2.945 -16.968   6.204
  317    HB3  SER  37           HB1      SER  37   4.031 -16.140   7.318
  318    HG   SER  37           HG       SER  37   2.378 -18.327   7.705
  319    H    ASN  38           HN       ASN  38   0.364 -14.701   9.211
  320    HA   ASN  38           HA       ASN  38  -1.059 -16.929   9.934
  321    HB2  ASN  38           HB2      ASN  38  -1.297 -14.570  10.853
  322    HB3  ASN  38           HB1      ASN  38  -2.354 -14.235   9.483
  323   HD21  ASN  38          HD21      ASN  38  -4.274 -13.998  10.811
  324   HD22  ASN  38          HD22      ASN  38  -4.984 -15.326  11.594
  325    H    ILE  39           HN       ILE  39  -2.579 -18.207   9.062
  326    HA   ILE  39           HA       ILE  39  -3.625 -19.250   7.271
  327    HB   ILE  39           HB       ILE  39  -5.655 -18.013   6.596
  328   HG12  ILE  39          HG12      ILE  39  -4.613 -15.856   8.407
  329   HG13  ILE  39          HG11      ILE  39  -4.500 -15.780   6.653
  330   HG21  ILE  39          HG21      ILE  39  -5.462 -19.328   8.738
  331   HG22  ILE  39          HG22      ILE  39  -6.656 -18.031   8.790
  332   HG23  ILE  39          HG23      ILE  39  -5.084 -17.814   9.559
  333   HD11  ILE  39          HD11      ILE  39  -7.059 -16.116   8.221
  334   HD12  ILE  39          HD12      ILE  39  -6.924 -15.972   6.468
  335   HD13  ILE  39          HD13      ILE  39  -6.507 -14.603   7.501
  336    H    LEU  40           HN       LEU  40  -1.249 -18.316   6.304
  337    HA   LEU  40           HA       LEU  40  -1.844 -16.874   3.818
  338    HB2  LEU  40           HB2      LEU  40   0.102 -16.192   5.233
  339    HB3  LEU  40           HB1      LEU  40   0.833 -17.764   4.911
  340    HG   LEU  40           HG       LEU  40   0.744 -17.266   2.470
  341   HD11  LEU  40          HD11      LEU  40   0.468 -14.640   2.077
  342   HD12  LEU  40          HD12      LEU  40  -0.569 -14.771   3.497
  343   HD13  LEU  40          HD13      LEU  40  -0.924 -15.715   2.050
  344   HD21  LEU  40          HD21      LEU  40   2.598 -15.663   2.489
  345   HD22  LEU  40          HD22      LEU  40   2.763 -16.783   3.841
  346   HD23  LEU  40          HD23      LEU  40   2.159 -15.150   4.118
  347    H    ASP  41           HN       ASP  41  -1.847 -17.808   1.868
  348    HA   ASP  41           HA       ASP  41  -2.221 -20.506   1.492
  349    HB2  ASP  41           HB2      ASP  41  -1.187 -18.405  -0.405
  350    HB3  ASP  41           HB1      ASP  41  -1.583 -20.045  -0.915
  351    H    GLU  42           HN       GLU  42   0.804 -18.711   1.472
  352    HA   GLU  42           HA       GLU  42   2.442 -20.813   0.498
  353    HB2  GLU  42           HB2      GLU  42   3.064 -18.402   0.517
  354    HB3  GLU  42           HB1      GLU  42   3.220 -18.493   2.271
  355    HG2  GLU  42           HG2      GLU  42   4.949 -20.230   2.044
  356    HG3  GLU  42           HG1      GLU  42   4.782 -20.177   0.291
  357    H    ARG  43           HN       ARG  43   2.080 -19.535   3.820
  358    HA   ARG  43           HA       ARG  43   3.492 -21.773   4.959
  359    HB2  ARG  43           HB2      ARG  43   2.186 -19.292   6.044
  360    HB3  ARG  43           HB1      ARG  43   2.543 -20.609   7.157
  361    HG2  ARG  43           HG2      ARG  43   4.677 -19.635   5.258
  362    HG3  ARG  43           HG1      ARG  43   4.356 -18.752   6.744
  363    HD2  ARG  43           HD2      ARG  43   4.706 -20.843   8.041
  364    HD3  ARG  43           HD1      ARG  43   5.117 -21.682   6.551
  365    HE   ARG  43           HE       ARG  43   6.751 -19.702   7.945
  366   HH11  ARG  43          HH21      ARG  43   6.155 -21.570   5.088
  367   HH12  ARG  43          HH22      ARG  43   7.783 -21.456   4.511
  368   HH21  ARG  43          HH11      ARG  43   8.880 -19.543   7.188
  369   HH22  ARG  43          HH12      ARG  43   9.327 -20.308   5.699
  370    H    GLN  44           HN       GLN  44   0.267 -21.180   4.075
  371    HA   GLN  44           HA       GLN  44  -1.331 -22.444   5.883
  372    HB2  GLN  44           HB2      GLN  44  -1.358 -22.039   2.979
  373    HB3  GLN  44           HB1      GLN  44  -2.229 -23.497   3.436
  374    HG2  GLN  44           HG2      GLN  44  -2.701 -20.784   4.706
  375    HG3  GLN  44           HG1      GLN  44  -3.662 -21.431   3.377
  376   HE21  GLN  44          HE21      GLN  44  -3.813 -21.082   6.639
  377   HE22  GLN  44          HE22      GLN  44  -4.701 -22.470   7.045
  378    H    GLY  45           HN       GLY  45   0.944 -23.971   3.653
  379    HA2  GLY  45           HA2      GLY  45   0.143 -26.653   4.190
  380    HA3  GLY  45           HA1      GLY  45   1.668 -26.151   3.463
  381    H    LEU  46           HN       LEU  46   2.619 -24.494   5.523
  382    HA   LEU  46           HA       LEU  46   3.860 -26.387   7.189
  383    HB2  LEU  46           HB2      LEU  46   4.603 -23.970   6.525
  384    HB3  LEU  46           HB1      LEU  46   3.665 -23.471   7.930
  385    HG   LEU  46           HG       LEU  46   5.871 -25.564   8.012
  386   HD11  LEU  46          HD11      LEU  46   6.709 -23.290   7.425
  387   HD12  LEU  46          HD12      LEU  46   7.270 -23.830   9.008
  388   HD13  LEU  46          HD13      LEU  46   5.954 -22.663   8.889
  389   HD21  LEU  46          HD21      LEU  46   5.665 -24.718  10.548
  390   HD22  LEU  46          HD22      LEU  46   4.643 -26.001   9.929
  391   HD23  LEU  46          HD23      LEU  46   4.019 -24.355  10.047
  392    H    MET  47           HN       MET  47   1.176 -24.145   7.759
  393    HA   MET  47           HA       MET  47   0.809 -24.543  10.486
  394    HB2  MET  47           HB2      MET  47  -0.404 -22.895   8.996
  395    HB3  MET  47           HB1      MET  47  -1.429 -24.233   8.479
  396    HG2  MET  47           HG2      MET  47  -2.675 -23.341  10.247
  397    HG3  MET  47           HG1      MET  47  -1.768 -24.611  11.065
  398    HE1  MET  47           HE1      MET  47  -1.997 -20.846  10.186
  399    HE2  MET  47           HE2      MET  47  -1.727 -20.184  11.796
  400    HE3  MET  47           HE3      MET  47  -3.044 -21.322  11.530
  401    H    HIS  48           HN       HIS  48  -0.360 -26.467   7.746
  402    HA   HIS  48           HA       HIS  48  -2.043 -28.212   9.155
  403    HB2  HIS  48           HB2      HIS  48  -0.357 -28.803   6.710
  404    HB3  HIS  48           HB1      HIS  48  -1.760 -29.726   7.249
  405    HD2  HIS  48           HD2      HIS  48  -2.649 -26.116   7.808
  406    HE1  HIS  48           HE1      HIS  48  -3.909 -26.923   3.862
  407    HE2  HIS  48           HE2      HIS  48  -4.052 -25.265   5.779
  408    H    GLU  49           HN       GLU  49   1.415 -28.466   8.391
  409    HA   GLU  49           HA       GLU  49   1.703 -30.942   9.865
  410    HB2  GLU  49           HB2      GLU  49   3.710 -29.121   8.523
  411    HB3  GLU  49           HB1      GLU  49   4.139 -30.624   9.342
  412    HG2  GLU  49           HG2      GLU  49   2.124 -30.440   7.091
  413    HG3  GLU  49           HG1      GLU  49   3.816 -30.881   6.861
  414    H    LEU  50           HN       LEU  50   1.864 -27.582  10.522
  415    HA   LEU  50           HA       LEU  50   3.719 -27.505  12.619
  416    HB2  LEU  50           HB2      LEU  50   2.690 -25.509  11.527
  417    HB3  LEU  50           HB1      LEU  50   1.188 -25.874  12.360
  418    HG   LEU  50           HG       LEU  50   2.425 -25.714  14.541
  419   HD11  LEU  50          HD11      LEU  50   4.688 -26.059  14.130
  420   HD12  LEU  50          HD12      LEU  50   4.643 -24.304  14.236
  421   HD13  LEU  50          HD13      LEU  50   4.681 -25.087  12.658
  422   HD21  LEU  50          HD21      LEU  50   1.165 -23.792  13.381
  423   HD22  LEU  50          HD22      LEU  50   2.756 -23.190  12.929
  424   HD23  LEU  50          HD23      LEU  50   2.325 -23.340  14.629
  425    H    MET  51           HN       MET  51   0.239 -28.214  12.617
  426    HA   MET  51           HA       MET  51  -0.232 -28.306  15.351
  427    HB2  MET  51           HB2      MET  51  -2.024 -28.549  13.682
  428    HB3  MET  51           HB1      MET  51  -1.378 -30.121  13.210
  429    HG2  MET  51           HG2      MET  51  -1.805 -30.991  15.471
  430    HG3  MET  51           HG1      MET  51  -2.392 -29.406  15.976
  431    HE1  MET  51           HE1      MET  51  -3.222 -31.289  12.372
  432    HE2  MET  51           HE2      MET  51  -4.248 -32.468  13.183
  433    HE3  MET  51           HE3      MET  51  -2.571 -32.281  13.685
  434    H    GLU  52           HN       GLU  52   1.072 -30.838  13.229
  435    HA   GLU  52           HA       GLU  52   1.266 -32.823  15.255
  436    HB2  GLU  52           HB2      GLU  52   2.715 -32.489  12.622
  437    HB3  GLU  52           HB1      GLU  52   2.849 -33.917  13.648
  438    HG2  GLU  52           HG2      GLU  52   0.439 -34.298  13.489
  439    HG3  GLU  52           HG1      GLU  52   0.249 -32.827  12.537
  440    H    LEU  53           HN       LEU  53   3.575 -30.469  13.943
  441    HA   LEU  53           HA       LEU  53   5.817 -31.316  15.429
  442    HB2  LEU  53           HB2      LEU  53   5.048 -28.733  14.095
  443    HB3  LEU  53           HB1      LEU  53   6.545 -28.849  15.016
  444    HG   LEU  53           HG       LEU  53   5.923 -30.939  12.925
  445   HD11  LEU  53          HD11      LEU  53   7.282 -29.479  11.334
  446   HD12  LEU  53          HD12      LEU  53   6.994 -28.147  12.453
  447   HD13  LEU  53          HD13      LEU  53   5.634 -28.934  11.651
  448   HD21  LEU  53          HD21      LEU  53   7.864 -31.295  14.397
  449   HD22  LEU  53          HD22      LEU  53   8.480 -29.692  13.997
  450   HD23  LEU  53          HD23      LEU  53   8.411 -30.947  12.761
  451    H    ILE  54           HN       ILE  54   3.306 -28.909  16.119
  452    HA   ILE  54           HA       ILE  54   4.426 -27.933  18.509
  453    HB   ILE  54           HB       ILE  54   1.589 -28.031  17.509
  454   HG12  ILE  54          HG12      ILE  54   3.507 -26.563  16.465
  455   HG13  ILE  54          HG11      ILE  54   1.943 -25.842  16.801
  456   HG21  ILE  54          HG21      ILE  54   1.283 -27.931  19.839
  457   HG22  ILE  54          HG22      ILE  54   1.261 -26.238  19.346
  458   HG23  ILE  54          HG23      ILE  54   2.710 -26.925  20.081
  459   HD11  ILE  54          HD11      ILE  54   2.718 -24.642  18.642
  460   HD12  ILE  54          HD12      ILE  54   4.110 -24.584  17.561
  461   HD13  ILE  54          HD13      ILE  54   4.082 -25.723  18.905
  462    H    ASP  55           HN       ASP  55   2.156 -30.574  17.875
  463    HA   ASP  55           HA       ASP  55   1.545 -31.207  20.524
  464    HB2  ASP  55           HB2      ASP  55   0.308 -32.124  18.620
  465    HB3  ASP  55           HB1      ASP  55   1.731 -33.037  18.121
  466    H    LEU  56           HN       LEU  56   4.198 -32.241  18.432
  467    HA   LEU  56           HA       LEU  56   5.255 -34.169  20.181
  468    HB2  LEU  56           HB2      LEU  56   6.554 -32.514  18.017
  469    HB3  LEU  56           HB1      LEU  56   7.379 -33.820  18.864
  470    HG   LEU  56           HG       LEU  56   4.748 -34.171  17.397
  471   HD11  LEU  56          HD11      LEU  56   6.106 -35.215  15.608
  472   HD12  LEU  56          HD12      LEU  56   7.574 -34.761  16.473
  473   HD13  LEU  56          HD13      LEU  56   6.513 -33.513  15.822
  474   HD21  LEU  56          HD21      LEU  56   4.903 -35.999  18.847
  475   HD22  LEU  56          HD22      LEU  56   6.666 -36.012  18.821
  476   HD23  LEU  56          HD23      LEU  56   5.756 -36.627  17.442
  477    H    TYR  57           HN       TYR  57   5.902 -30.705  19.831
  478    HA   TYR  57           HA       TYR  57   7.924 -30.718  21.901
  479    HB2  TYR  57           HB2      TYR  57   6.587 -28.552  20.283
  480    HB3  TYR  57           HB1      TYR  57   7.685 -28.172  21.610
  481    HD1  TYR  57           HD2      TYR  57   9.947 -29.587  21.589
  482    HD2  TYR  57           HD1      TYR  57   7.517 -28.774  18.143
  483    HE1  TYR  57           HE2      TYR  57  11.898 -29.994  20.118
  484    HE2  TYR  57           HE1      TYR  57   9.468 -29.180  16.671
  485    HH   TYR  57           HH       TYR  57  12.046 -29.041  16.964
  486    H    GLU  58           HN       GLU  58   4.750 -29.090  21.603
  487    HA   GLU  58           HA       GLU  58   4.489 -28.086  24.119
  488    HB2  GLU  58           HB2      GLU  58   2.236 -27.836  23.678
  489    HB3  GLU  58           HB1      GLU  58   2.779 -28.229  22.053
  490    HG2  GLU  58           HG2      GLU  58   2.300 -30.668  22.618
  491    HG3  GLU  58           HG1      GLU  58   1.498 -30.084  24.071
  492    H    GLU  59           HN       GLU  59   4.588 -31.421  23.251
  493    HA   GLU  59           HA       GLU  59   3.363 -32.343  25.712
  494    HB2  GLU  59           HB2      GLU  59   3.167 -33.588  23.561
  495    HB3  GLU  59           HB1      GLU  59   4.898 -33.912  23.625
  496    HG2  GLU  59           HG2      GLU  59   3.763 -35.834  24.536
  497    HG3  GLU  59           HG1      GLU  59   4.523 -34.989  25.882
  498    H    SER  60           HN       SER  60   6.630 -32.124  24.354
  499    HA   SER  60           HA       SER  60   7.808 -33.179  26.817
  500    HB2  SER  60           HB2      SER  60   8.623 -33.822  24.515
  501    HB3  SER  60           HB1      SER  60   9.215 -32.173  24.337
  502    HG   SER  60           HG       SER  60  10.915 -33.046  25.263
  503    H    GLN  61           HN       GLN  61   7.076 -30.119  25.411
  504    HA   GLN  61           HA       GLN  61   9.169 -28.581  26.546
  505    HB2  GLN  61           HB2      GLN  61   7.031 -28.102  24.797
  506    HB3  GLN  61           HB1      GLN  61   6.680 -27.072  26.177
  507    HG2  GLN  61           HG2      GLN  61   8.034 -25.743  24.747
  508    HG3  GLN  61           HG1      GLN  61   9.129 -26.301  26.011
  509   HE21  GLN  61          HE21      GLN  61   9.951 -25.547  23.299
  510   HE22  GLN  61          HE22      GLN  61  10.612 -26.936  22.584
  511    HA   PRO  62           HA       PRO  62   6.413 -27.895  30.266
  512    HB2  PRO  62           HB2      PRO  62   3.810 -28.623  30.237
  513    HB3  PRO  62           HB1      PRO  62   4.395 -27.226  29.311
  514    HG2  PRO  62           HG2      PRO  62   3.491 -29.853  28.327
  515    HG3  PRO  62           HG1      PRO  62   3.656 -28.320  27.456
  516    HD2  PRO  62           HD2      PRO  62   5.558 -30.569  27.571
  517    HD3  PRO  62           HD1      PRO  62   5.586 -29.140  26.513
  518    H    SER  63           HN       SER  63   7.710 -29.421  31.281
  519    HA   SER  63           HA       SER  63   7.168 -32.182  31.558
  520    HB2  SER  63           HB2      SER  63   8.807 -32.046  33.422
  521    HB3  SER  63           HB1      SER  63   9.392 -31.246  31.966
  522    HG   SER  63           HG       SER  63   9.249 -29.366  32.936
  523    H    SER  64           HN       SER  64   5.828 -29.362  32.998
  524    HA   SER  64           HA       SER  64   4.828 -30.725  35.372
  525    HB2  SER  64           HB2      SER  64   4.234 -27.947  34.323
  526    HB3  SER  64           HB1      SER  64   3.791 -28.576  35.908
  527    HG   SER  64           HG       SER  64   5.892 -28.612  36.488
  528    H    GLU  65           HN       GLU  65   4.051 -31.444  32.504
  529    HA   GLU  65           HA       GLU  65   2.179 -32.122  31.373
  530    HB2  GLU  65           HB2      GLU  65   1.106 -32.134  34.197
  531    HB3  GLU  65           HB1      GLU  65   0.231 -32.791  32.813
  532    HG2  GLU  65           HG2      GLU  65   3.021 -33.654  33.610
  533    HG3  GLU  65           HG1      GLU  65   1.557 -34.513  34.085
  534    H    ARG  66           HN       ARG  66   2.677 -29.304  31.567
  535    HA   ARG  66           HA       ARG  66   0.145 -27.987  31.986
  536    HB2  ARG  66           HB2      ARG  66   2.550 -27.012  32.317
  537    HB3  ARG  66           HB1      ARG  66   2.477 -26.707  30.582
  538    HG2  ARG  66           HG2      ARG  66   1.577 -24.714  31.396
  539    HG3  ARG  66           HG1      ARG  66   0.106 -25.660  31.177
  540    HD2  ARG  66           HD2      ARG  66   0.234 -26.343  33.579
  541    HD3  ARG  66           HD1      ARG  66   1.646 -25.312  33.769
  542    HE   ARG  66           HE       ARG  66  -0.429 -23.751  32.702
  543   HH11  ARG  66          HH21      ARG  66   0.376 -25.545  35.544
  544   HH12  ARG  66          HH22      ARG  66  -0.519 -24.522  36.616
  545   HH21  ARG  66          HH11      ARG  66  -1.609 -22.398  34.097
  546   HH22  ARG  66          HH12      ARG  66  -1.644 -22.735  35.795
  547    H    LEU  67           HN       LEU  67   1.548 -29.695  29.416
  548    HA   LEU  67           HA       LEU  67   0.957 -28.446  27.094
  549    HB2  LEU  67           HB2      LEU  67   0.202 -30.696  26.200
  550    HB3  LEU  67           HB1      LEU  67   1.786 -30.657  26.957
  551    HG   LEU  67           HG       LEU  67  -0.248 -31.190  28.986
  552   HD11  LEU  67          HD11      LEU  67  -1.579 -32.154  27.196
  553   HD12  LEU  67          HD12      LEU  67  -0.898 -33.455  28.175
  554   HD13  LEU  67          HD13      LEU  67  -0.189 -33.067  26.608
  555   HD21  LEU  67          HD21      LEU  67   1.195 -33.074  29.487
  556   HD22  LEU  67          HD22      LEU  67   2.218 -31.691  29.090
  557   HD23  LEU  67          HD23      LEU  67   1.960 -32.970  27.903
  558    H    ASN  68           HN       ASN  68  -1.312 -29.312  29.529
  559    HA   ASN  68           HA       ASN  68  -3.687 -29.508  28.054
  560    HB2  ASN  68           HB2      ASN  68  -4.819 -28.986  30.128
  561    HB3  ASN  68           HB1      ASN  68  -3.428 -30.004  30.497
  562   HD21  ASN  68          HD21      ASN  68  -2.001 -29.201  32.062
  563   HD22  ASN  68          HD22      ASN  68  -1.960 -27.587  32.587
  564    H    ALA  69           HN       ALA  69  -1.984 -26.685  29.373
  565    HA   ALA  69           HA       ALA  69  -3.927 -24.776  28.522
  566    HB1  ALA  69           HB1      ALA  69  -2.299 -23.111  29.115
  567    HB2  ALA  69           HB2      ALA  69  -0.985 -24.283  29.031
  568    HB3  ALA  69           HB3      ALA  69  -2.190 -24.400  30.314
  569    H    PHE  70           HN       PHE  70  -0.976 -26.106  27.117
  570    HA   PHE  70           HA       PHE  70  -0.862 -24.370  24.870
  571    HB2  PHE  70           HB2      PHE  70   0.294 -27.109  25.364
  572    HB3  PHE  70           HB1      PHE  70   0.607 -26.175  23.906
  573    HD1  PHE  70           HD2      PHE  70   0.990 -26.181  27.608
  574    HD2  PHE  70           HD1      PHE  70   2.107 -24.317  23.903
  575    HE1  PHE  70           HE2      PHE  70   2.755 -24.899  28.786
  576    HE2  PHE  70           HE1      PHE  70   3.869 -23.032  25.082
  577    HZ   PHE  70           HZ       PHE  70   4.194 -23.323  27.523
  578    H    ARG  71           HN       ARG  71  -2.686 -27.225  25.607
  579    HA   ARG  71           HA       ARG  71  -3.308 -28.264  23.135
  580    HB2  ARG  71           HB2      ARG  71  -4.137 -29.164  25.289
  581    HB3  ARG  71           HB1      ARG  71  -5.254 -27.805  25.405
  582    HG2  ARG  71           HG2      ARG  71  -6.338 -28.491  23.310
  583    HG3  ARG  71           HG1      ARG  71  -5.203 -29.832  23.151
  584    HD2  ARG  71           HD2      ARG  71  -6.014 -30.725  25.334
  585    HD3  ARG  71           HD1      ARG  71  -7.205 -29.429  25.389
  586    HE   ARG  71           HE       ARG  71  -8.429 -30.521  23.719
  587   HH11  ARG  71          HH21      ARG  71  -5.322 -31.969  24.208
  588   HH12  ARG  71          HH22      ARG  71  -5.684 -33.385  23.277
  589   HH21  ARG  71          HH11      ARG  71  -8.907 -32.369  22.497
  590   HH22  ARG  71          HH12      ARG  71  -7.714 -33.611  22.309
  591    H    GLU  72           HN       GLU  72  -4.236 -25.215  24.514
  592    HA   GLU  72           HA       GLU  72  -6.412 -24.630  22.786
  593    HB2  GLU  72           HB2      GLU  72  -4.516 -22.827  24.302
  594    HB3  GLU  72           HB1      GLU  72  -5.937 -22.253  23.428
  595    HG2  GLU  72           HG2      GLU  72  -6.037 -24.362  25.593
  596    HG3  GLU  72           HG1      GLU  72  -6.330 -22.649  25.886
  597    H    LEU  73           HN       LEU  73  -2.931 -24.305  22.537
  598    HA   LEU  73           HA       LEU  73  -2.828 -22.593  20.301
  599    HB2  LEU  73           HB2      LEU  73  -0.942 -23.561  21.919
  600    HB3  LEU  73           HB1      LEU  73  -0.793 -24.776  20.657
  601    HG   LEU  73           HG       LEU  73   0.775 -22.992  20.190
  602   HD11  LEU  73          HD11      LEU  73  -1.495 -22.468  18.283
  603   HD12  LEU  73          HD12      LEU  73  -0.677 -24.031  18.311
  604   HD13  LEU  73          HD13      LEU  73   0.231 -22.564  17.943
  605   HD21  LEU  73          HD21      LEU  73   0.344 -20.754  20.396
  606   HD22  LEU  73          HD22      LEU  73  -0.957 -21.298  21.450
  607   HD23  LEU  73          HD23      LEU  73  -1.298 -20.890  19.768
  608    H    ARG  74           HN       ARG  74  -2.943 -26.130  20.577
  609    HA   ARG  74           HA       ARG  74  -2.739 -26.728  17.837
  610    HB2  ARG  74           HB2      ARG  74  -4.073 -28.213  20.108
  611    HB3  ARG  74           HB1      ARG  74  -3.952 -28.861  18.470
  612    HG2  ARG  74           HG2      ARG  74  -1.473 -28.551  18.580
  613    HG3  ARG  74           HG1      ARG  74  -1.649 -28.050  20.264
  614    HD2  ARG  74           HD2      ARG  74  -2.696 -30.687  19.231
  615    HD3  ARG  74           HD1      ARG  74  -1.076 -30.505  19.891
  616    HE   ARG  74           HE       ARG  74  -2.881 -29.427  21.751
  617   HH11  ARG  74          HH21      ARG  74  -2.083 -32.445  20.262
  618   HH12  ARG  74          HH22      ARG  74  -2.586 -33.404  21.614
  619   HH21  ARG  74          HH11      ARG  74  -3.543 -30.678  23.531
  620   HH22  ARG  74          HH12      ARG  74  -3.411 -32.403  23.465
  621    H    THR  75           HN       THR  75  -5.419 -25.711  19.833
  622    HA   THR  75           HA       THR  75  -7.531 -26.353  18.116
  623    HB   THR  75           HB       THR  75  -7.424 -23.922  19.836
  624    HG1  THR  75           HG1      THR  75  -7.846 -26.628  20.520
  625   HG21  THR  75          HG21      THR  75  -9.770 -24.142  19.949
  626   HG22  THR  75          HG22      THR  75  -9.714 -25.789  19.324
  627   HG23  THR  75          HG23      THR  75  -9.371 -24.428  18.255
  628    H    GLN  76           HN       GLN  76  -5.506 -23.447  18.308
  629    HA   GLN  76           HA       GLN  76  -6.830 -21.938  16.339
  630    HB2  GLN  76           HB2      GLN  76  -4.021 -21.964  17.423
  631    HB3  GLN  76           HB1      GLN  76  -4.430 -20.917  16.065
  632    HG2  GLN  76           HG2      GLN  76  -4.694 -19.693  18.168
  633    HG3  GLN  76           HG1      GLN  76  -6.267 -19.925  17.409
  634   HE21  GLN  76          HE21      GLN  76  -4.340 -20.660  20.226
  635   HE22  GLN  76          HE22      GLN  76  -5.519 -21.571  21.037
  636    H    LEU  77           HN       LEU  77  -4.086 -24.190  16.078
  637    HA   LEU  77           HA       LEU  77  -3.720 -23.931  13.279
  638    HB2  LEU  77           HB2      LEU  77  -2.992 -26.015  15.325
  639    HB3  LEU  77           HB1      LEU  77  -2.700 -26.316  13.613
  640    HG   LEU  77           HG       LEU  77  -1.262 -24.396  13.430
  641   HD11  LEU  77          HD11      LEU  77  -2.356 -22.740  14.746
  642   HD12  LEU  77          HD12      LEU  77  -0.815 -23.021  15.557
  643   HD13  LEU  77          HD13      LEU  77  -2.290 -23.743  16.191
  644   HD21  LEU  77          HD21      LEU  77  -0.758 -26.066  15.901
  645   HD22  LEU  77          HD22      LEU  77   0.408 -24.879  15.320
  646   HD23  LEU  77          HD23      LEU  77  -0.045 -26.240  14.298
  647    H    GLU  78           HN       GLU  78  -5.657 -26.141  15.255
  648    HA   GLU  78           HA       GLU  78  -6.619 -27.726  13.099
  649    HB2  GLU  78           HB2      GLU  78  -7.603 -27.221  15.902
  650    HB3  GLU  78           HB1      GLU  78  -8.440 -28.306  14.795
  651    HG2  GLU  78           HG2      GLU  78  -6.467 -29.683  14.573
  652    HG3  GLU  78           HG1      GLU  78  -5.516 -28.553  15.538
  653    H    LYS  79           HN       LYS  79  -7.840 -24.823  14.723
  654    HA   LYS  79           HA       LYS  79 -10.329 -24.710  13.375
  655    HB2  LYS  79           HB2      LYS  79  -8.636 -22.625  14.756
  656    HB3  LYS  79           HB1      LYS  79 -10.200 -22.245  14.040
  657    HG2  LYS  79           HG2      LYS  79  -9.963 -24.554  15.966
  658    HG3  LYS  79           HG1      LYS  79 -10.067 -22.909  16.585
  659    HD2  LYS  79           HD2      LYS  79 -12.164 -22.581  15.275
  660    HD3  LYS  79           HD1      LYS  79 -12.084 -24.268  14.769
  661    HE2  LYS  79           HE2      LYS  79 -12.099 -23.419  17.671
  662    HE3  LYS  79           HE1      LYS  79 -13.566 -23.827  16.779
  663    HZ1  LYS  79           HZ1      LYS  79 -11.220 -25.612  17.140
  664    HZ2  LYS  79           HZ2      LYS  79 -12.653 -26.003  16.315
  665    HZ3  LYS  79           HZ3      LYS  79 -12.681 -25.731  17.992
  666    H    ALA  80           HN       ALA  80  -7.157 -23.284  12.757
  667    HA   ALA  80           HA       ALA  80  -7.913 -21.779  10.498
  668    HB1  ALA  80           HB1      ALA  80  -5.241 -22.984  11.235
  669    HB2  ALA  80           HB2      ALA  80  -5.792 -21.345  11.581
  670    HB3  ALA  80           HB3      ALA  80  -5.484 -21.840   9.916
  671    H    LEU  81           HN       LEU  81  -7.265 -25.150  10.975
  672    HA   LEU  81           HA       LEU  81  -6.670 -25.890   8.320
  673    HB2  LEU  81           HB2      LEU  81  -6.651 -27.233  10.649
  674    HB3  LEU  81           HB1      LEU  81  -8.220 -27.772  10.065
  675    HG   LEU  81           HG       LEU  81  -6.541 -29.355   9.315
  676   HD11  LEU  81          HD11      LEU  81  -7.091 -27.689   6.864
  677   HD12  LEU  81          HD12      LEU  81  -8.413 -28.483   7.722
  678   HD13  LEU  81          HD13      LEU  81  -7.103 -29.442   7.035
  679   HD21  LEU  81          HD21      LEU  81  -4.782 -27.225   9.283
  680   HD22  LEU  81          HD22      LEU  81  -5.075 -27.460   7.563
  681   HD23  LEU  81          HD23      LEU  81  -4.464 -28.792   8.542
  682    H    GLY  82           HN       GLY  82  -9.725 -25.488  10.053
  683    HA2  GLY  82           HA2      GLY  82 -11.420 -26.546   8.045
  684    HA3  GLY  82           HA1      GLY  82 -11.907 -25.414   9.305
  685    H    LEU  83           HN       LEU  83  -9.293 -24.181   7.616
  686    HA   LEU  83           HA       LEU  83  -9.034 -22.465   6.125
  687    HB2  LEU  83           HB2      LEU  83 -11.560 -23.560   4.866
  688    HB3  LEU  83           HB1      LEU  83 -10.336 -22.557   4.088
  689    HG   LEU  83           HG       LEU  83  -9.884 -25.340   5.207
  690   HD11  LEU  83          HD11      LEU  83 -10.060 -24.321   2.356
  691   HD12  LEU  83          HD12      LEU  83 -11.225 -25.372   3.160
  692   HD13  LEU  83          HD13      LEU  83  -9.598 -25.959   2.819
  693   HD21  LEU  83          HD21      LEU  83  -7.792 -24.289   5.397
  694   HD22  LEU  83          HD22      LEU  83  -8.060 -23.268   3.983
  695   HD23  LEU  83          HD23      LEU  83  -7.702 -24.983   3.781
  696    H    GLU  84           HN       GLU  84 -10.204 -21.753   8.497
  697    HA   GLU  84           HA       GLU  84 -12.650 -20.342   8.230
  698    HB2  GLU  84           HB2      GLU  84 -10.354 -19.976  10.172
  699    HB3  GLU  84           HB1      GLU  84 -11.930 -19.200  10.327
  700    HG2  GLU  84           HG2      GLU  84 -11.515 -22.198  10.181
  701    HG3  GLU  84           HG1      GLU  84 -11.726 -21.299  11.682
  702    H    HIS  85           HN       HIS  85 -13.095 -18.348   7.492
  703    HA   HIS  85           HA       HIS  85 -12.818 -16.343   6.409
  704    HB2  HIS  85           HB2      HIS  85 -11.737 -15.787   8.595
  705    HB3  HIS  85           HB1      HIS  85 -10.184 -16.246   7.896
  706    HD2  HIS  85           HD2      HIS  85  -8.924 -14.076   6.766
  707    HE1  HIS  85           HE1      HIS  85 -12.345 -11.760   5.897
  708    HE2  HIS  85           HE2      HIS  85  -9.807 -11.818   5.798
  709    H    HIS  86           HN       HIS  86 -12.583 -17.772   4.478
  710    HA   HIS  86           HA       HIS  86 -10.129 -17.072   3.048
  711    HB2  HIS  86           HB2      HIS  86 -10.958 -19.875   3.734
  712    HB3  HIS  86           HB1      HIS  86 -10.208 -19.585   2.166
  713    HD2  HIS  86           HD2      HIS  86  -9.159 -19.895   5.883
  714    HE1  HIS  86           HE1      HIS  86  -5.768 -18.556   3.758
  715    HE2  HIS  86           HE2      HIS  86  -6.590 -19.442   5.990
  716    H    HIS  87           HN       HIS  87 -10.368 -17.961   0.690
  717    HA   HIS  87           HA       HIS  87 -12.730 -16.770  -0.385
  718    HB2  HIS  87           HB2      HIS  87 -10.577 -18.437  -1.706
  719    HB3  HIS  87           HB1      HIS  87 -11.824 -17.534  -2.566
  720    HD2  HIS  87           HD2      HIS  87 -11.552 -14.657  -2.355
  721    HE1  HIS  87           HE1      HIS  87  -7.621 -14.796  -0.822
  722    HE2  HIS  87           HE2      HIS  87  -9.406 -13.277  -1.800
  723    H    HIS  88           HN       HIS  88 -14.280 -17.826  -1.778
  724    HA   HIS  88           HA       HIS  88 -15.312 -20.238  -0.621
  725    HB2  HIS  88           HB2      HIS  88 -16.136 -18.602  -3.028
  726    HB3  HIS  88           HB1      HIS  88 -17.016 -20.025  -2.473
  727    HD2  HIS  88           HD2      HIS  88 -16.844 -16.273  -1.694
  728    HE1  HIS  88           HE1      HIS  88 -18.841 -18.060   1.570
  729    HE2  HIS  88           HE2      HIS  88 -18.251 -15.850   0.464
  730    H    HIS  89           HN       HIS  89 -12.999 -19.591  -2.982
  731    HA   HIS  89           HA       HIS  89 -13.436 -21.777  -4.764
  732    HB2  HIS  89           HB2      HIS  89 -12.104 -19.799  -5.374
  733    HB3  HIS  89           HB1      HIS  89 -10.906 -20.232  -4.156
  734    HD2  HIS  89           HD2      HIS  89 -12.196 -21.611  -7.633
  735    HE1  HIS  89           HE1      HIS  89  -8.534 -23.495  -6.695
  736    HE2  HIS  89           HE2      HIS  89 -10.317 -23.214  -8.483
  737    H    HIS  90           HN       HIS  90 -12.901 -23.865  -4.573
  738    HA   HIS  90           HA       HIS  90 -12.234 -25.833  -3.586
  739    HB2  HIS  90           HB2      HIS  90 -10.064 -24.939  -4.469
  740    HB3  HIS  90           HB1      HIS  90  -9.758 -24.243  -2.877
  741    HD2  HIS  90           HD2      HIS  90  -9.689 -27.734  -4.630
  742    HE1  HIS  90           HE1      HIS  90  -8.625 -28.318  -0.586
  743    HE2  HIS  90           HE2      HIS  90  -8.786 -29.431  -2.864
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  -3.200 -13.337  23.516
    2    H2   MET   1           HT2      MET   1  -4.796 -13.920  23.532
    3    H3   MET   1           HT3      MET   1  -3.760 -14.301  22.239
    4    HA   MET   1           HA       MET   1  -2.290 -15.321  24.121
    5    HB2  MET   1           HB2      MET   1  -5.117 -15.473  25.220
    6    HB3  MET   1           HB1      MET   1  -3.704 -16.282  25.897
    7    HG2  MET   1           HG2      MET   1  -4.036 -13.281  25.612
    8    HG3  MET   1           HG1      MET   1  -4.214 -14.184  27.114
    9    HE1  MET   1           HE1      MET   1  -2.651 -15.607  28.095
   10    HE2  MET   1           HE2      MET   1  -0.910 -15.351  28.168
   11    HE3  MET   1           HE3      MET   1  -1.591 -16.371  26.904
   12    H    GLY   2           HN       GLY   2  -5.513 -15.809  22.725
   13    HA2  GLY   2           HA2      GLY   2  -5.366 -18.606  22.401
   14    HA3  GLY   2           HA1      GLY   2  -6.391 -17.524  21.465
   15    H    VAL   3           HN       VAL   3  -5.496 -16.511  19.567
   16    HA   VAL   3           HA       VAL   3  -3.952 -18.275  17.975
   17    HB   VAL   3           HB       VAL   3  -5.582 -16.717  17.003
   18   HG11  VAL   3          HG11      VAL   3  -4.989 -14.874  18.675
   19   HG12  VAL   3          HG12      VAL   3  -5.259 -14.359  17.011
   20   HG13  VAL   3          HG13      VAL   3  -3.616 -14.512  17.630
   21   HG21  VAL   3          HG21      VAL   3  -3.516 -17.534  15.735
   22   HG22  VAL   3          HG22      VAL   3  -2.803 -15.959  16.071
   23   HG23  VAL   3          HG23      VAL   3  -4.272 -16.075  15.104
   24    H    TRP   4           HN       TRP   4  -3.169 -15.352  19.786
   25    HA   TRP   4           HA       TRP   4  -0.381 -15.417  18.895
   26    HB2  TRP   4           HB2      TRP   4  -1.906 -13.531  20.703
   27    HB3  TRP   4           HB1      TRP   4  -0.198 -13.357  20.298
   28    HD1  TRP   4           HD1      TRP   4   0.098 -13.682  17.382
   29    HE1  TRP   4           HE1      TRP   4  -1.160 -12.269  15.630
   30    HE3  TRP   4           HE3      TRP   4  -3.834 -12.063  20.211
   31    HZ2  TRP   4           HZ2      TRP   4  -3.522 -10.667  15.452
   32    HZ3  TRP   4           HZ3      TRP   4  -5.573 -10.597  19.225
   33    HH2  TRP   4           HH2      TRP   4  -5.422  -9.898  16.851
   34    H    THR   5           HN       THR   5   1.342 -15.830  20.207
   35    HA   THR   5           HA       THR   5   1.110 -16.310  23.018
   36    HB   THR   5           HB       THR   5   1.806 -18.760  21.403
   37    HG1  THR   5           HG1      THR   5  -0.700 -18.411  22.596
   38   HG21  THR   5          HG21      THR   5   0.684 -18.493  24.200
   39   HG22  THR   5          HG22      THR   5   2.416 -18.460  23.866
   40   HG23  THR   5          HG23      THR   5   1.471 -19.898  23.477
   41    HA   PRO   6           HA       PRO   6   5.315 -15.548  20.851
   42    HB2  PRO   6           HB2      PRO   6   5.594 -12.911  21.632
   43    HB3  PRO   6           HB1      PRO   6   4.863 -13.405  20.090
   44    HG2  PRO   6           HG2      PRO   6   3.519 -12.681  22.664
   45    HG3  PRO   6           HG1      PRO   6   3.126 -12.163  21.015
   46    HD2  PRO   6           HD2      PRO   6   1.720 -14.118  22.202
   47    HD3  PRO   6           HD1      PRO   6   2.126 -14.209  20.471
   48    H    GLU   7           HN       GLU   7   7.280 -14.502  22.106
   49    HA   GLU   7           HA       GLU   7   7.873 -15.962  24.340
   50    HB2  GLU   7           HB2      GLU   7   9.486 -14.536  23.065
   51    HB3  GLU   7           HB1      GLU   7   8.816 -13.122  23.881
   52    HG2  GLU   7           HG2      GLU   7   9.463 -14.000  26.051
   53    HG3  GLU   7           HG1      GLU   7   9.991 -15.515  25.323
   54    H    VAL   8           HN       VAL   8   5.667 -13.361  24.118
   55    HA   VAL   8           HA       VAL   8   5.705 -12.198  26.634
   56    HB   VAL   8           HB       VAL   8   3.290 -12.936  24.962
   57   HG11  VAL   8          HG11      VAL   8   2.506 -12.416  27.148
   58   HG12  VAL   8          HG12      VAL   8   2.314 -10.933  26.214
   59   HG13  VAL   8          HG13      VAL   8   3.668 -11.101  27.332
   60   HG21  VAL   8          HG21      VAL   8   4.749 -10.290  25.156
   61   HG22  VAL   8          HG22      VAL   8   3.507 -10.752  23.991
   62   HG23  VAL   8          HG23      VAL   8   5.108 -11.488  23.912
   63    H    LEU   9           HN       LEU   9   4.233 -15.258  25.595
   64    HA   LEU   9           HA       LEU   9   2.914 -15.877  27.994
   65    HB2  LEU   9           HB2      LEU   9   2.534 -17.135  25.922
   66    HB3  LEU   9           HB1      LEU   9   4.187 -17.741  25.969
   67    HG   LEU   9           HG       LEU   9   3.721 -18.893  28.101
   68   HD11  LEU   9          HD11      LEU   9   2.104 -17.668  29.245
   69   HD12  LEU   9          HD12      LEU   9   1.128 -19.003  28.638
   70   HD13  LEU   9          HD13      LEU   9   1.100 -17.443  27.814
   71   HD21  LEU   9          HD21      LEU   9   2.380 -20.655  27.204
   72   HD22  LEU   9          HD22      LEU   9   3.223 -19.940  25.831
   73   HD23  LEU   9          HD23      LEU   9   1.527 -19.552  26.122
   74    H    LYS  10           HN       LYS  10   6.186 -16.693  26.874
   75    HA   LYS  10           HA       LYS  10   6.950 -18.063  29.250
   76    HB2  LYS  10           HB2      LYS  10   8.513 -16.818  26.991
   77    HB3  LYS  10           HB1      LYS  10   9.292 -17.629  28.351
   78    HG2  LYS  10           HG2      LYS  10   8.123 -19.692  27.868
   79    HG3  LYS  10           HG1      LYS  10   7.171 -18.907  26.611
   80    HD2  LYS  10           HD2      LYS  10   8.866 -20.010  25.399
   81    HD3  LYS  10           HD1      LYS  10   9.458 -18.353  25.510
   82    HE2  LYS  10           HE2      LYS  10  11.211 -20.049  26.028
   83    HE3  LYS  10           HE1      LYS  10  10.906 -18.965  27.383
   84    HZ1  LYS  10           HZ1      LYS  10  10.242 -20.661  28.626
   85    HZ2  LYS  10           HZ2      LYS  10  10.795 -21.707  27.408
   86    HZ3  LYS  10           HZ3      LYS  10   9.169 -21.215  27.435
   87    H    ALA  11           HN       ALA  11   7.264 -14.738  28.124
   88    HA   ALA  11           HA       ALA  11   8.933 -13.769  30.164
   89    HB1  ALA  11           HB1      ALA  11   8.304 -11.598  29.458
   90    HB2  ALA  11           HB2      ALA  11   6.736 -12.154  28.874
   91    HB3  ALA  11           HB3      ALA  11   8.206 -12.592  28.004
   92    H    ARG  12           HN       ARG  12   5.477 -14.351  30.025
   93    HA   ARG  12           HA       ARG  12   4.983 -13.069  32.589
   94    HB2  ARG  12           HB2      ARG  12   3.227 -14.722  30.761
   95    HB3  ARG  12           HB1      ARG  12   2.669 -13.938  32.237
   96    HG2  ARG  12           HG2      ARG  12   4.088 -12.312  30.130
   97    HG3  ARG  12           HG1      ARG  12   2.382 -12.702  29.930
   98    HD2  ARG  12           HD2      ARG  12   1.858 -11.671  32.082
   99    HD3  ARG  12           HD1      ARG  12   3.558 -11.337  32.375
  100    HE   ARG  12           HE       ARG  12   1.795  -9.921  30.530
  101   HH11  ARG  12          HH21      ARG  12   5.006 -10.592  31.640
  102   HH12  ARG  12          HH22      ARG  12   5.678  -9.127  31.007
  103   HH21  ARG  12          HH11      ARG  12   2.669  -8.002  29.700
  104   HH22  ARG  12          HH12      ARG  12   4.356  -7.662  29.907
  105    H    ALA  13           HN       ALA  13   4.781 -16.380  31.290
  106    HA   ALA  13           HA       ALA  13   4.279 -17.609  33.793
  107    HB1  ALA  13           HB1      ALA  13   3.797 -18.732  31.672
  108    HB2  ALA  13           HB2      ALA  13   4.909 -19.699  32.640
  109    HB3  ALA  13           HB3      ALA  13   5.517 -18.755  31.281
  110    H    SER  14           HN       SER  14   7.247 -17.104  31.926
  111    HA   SER  14           HA       SER  14   8.890 -18.187  34.092
  112    HB2  SER  14           HB2      SER  14   9.237 -18.492  31.500
  113    HB3  SER  14           HB1      SER  14  10.039 -16.929  31.621
  114    HG   SER  14           HG       SER  14  11.035 -19.271  32.199
  115    H    VAL  15           HN       VAL  15   7.388 -15.352  33.582
  116    HA   VAL  15           HA       VAL  15   7.634 -13.247  34.452
  117    HB   VAL  15           HB       VAL  15  10.096 -14.257  35.880
  118   HG11  VAL  15          HG11      VAL  15   9.394 -12.584  37.547
  119   HG12  VAL  15          HG12      VAL  15   8.011 -12.158  36.539
  120   HG13  VAL  15          HG13      VAL  15   9.649 -11.839  35.970
  121   HG21  VAL  15          HG21      VAL  15   8.413 -14.772  37.735
  122   HG22  VAL  15          HG22      VAL  15   8.408 -15.885  36.369
  123   HG23  VAL  15          HG23      VAL  15   7.158 -14.648  36.501
  124    H    ILE  16           HN       ILE  16  10.944 -14.499  33.944
  125    HA   ILE  16           HA       ILE  16  11.516 -12.101  32.301
  126    HB   ILE  16           HB       ILE  16  13.431 -13.879  33.832
  127   HG12  ILE  16          HG12      ILE  16  11.801 -12.257  35.113
  128   HG13  ILE  16          HG11      ILE  16  13.513 -12.241  35.516
  129   HG21  ILE  16          HG21      ILE  16  14.636 -12.990  32.000
  130   HG22  ILE  16          HG22      ILE  16  14.966 -11.857  33.309
  131   HG23  ILE  16          HG23      ILE  16  13.778 -11.452  32.071
  132   HD11  ILE  16          HD11      ILE  16  12.334  -9.954  35.132
  133   HD12  ILE  16          HD12      ILE  16  12.417 -10.362  33.420
  134   HD13  ILE  16          HD13      ILE  16  13.897 -10.223  34.361
  135    H    GLY  17           HN       GLY  17  11.622 -12.447  30.220
  136    HA2  GLY  17           HA2      GLY  17  11.586 -15.009  29.020
  137    HA3  GLY  17           HA1      GLY  17  11.898 -13.486  28.188
  138    H    LYS  18           HN       LYS  18  13.185 -16.240  28.114
  139    HA   LYS  18           HA       LYS  18  15.841 -15.394  27.630
  140    HB2  LYS  18           HB2      LYS  18  16.946 -16.706  29.443
  141    HB3  LYS  18           HB1      LYS  18  16.078 -15.287  30.025
  142    HG2  LYS  18           HG2      LYS  18  14.094 -16.803  30.479
  143    HG3  LYS  18           HG1      LYS  18  15.143 -18.171  30.121
  144    HD2  LYS  18           HD2      LYS  18  15.959 -16.114  32.177
  145    HD3  LYS  18           HD1      LYS  18  14.873 -17.433  32.606
  146    HE2  LYS  18           HE2      LYS  18  17.633 -17.761  31.388
  147    HE3  LYS  18           HE1      LYS  18  17.215 -18.040  33.078
  148    HZ1  LYS  18           HZ1      LYS  18  16.741 -19.697  30.772
  149    HZ2  LYS  18           HZ2      LYS  18  15.377 -19.509  31.767
  150    HZ3  LYS  18           HZ3      LYS  18  16.825 -20.119  32.413
  151    HA   PRO  19           HA       PRO  19  14.135 -19.600  26.168
  152    HB2  PRO  19           HB2      PRO  19  13.939 -18.875  23.494
  153    HB3  PRO  19           HB1      PRO  19  12.597 -18.797  24.651
  154    HG2  PRO  19           HG2      PRO  19  14.420 -16.622  23.730
  155    HG3  PRO  19           HG1      PRO  19  12.667 -16.584  23.993
  156    HD2  PRO  19           HD2      PRO  19  14.376 -15.541  25.803
  157    HD3  PRO  19           HD1      PRO  19  12.888 -16.374  26.311
  158    H    ILE  20           HN       ILE  20  15.536 -21.137  25.443
  159    HA   ILE  20           HA       ILE  20  18.245 -20.302  24.764
  160    HB   ILE  20           HB       ILE  20  18.638 -22.824  24.826
  161   HG12  ILE  20          HG12      ILE  20  16.054 -23.006  26.360
  162   HG13  ILE  20          HG11      ILE  20  15.971 -23.066  24.600
  163   HG21  ILE  20          HG21      ILE  20  18.597 -22.849  27.300
  164   HG22  ILE  20          HG22      ILE  20  17.560 -21.422  27.293
  165   HG23  ILE  20          HG23      ILE  20  19.213 -21.315  26.686
  166   HD11  ILE  20          HD11      ILE  20  16.234 -25.310  25.846
  167   HD12  ILE  20          HD12      ILE  20  17.903 -24.808  26.124
  168   HD13  ILE  20          HD13      ILE  20  17.303 -25.006  24.477
  169    H    GLY  21           HN       GLY  21  19.176 -20.459  22.798
  170    HA2  GLY  21           HA2      GLY  21  17.510 -20.836  20.501
  171    HA3  GLY  21           HA1      GLY  21  19.251 -20.576  20.491
  172    H    GLU  22           HN       GLU  22  16.784 -22.812  19.977
  173    HA   GLU  22           HA       GLU  22  18.547 -24.830  19.092
  174    HB2  GLU  22           HB2      GLU  22  18.579 -24.947  21.757
  175    HB3  GLU  22           HB1      GLU  22  17.071 -25.821  21.516
  176    HG2  GLU  22           HG2      GLU  22  18.258 -27.368  19.955
  177    HG3  GLU  22           HG1      GLU  22  19.756 -26.508  20.287
  178    H    SER  23           HN       SER  23  16.611 -26.970  19.998
  179    HA   SER  23           HA       SER  23  14.786 -26.735  17.794
  180    HB2  SER  23           HB2      SER  23  13.958 -28.930  18.570
  181    HB3  SER  23           HB1      SER  23  15.712 -28.910  18.405
  182    HG   SER  23           HG       SER  23  15.673 -28.328  20.727
  183    H    TYR  24           HN       TYR  24  14.611 -26.392  21.293
  184    HA   TYR  24           HA       TYR  24  11.793 -26.327  21.524
  185    HB2  TYR  24           HB2      TYR  24  13.946 -25.079  23.242
  186    HB3  TYR  24           HB1      TYR  24  12.237 -25.133  23.677
  187    HD1  TYR  24           HD1      TYR  24  15.276 -27.149  23.097
  188    HD2  TYR  24           HD2      TYR  24  11.154 -27.215  24.306
  189    HE1  TYR  24           HE1      TYR  24  15.565 -29.458  23.956
  190    HE2  TYR  24           HE2      TYR  24  11.444 -29.523  25.165
  191    HH   TYR  24           HH       TYR  24  14.441 -31.313  24.650
  192    H    LYS  25           HN       LYS  25  14.147 -23.955  20.546
  193    HA   LYS  25           HA       LYS  25  12.358 -21.699  20.799
  194    HB2  LYS  25           HB2      LYS  25  14.864 -21.542  20.955
  195    HB3  LYS  25           HB1      LYS  25  14.941 -21.890  19.229
  196    HG2  LYS  25           HG2      LYS  25  13.661 -19.906  18.714
  197    HG3  LYS  25           HG1      LYS  25  13.370 -19.597  20.426
  198    HD2  LYS  25           HD2      LYS  25  15.797 -19.295  20.775
  199    HD3  LYS  25           HD1      LYS  25  16.077 -19.586  19.057
  200    HE2  LYS  25           HE2      LYS  25  14.704 -17.623  18.490
  201    HE3  LYS  25           HE1      LYS  25  14.389 -17.341  20.203
  202    HZ1  LYS  25           HZ1      LYS  25  16.586 -16.770  20.599
  203    HZ2  LYS  25           HZ2      LYS  25  16.274 -16.046  19.093
  204    HZ3  LYS  25           HZ3      LYS  25  17.149 -17.500  19.175
  205    H    ARG  26           HN       ARG  26  12.632 -24.253  18.636
  206    HA   ARG  26           HA       ARG  26  12.179 -23.005  16.161
  207    HB2  ARG  26           HB2      ARG  26  12.838 -25.369  16.413
  208    HB3  ARG  26           HB1      ARG  26  11.255 -25.725  17.100
  209    HG2  ARG  26           HG2      ARG  26  11.297 -26.303  14.711
  210    HG3  ARG  26           HG1      ARG  26  10.174 -24.977  14.999
  211    HD2  ARG  26           HD2      ARG  26  11.537 -23.415  13.951
  212    HD3  ARG  26           HD1      ARG  26  13.017 -24.297  14.320
  213    HE   ARG  26           HE       ARG  26  11.645 -25.921  12.577
  214   HH11  ARG  26          HH21      ARG  26  12.775 -22.651  12.644
  215   HH12  ARG  26          HH22      ARG  26  13.028 -22.558  10.934
  216   HH21  ARG  26          HH11      ARG  26  11.976 -25.810  10.342
  217   HH22  ARG  26          HH12      ARG  26  12.574 -24.350   9.628
  218    H    ILE  27           HN       ILE  27   9.948 -24.236  18.627
  219    HA   ILE  27           HA       ILE  27   7.593 -23.686  17.183
  220    HB   ILE  27           HB       ILE  27   6.603 -23.639  19.616
  221   HG12  ILE  27          HG12      ILE  27   9.302 -24.876  20.199
  222   HG13  ILE  27          HG11      ILE  27   8.976 -23.174  20.524
  223   HG21  ILE  27          HG21      ILE  27   6.431 -25.565  18.091
  224   HG22  ILE  27          HG22      ILE  27   6.778 -26.106  19.733
  225   HG23  ILE  27          HG23      ILE  27   8.064 -26.068  18.528
  226   HD11  ILE  27          HD11      ILE  27   8.588 -24.694  22.494
  227   HD12  ILE  27          HD12      ILE  27   7.268 -25.434  21.587
  228   HD13  ILE  27          HD13      ILE  27   7.186 -23.729  22.035
  229    H    LEU  28           HN       LEU  28   9.455 -21.807  19.507
  230    HA   LEU  28           HA       LEU  28   7.704 -19.600  19.688
  231    HB2  LEU  28           HB2      LEU  28  10.685 -19.861  20.103
  232    HB3  LEU  28           HB1      LEU  28   9.789 -18.383  20.455
  233    HG   LEU  28           HG       LEU  28   9.124 -21.096  21.640
  234   HD11  LEU  28          HD11      LEU  28  10.461 -18.809  23.093
  235   HD12  LEU  28          HD12      LEU  28  11.396 -20.074  22.295
  236   HD13  LEU  28          HD13      LEU  28  10.298 -20.488  23.609
  237   HD21  LEU  28          HD21      LEU  28   7.157 -19.884  21.906
  238   HD22  LEU  28          HD22      LEU  28   7.982 -18.326  21.909
  239   HD23  LEU  28          HD23      LEU  28   8.012 -19.344  23.346
  240    H    ALA  29           HN       ALA  29  10.473 -20.276  17.587
  241    HA   ALA  29           HA       ALA  29  10.399 -17.776  16.228
  242    HB1  ALA  29           HB1      ALA  29  11.522 -20.415  15.261
  243    HB2  ALA  29           HB2      ALA  29  12.389 -19.265  16.278
  244    HB3  ALA  29           HB3      ALA  29  11.919 -18.813  14.639
  245    H    LYS  30           HN       LYS  30   8.920 -20.919  15.674
  246    HA   LYS  30           HA       LYS  30   7.943 -20.424  13.075
  247    HB2  LYS  30           HB2      LYS  30   8.045 -22.645  14.418
  248    HB3  LYS  30           HB1      LYS  30   6.482 -22.151  15.061
  249    HG2  LYS  30           HG2      LYS  30   5.710 -23.263  13.184
  250    HG3  LYS  30           HG1      LYS  30   6.011 -21.697  12.433
  251    HD2  LYS  30           HD2      LYS  30   7.154 -23.129  10.977
  252    HD3  LYS  30           HD1      LYS  30   8.447 -22.653  12.073
  253    HE2  LYS  30           HE2      LYS  30   7.766 -24.742  13.450
  254    HE3  LYS  30           HE1      LYS  30   6.905 -25.238  11.997
  255    HZ1  LYS  30           HZ1      LYS  30   8.894 -26.138  11.522
  256    HZ2  LYS  30           HZ2      LYS  30   9.763 -25.037  12.480
  257    HZ3  LYS  30           HZ3      LYS  30   9.221 -24.581  10.935
  258    H    LEU  31           HN       LEU  31   6.762 -19.611  16.251
  259    HA   LEU  31           HA       LEU  31   4.104 -18.992  15.634
  260    HB2  LEU  31           HB2      LEU  31   5.323 -19.100  17.928
  261    HB3  LEU  31           HB1      LEU  31   5.714 -17.408  17.623
  262    HG   LEU  31           HG       LEU  31   3.096 -17.261  17.066
  263   HD11  LEU  31          HD11      LEU  31   3.048 -19.376  19.223
  264   HD12  LEU  31          HD12      LEU  31   2.987 -19.826  17.521
  265   HD13  LEU  31          HD13      LEU  31   1.724 -18.803  18.204
  266   HD21  LEU  31          HD21      LEU  31   4.235 -17.377  19.876
  267   HD22  LEU  31          HD22      LEU  31   2.704 -16.627  19.433
  268   HD23  LEU  31          HD23      LEU  31   4.215 -15.966  18.817
  269    H    GLN  32           HN       GLN  32   7.079 -17.142  15.290
  270    HA   GLN  32           HA       GLN  32   6.121 -14.588  14.859
  271    HB2  GLN  32           HB2      GLN  32   8.379 -16.020  13.444
  272    HB3  GLN  32           HB1      GLN  32   8.114 -14.278  13.397
  273    HG2  GLN  32           HG2      GLN  32   8.462 -15.851  15.958
  274    HG3  GLN  32           HG1      GLN  32   9.784 -15.022  15.137
  275   HE21  GLN  32          HE21      GLN  32   8.053 -14.547  17.773
  276   HE22  GLN  32          HE22      GLN  32   7.758 -12.878  17.699
  277    H    ARG  33           HN       ARG  33   6.399 -17.260  12.525
  278    HA   ARG  33           HA       ARG  33   5.477 -15.820  10.269
  279    HB2  ARG  33           HB2      ARG  33   5.453 -18.766  10.931
  280    HB3  ARG  33           HB1      ARG  33   4.910 -18.124   9.379
  281    HG2  ARG  33           HG2      ARG  33   7.129 -17.028   9.093
  282    HG3  ARG  33           HG1      ARG  33   7.663 -17.782  10.597
  283    HD2  ARG  33           HD2      ARG  33   7.248 -20.008   9.647
  284    HD3  ARG  33           HD1      ARG  33   6.675 -19.275   8.150
  285    HE   ARG  33           HE       ARG  33   9.345 -18.439   8.884
  286   HH11  ARG  33          HH21      ARG  33   7.406 -20.852   7.345
  287   HH12  ARG  33          HH22      ARG  33   8.668 -21.394   6.290
  288   HH21  ARG  33          HH11      ARG  33  11.010 -19.141   7.503
  289   HH22  ARG  33          HH12      ARG  33  10.710 -20.425   6.379
  290    H    ILE  34           HN       ILE  34   3.813 -17.687  12.758
  291    HA   ILE  34           HA       ILE  34   1.249 -17.684  11.588
  292    HB   ILE  34           HB       ILE  34   1.888 -17.624  14.547
  293   HG12  ILE  34          HG12      ILE  34   1.868 -19.904  12.551
  294   HG13  ILE  34          HG11      ILE  34   3.233 -19.357  13.511
  295   HG21  ILE  34          HG21      ILE  34  -0.229 -18.699  14.828
  296   HG22  ILE  34          HG22      ILE  34  -0.378 -19.022  13.103
  297   HG23  ILE  34          HG23      ILE  34  -0.538 -17.375  13.708
  298   HD11  ILE  34          HD11      ILE  34   1.745 -19.880  15.562
  299   HD12  ILE  34          HD12      ILE  34   2.433 -21.246  14.685
  300   HD13  ILE  34          HD13      ILE  34   0.748 -20.793  14.434
  301    H    HIS  35           HN       HIS  35   2.875 -15.389  13.752
  302    HA   HIS  35           HA       HIS  35   0.727 -13.700  14.302
  303    HB2  HIS  35           HB2      HIS  35   2.949 -13.543  15.382
  304    HB3  HIS  35           HB1      HIS  35   3.620 -12.923  13.874
  305    HD2  HIS  35           HD2      HIS  35   1.389 -11.681  16.840
  306    HE1  HIS  35           HE1      HIS  35   1.980  -8.427  14.216
  307    HE2  HIS  35           HE2      HIS  35   1.061  -9.116  16.481
  308    H    ASN  36           HN       ASN  36   3.188 -13.280  11.739
  309    HA   ASN  36           HA       ASN  36   1.649 -11.199  10.457
  310    HB2  ASN  36           HB2      ASN  36   4.201 -12.653   9.774
  311    HB3  ASN  36           HB1      ASN  36   3.462 -11.501   8.662
  312   HD21  ASN  36          HD21      ASN  36   6.024 -10.993   9.831
  313   HD22  ASN  36          HD22      ASN  36   5.873  -9.674  10.889
  314    H    SER  37           HN       SER  37   2.510 -14.553   9.683
  315    HA   SER  37           HA       SER  37   0.881 -14.581   7.296
  316    HB2  SER  37           HB2      SER  37   1.829 -16.643   6.852
  317    HB3  SER  37           HB1      SER  37   3.069 -15.961   7.899
  318    HG   SER  37           HG       SER  37   2.687 -17.754   8.960
  319    H    ASN  38           HN       ASN  38  -0.239 -14.175  10.133
  320    HA   ASN  38           HA       ASN  38  -1.720 -16.257  11.094
  321    HB2  ASN  38           HB2      ASN  38  -1.738 -13.947  12.016
  322    HB3  ASN  38           HB1      ASN  38  -2.761 -13.446  10.671
  323   HD21  ASN  38          HD21      ASN  38  -2.815 -16.325  12.851
  324   HD22  ASN  38          HD22      ASN  38  -4.445 -16.135  13.287
  325    H    ILE  39           HN       ILE  39  -3.034 -17.658  10.197
  326    HA   ILE  39           HA       ILE  39  -4.465 -18.666   8.712
  327    HB   ILE  39           HB       ILE  39  -5.745 -15.942   8.515
  328   HG12  ILE  39          HG12      ILE  39  -6.089 -18.041  10.653
  329   HG13  ILE  39          HG11      ILE  39  -5.256 -16.508  10.880
  330   HG21  ILE  39          HG21      ILE  39  -7.790 -17.292   8.255
  331   HG22  ILE  39          HG22      ILE  39  -6.841 -18.769   8.439
  332   HG23  ILE  39          HG23      ILE  39  -6.601 -17.732   7.031
  333   HD11  ILE  39          HD11      ILE  39  -7.481 -16.175  11.690
  334   HD12  ILE  39          HD12      ILE  39  -8.182 -16.949  10.269
  335   HD13  ILE  39          HD13      ILE  39  -7.405 -15.373  10.120
  336    H    LEU  40           HN       LEU  40  -2.455 -18.610   7.272
  337    HA   LEU  40           HA       LEU  40  -3.038 -17.057   4.812
  338    HB2  LEU  40           HB2      LEU  40  -0.912 -16.390   5.951
  339    HB3  LEU  40           HB1      LEU  40  -0.328 -18.038   5.743
  340    HG   LEU  40           HG       LEU  40  -0.620 -17.816   3.286
  341   HD11  LEU  40          HD11      LEU  40  -0.775 -15.239   2.597
  342   HD12  LEU  40          HD12      LEU  40  -1.673 -15.130   4.113
  343   HD13  LEU  40          HD13      LEU  40  -2.227 -16.208   2.832
  344   HD21  LEU  40          HD21      LEU  40   1.065 -15.553   4.376
  345   HD22  LEU  40          HD22      LEU  40   1.358 -16.528   2.936
  346   HD23  LEU  40          HD23      LEU  40   1.523 -17.250   4.536
  347    H    ASP  41           HN       ASP  41  -2.821 -18.103   2.830
  348    HA   ASP  41           HA       ASP  41  -3.701 -20.706   2.634
  349    HB2  ASP  41           HB2      ASP  41  -2.034 -19.082   0.720
  350    HB3  ASP  41           HB1      ASP  41  -2.721 -20.650   0.304
  351    H    GLU  42           HN       GLU  42  -0.346 -19.571   2.557
  352    HA   GLU  42           HA       GLU  42   0.740 -22.210   2.274
  353    HB2  GLU  42           HB2      GLU  42   1.943 -19.570   3.083
  354    HB3  GLU  42           HB1      GLU  42   2.884 -21.043   2.852
  355    HG2  GLU  42           HG2      GLU  42   1.098 -19.806   0.739
  356    HG3  GLU  42           HG1      GLU  42   2.842 -19.564   0.827
  357    H    ARG  43           HN       ARG  43   0.493 -19.922   4.992
  358    HA   ARG  43           HA       ARG  43   1.712 -21.587   6.921
  359    HB2  ARG  43           HB2      ARG  43   1.236 -19.105   7.111
  360    HB3  ARG  43           HB1      ARG  43  -0.436 -19.548   7.471
  361    HG2  ARG  43           HG2      ARG  43   1.037 -21.200   9.184
  362    HG3  ARG  43           HG1      ARG  43   1.947 -19.697   9.203
  363    HD2  ARG  43           HD2      ARG  43   0.238 -19.693  10.954
  364    HD3  ARG  43           HD1      ARG  43  -0.110 -18.457   9.757
  365    HE   ARG  43           HE       ARG  43  -1.462 -20.792   8.992
  366   HH11  ARG  43          HH21      ARG  43  -1.395 -18.481  11.560
  367   HH12  ARG  43          HH22      ARG  43  -3.078 -18.646  11.939
  368   HH21  ARG  43          HH11      ARG  43  -3.670 -21.016   9.478
  369   HH22  ARG  43          HH12      ARG  43  -4.367 -20.082  10.760
  370    H    GLN  44           HN       GLN  44  -1.689 -21.184   5.979
  371    HA   GLN  44           HA       GLN  44  -3.029 -22.612   7.872
  372    HB2  GLN  44           HB2      GLN  44  -3.369 -22.365   4.902
  373    HB3  GLN  44           HB1      GLN  44  -4.378 -23.522   5.763
  374    HG2  GLN  44           HG2      GLN  44  -5.229 -21.786   7.217
  375    HG3  GLN  44           HG1      GLN  44  -4.123 -20.601   6.525
  376   HE21  GLN  44          HE21      GLN  44  -6.525 -19.641   6.228
  377   HE22  GLN  44          HE22      GLN  44  -7.228 -19.964   4.717
  378    H    GLY  45           HN       GLY  45  -1.050 -23.930   5.260
  379    HA2  GLY  45           HA2      GLY  45  -1.664 -26.666   5.821
  380    HA3  GLY  45           HA1      GLY  45  -0.337 -26.081   4.818
  381    H    LEU  46           HN       LEU  46   0.747 -24.366   6.909
  382    HA   LEU  46           HA       LEU  46   2.521 -26.207   8.108
  383    HB2  LEU  46           HB2      LEU  46   3.238 -23.928   7.693
  384    HB3  LEU  46           HB1      LEU  46   1.985 -23.297   8.756
  385    HG   LEU  46           HG       LEU  46   3.004 -24.367  10.678
  386   HD11  LEU  46          HD11      LEU  46   3.971 -26.382   9.947
  387   HD12  LEU  46          HD12      LEU  46   5.391 -25.381  10.229
  388   HD13  LEU  46          HD13      LEU  46   4.787 -25.609   8.589
  389   HD21  LEU  46          HD21      LEU  46   4.854 -22.958  10.910
  390   HD22  LEU  46          HD22      LEU  46   3.848 -22.129   9.730
  391   HD23  LEU  46          HD23      LEU  46   5.265 -23.040   9.200
  392    H    MET  47           HN       MET  47  -0.473 -24.764   9.185
  393    HA   MET  47           HA       MET  47  -0.263 -25.209  11.937
  394    HB2  MET  47           HB2      MET  47  -2.584 -25.060  10.029
  395    HB3  MET  47           HB1      MET  47  -2.859 -25.435  11.728
  396    HG2  MET  47           HG2      MET  47  -3.005 -22.969  11.084
  397    HG3  MET  47           HG1      MET  47  -1.935 -23.344  12.433
  398    HE1  MET  47           HE1      MET  47  -0.203 -21.436  12.409
  399    HE2  MET  47           HE2      MET  47   1.258 -21.888  11.533
  400    HE3  MET  47           HE3      MET  47   0.434 -23.077  12.533
  401    H    HIS  48           HN       HIS  48  -1.297 -27.385   9.343
  402    HA   HIS  48           HA       HIS  48  -2.188 -29.493  10.992
  403    HB2  HIS  48           HB2      HIS  48  -2.692 -29.375   8.598
  404    HB3  HIS  48           HB1      HIS  48  -0.985 -29.606   8.218
  405    HD2  HIS  48           HD2      HIS  48  -4.085 -31.748   8.991
  406    HE1  HIS  48           HE1      HIS  48  -0.750 -34.324   9.252
  407    HE2  HIS  48           HE2      HIS  48  -3.287 -34.228   9.177
  408    H    GLU  49           HN       GLU  49   0.968 -28.988   9.406
  409    HA   GLU  49           HA       GLU  49   2.168 -31.283  10.618
  410    HB2  GLU  49           HB2      GLU  49   3.242 -28.897   9.120
  411    HB3  GLU  49           HB1      GLU  49   4.326 -30.086   9.840
  412    HG2  GLU  49           HG2      GLU  49   4.024 -30.852   7.623
  413    HG3  GLU  49           HG1      GLU  49   2.926 -31.856   8.564
  414    H    LEU  50           HN       LEU  50   2.056 -27.855  11.382
  415    HA   LEU  50           HA       LEU  50   4.001 -27.860  13.400
  416    HB2  LEU  50           HB2      LEU  50   3.024 -25.827  12.347
  417    HB3  LEU  50           HB1      LEU  50   1.548 -26.097  13.269
  418    HG   LEU  50           HG       LEU  50   2.872 -25.968  15.359
  419   HD11  LEU  50          HD11      LEU  50   5.078 -26.539  14.966
  420   HD12  LEU  50          HD12      LEU  50   5.235 -24.787  14.899
  421   HD13  LEU  50          HD13      LEU  50   5.124 -25.718  13.405
  422   HD21  LEU  50          HD21      LEU  50   3.441 -23.522  13.691
  423   HD22  LEU  50          HD22      LEU  50   3.014 -23.604  15.399
  424   HD23  LEU  50          HD23      LEU  50   1.805 -23.954  14.169
  425    H    MET  51           HN       MET  51   0.547 -28.537  13.446
  426    HA   MET  51           HA       MET  51   0.065 -28.590  16.175
  427    HB2  MET  51           HB2      MET  51  -1.719 -28.848  14.523
  428    HB3  MET  51           HB1      MET  51  -1.056 -30.407  14.029
  429    HG2  MET  51           HG2      MET  51  -1.757 -29.964  16.921
  430    HG3  MET  51           HG1      MET  51  -3.034 -30.330  15.760
  431    HE1  MET  51           HE1      MET  51  -3.064 -33.821  16.837
  432    HE2  MET  51           HE2      MET  51  -3.764 -32.873  15.527
  433    HE3  MET  51           HE3      MET  51  -3.639 -32.176  17.140
  434    H    GLU  52           HN       GLU  52   1.339 -31.172  14.089
  435    HA   GLU  52           HA       GLU  52   1.555 -33.097  16.187
  436    HB2  GLU  52           HB2      GLU  52   1.513 -33.570  13.686
  437    HB3  GLU  52           HB1      GLU  52   3.193 -33.031  13.654
  438    HG2  GLU  52           HG2      GLU  52   3.259 -35.403  13.905
  439    HG3  GLU  52           HG1      GLU  52   3.657 -34.723  15.482
  440    H    LEU  53           HN       LEU  53   3.828 -30.827  14.684
  441    HA   LEU  53           HA       LEU  53   6.138 -31.655  16.061
  442    HB2  LEU  53           HB2      LEU  53   5.363 -28.952  14.953
  443    HB3  LEU  53           HB1      LEU  53   6.978 -29.351  15.541
  444    HG   LEU  53           HG       LEU  53   5.538 -30.893  13.362
  445   HD11  LEU  53          HD11      LEU  53   7.538 -28.629  13.199
  446   HD12  LEU  53          HD12      LEU  53   5.940 -28.722  12.460
  447   HD13  LEU  53          HD13      LEU  53   7.246 -29.741  11.861
  448   HD21  LEU  53          HD21      LEU  53   7.164 -32.374  14.135
  449   HD22  LEU  53          HD22      LEU  53   8.251 -31.086  14.652
  450   HD23  LEU  53          HD23      LEU  53   8.106 -31.484  12.940
  451    H    ILE  54           HN       ILE  54   3.595 -29.357  16.919
  452    HA   ILE  54           HA       ILE  54   4.850 -28.282  19.193
  453    HB   ILE  54           HB       ILE  54   1.947 -28.623  18.486
  454   HG12  ILE  54          HG12      ILE  54   3.658 -27.056  17.215
  455   HG13  ILE  54          HG11      ILE  54   2.066 -26.468  17.633
  456   HG21  ILE  54          HG21      ILE  54   1.945 -28.453  20.855
  457   HG22  ILE  54          HG22      ILE  54   1.651 -26.809  20.287
  458   HG23  ILE  54          HG23      ILE  54   3.253 -27.278  20.855
  459   HD11  ILE  54          HD11      ILE  54   2.856 -25.166  19.421
  460   HD12  ILE  54          HD12      ILE  54   4.096 -24.943  18.185
  461   HD13  ILE  54          HD13      ILE  54   4.374 -26.057  19.525
  462    H    ASP  55           HN       ASP  55   2.643 -31.055  18.839
  463    HA   ASP  55           HA       ASP  55   2.417 -31.658  21.574
  464    HB2  ASP  55           HB2      ASP  55   0.911 -32.565  19.857
  465    HB3  ASP  55           HB1      ASP  55   2.240 -33.508  19.184
  466    H    LEU  56           HN       LEU  56   4.578 -32.958  19.075
  467    HA   LEU  56           HA       LEU  56   5.954 -34.721  20.776
  468    HB2  LEU  56           HB2      LEU  56   6.479 -33.511  18.093
  469    HB3  LEU  56           HB1      LEU  56   7.798 -34.354  18.898
  470    HG   LEU  56           HG       LEU  56   6.354 -35.764  17.327
  471   HD11  LEU  56          HD11      LEU  56   6.163 -36.929  20.101
  472   HD12  LEU  56          HD12      LEU  56   7.759 -36.553  19.455
  473   HD13  LEU  56          HD13      LEU  56   6.711 -37.685  18.606
  474   HD21  LEU  56          HD21      LEU  56   4.201 -34.659  18.250
  475   HD22  LEU  56          HD22      LEU  56   4.343 -35.790  19.587
  476   HD23  LEU  56          HD23      LEU  56   4.158 -36.388  17.940
  477    H    TYR  57           HN       TYR  57   6.607 -31.393  19.844
  478    HA   TYR  57           HA       TYR  57   9.073 -31.229  21.263
  479    HB2  TYR  57           HB2      TYR  57   7.195 -29.245  20.010
  480    HB3  TYR  57           HB1      TYR  57   8.515 -28.677  21.029
  481    HD1  TYR  57           HD2      TYR  57   8.249 -31.495  18.525
  482    HD2  TYR  57           HD1      TYR  57  10.252 -27.873  19.689
  483    HE1  TYR  57           HE2      TYR  57   9.836 -31.778  16.661
  484    HE2  TYR  57           HE1      TYR  57  11.842 -28.165  17.812
  485    HH   TYR  57           HH       TYR  57  12.478 -30.803  16.341
  486    H    GLU  58           HN       GLU  58   5.729 -30.381  22.008
  487    HA   GLU  58           HA       GLU  58   6.323 -29.227  24.547
  488    HB2  GLU  58           HB2      GLU  58   3.767 -30.222  23.295
  489    HB3  GLU  58           HB1      GLU  58   3.828 -29.550  24.922
  490    HG2  GLU  58           HG2      GLU  58   4.898 -28.084  22.497
  491    HG3  GLU  58           HG1      GLU  58   3.257 -27.874  23.106
  492    H    GLU  59           HN       GLU  59   5.903 -32.446  23.398
  493    HA   GLU  59           HA       GLU  59   5.400 -33.543  26.053
  494    HB2  GLU  59           HB2      GLU  59   4.326 -34.506  24.024
  495    HB3  GLU  59           HB1      GLU  59   5.924 -34.996  23.460
  496    HG2  GLU  59           HG2      GLU  59   6.237 -36.447  25.353
  497    HG3  GLU  59           HG1      GLU  59   4.799 -35.814  26.151
  498    H    SER  60           HN       SER  60   8.089 -32.675  24.142
  499    HA   SER  60           HA       SER  60   9.958 -34.655  24.718
  500    HB2  SER  60           HB2      SER  60  10.580 -32.980  23.168
  501    HB3  SER  60           HB1      SER  60  10.227 -31.687  24.309
  502    HG   SER  60           HG       SER  60  11.999 -32.269  25.502
  503    H    GLN  61           HN       GLN  61   9.607 -31.561  26.479
  504    HA   GLN  61           HA       GLN  61  10.789 -32.863  28.861
  505    HB2  GLN  61           HB2      GLN  61  11.540 -30.495  27.538
  506    HB3  GLN  61           HB1      GLN  61  10.751 -29.954  29.014
  507    HG2  GLN  61           HG2      GLN  61  13.080 -30.256  29.513
  508    HG3  GLN  61           HG1      GLN  61  12.206 -31.580  30.281
  509   HE21  GLN  61          HE21      GLN  61  13.422 -31.035  26.919
  510   HE22  GLN  61          HE22      GLN  61  14.227 -32.526  26.823
  511    HA   PRO  62           HA       PRO  62   7.004 -30.675  30.525
  512    HB2  PRO  62           HB2      PRO  62   5.564 -28.989  28.939
  513    HB3  PRO  62           HB1      PRO  62   7.097 -28.508  29.685
  514    HG2  PRO  62           HG2      PRO  62   6.503 -29.079  26.861
  515    HG3  PRO  62           HG1      PRO  62   7.841 -28.163  27.560
  516    HD2  PRO  62           HD2      PRO  62   7.878 -30.929  26.648
  517    HD3  PRO  62           HD1      PRO  62   9.211 -29.960  27.273
  518    H    SER  63           HN       SER  63   6.498 -33.025  30.111
  519    HA   SER  63           HA       SER  63   4.529 -33.749  28.177
  520    HB2  SER  63           HB2      SER  63   5.287 -35.166  30.735
  521    HB3  SER  63           HB1      SER  63   4.423 -35.859  29.366
  522    HG   SER  63           HG       SER  63   6.989 -34.676  29.156
  523    H    SER  64           HN       SER  64   4.440 -32.944  31.631
  524    HA   SER  64           HA       SER  64   1.482 -32.738  31.448
  525    HB2  SER  64           HB2      SER  64   1.412 -33.290  33.832
  526    HB3  SER  64           HB1      SER  64   2.210 -34.568  32.920
  527    HG   SER  64           HG       SER  64   3.525 -34.152  34.622
  528    H    GLU  65           HN       GLU  65   4.122 -30.890  31.392
  529    HA   GLU  65           HA       GLU  65   3.339 -28.920  33.403
  530    HB2  GLU  65           HB2      GLU  65   5.583 -29.025  31.382
  531    HB3  GLU  65           HB1      GLU  65   5.313 -27.665  32.471
  532    HG2  GLU  65           HG2      GLU  65   5.582 -29.104  34.412
  533    HG3  GLU  65           HG1      GLU  65   5.703 -30.529  33.383
  534    H    ARG  66           HN       ARG  66   4.517 -27.974  30.274
  535    HA   ARG  66           HA       ARG  66   2.553 -25.947  29.974
  536    HB2  ARG  66           HB2      ARG  66   4.428 -27.088  27.894
  537    HB3  ARG  66           HB1      ARG  66   3.593 -25.538  27.808
  538    HG2  ARG  66           HG2      ARG  66   5.461 -26.222  30.083
  539    HG3  ARG  66           HG1      ARG  66   6.038 -25.481  28.593
  540    HD2  ARG  66           HD2      ARG  66   4.365 -23.634  28.948
  541    HD3  ARG  66           HD1      ARG  66   3.990 -24.335  30.517
  542    HE   ARG  66           HE       ARG  66   6.432 -22.927  29.785
  543   HH11  ARG  66          HH21      ARG  66   4.746 -24.987  32.005
  544   HH12  ARG  66          HH22      ARG  66   5.799 -24.640  33.335
  545   HH21  ARG  66          HH11      ARG  66   7.809 -22.472  31.523
  546   HH22  ARG  66          HH12      ARG  66   7.535 -23.217  33.061
  547    H    LEU  67           HN       LEU  67   2.500 -29.261  29.292
  548    HA   LEU  67           HA       LEU  67   1.049 -29.542  26.994
  549    HB2  LEU  67           HB2      LEU  67   1.804 -31.314  28.720
  550    HB3  LEU  67           HB1      LEU  67   0.236 -31.033  29.475
  551    HG   LEU  67           HG       LEU  67  -0.617 -31.325  26.928
  552   HD11  LEU  67          HD11      LEU  67   1.845 -33.092  27.060
  553   HD12  LEU  67          HD12      LEU  67   1.718 -31.623  26.094
  554   HD13  LEU  67          HD13      LEU  67   0.682 -33.004  25.736
  555   HD21  LEU  67          HD21      LEU  67   0.113 -33.639  28.755
  556   HD22  LEU  67          HD22      LEU  67  -1.059 -33.703  27.439
  557   HD23  LEU  67          HD23      LEU  67  -1.364 -32.682  28.843
  558    H    ASN  68           HN       ASN  68  -0.006 -28.238  30.055
  559    HA   ASN  68           HA       ASN  68  -2.809 -28.347  29.588
  560    HB2  ASN  68           HB2      ASN  68  -1.869 -28.021  31.828
  561    HB3  ASN  68           HB1      ASN  68  -1.209 -26.464  31.332
  562   HD21  ASN  68          HD21      ASN  68  -4.186 -28.169  32.165
  563   HD22  ASN  68          HD22      ASN  68  -5.172 -26.788  32.219
  564    H    ALA  69           HN       ALA  69  -0.311 -25.938  28.913
  565    HA   ALA  69           HA       ALA  69  -2.216 -24.030  27.833
  566    HB1  ALA  69           HB1      ALA  69  -0.300 -22.627  27.435
  567    HB2  ALA  69           HB2      ALA  69   0.802 -23.980  27.687
  568    HB3  ALA  69           HB3      ALA  69  -0.134 -23.343  29.039
  569    H    PHE  70           HN       PHE  70  -0.373 -26.687  26.701
  570    HA   PHE  70           HA       PHE  70   0.102 -25.960  24.042
  571    HB2  PHE  70           HB2      PHE  70   1.132 -27.970  24.669
  572    HB3  PHE  70           HB1      PHE  70  -0.323 -28.575  25.446
  573    HD1  PHE  70           HD2      PHE  70   0.073 -27.104  22.045
  574    HD2  PHE  70           HD1      PHE  70  -0.793 -30.620  24.350
  575    HE1  PHE  70           HE2      PHE  70  -0.577 -28.294  19.979
  576    HE2  PHE  70           HE1      PHE  70  -1.452 -31.813  22.277
  577    HZ   PHE  70           HZ       PHE  70  -1.342 -30.648  20.090
  578    H    ARG  71           HN       ARG  71  -2.729 -27.499  25.539
  579    HA   ARG  71           HA       ARG  71  -4.214 -27.902  23.212
  580    HB2  ARG  71           HB2      ARG  71  -5.118 -27.329  26.032
  581    HB3  ARG  71           HB1      ARG  71  -6.193 -27.846  24.732
  582    HG2  ARG  71           HG2      ARG  71  -3.721 -29.476  25.286
  583    HG3  ARG  71           HG1      ARG  71  -5.102 -29.642  26.368
  584    HD2  ARG  71           HD2      ARG  71  -5.179 -30.004  23.356
  585    HD3  ARG  71           HD1      ARG  71  -5.198 -31.302  24.547
  586    HE   ARG  71           HE       ARG  71  -7.305 -29.632  25.220
  587   HH11  ARG  71          HH21      ARG  71  -6.264 -31.474  22.487
  588   HH12  ARG  71          HH22      ARG  71  -7.867 -31.811  21.927
  589   HH21  ARG  71          HH11      ARG  71  -9.413 -30.064  24.493
  590   HH22  ARG  71          HH12      ARG  71  -9.652 -31.013  23.064
  591    H    GLU  72           HN       GLU  72  -3.823 -25.073  25.259
  592    HA   GLU  72           HA       GLU  72  -5.894 -23.499  24.197
  593    HB2  GLU  72           HB2      GLU  72  -4.219 -23.097  26.217
  594    HB3  GLU  72           HB1      GLU  72  -3.280 -22.241  24.995
  595    HG2  GLU  72           HG2      GLU  72  -6.179 -21.705  25.702
  596    HG3  GLU  72           HG1      GLU  72  -4.805 -20.696  26.151
  597    H    LEU  73           HN       LEU  73  -2.461 -23.732  23.294
  598    HA   LEU  73           HA       LEU  73  -2.683 -21.964  21.072
  599    HB2  LEU  73           HB2      LEU  73  -0.524 -22.415  22.145
  600    HB3  LEU  73           HB1      LEU  73  -0.623 -24.107  21.661
  601    HG   LEU  73           HG       LEU  73  -0.616 -23.442  19.283
  602   HD11  LEU  73          HD11      LEU  73  -1.608 -21.339  19.111
  603   HD12  LEU  73          HD12      LEU  73   0.092 -20.910  18.946
  604   HD13  LEU  73          HD13      LEU  73  -0.726 -20.687  20.493
  605   HD21  LEU  73          HD21      LEU  73   1.688 -22.930  19.146
  606   HD22  LEU  73          HD22      LEU  73   1.523 -23.745  20.701
  607   HD23  LEU  73          HD23      LEU  73   1.658 -21.988  20.636
  608    H    ARG  74           HN       ARG  74  -2.949 -25.443  21.494
  609    HA   ARG  74           HA       ARG  74  -2.923 -26.295  18.850
  610    HB2  ARG  74           HB2      ARG  74  -3.022 -27.801  20.830
  611    HB3  ARG  74           HB1      ARG  74  -4.705 -27.331  21.057
  612    HG2  ARG  74           HG2      ARG  74  -5.304 -28.218  18.879
  613    HG3  ARG  74           HG1      ARG  74  -3.619 -28.614  18.539
  614    HD2  ARG  74           HD2      ARG  74  -3.658 -30.107  20.574
  615    HD3  ARG  74           HD1      ARG  74  -5.391 -29.810  20.682
  616    HE   ARG  74           HE       ARG  74  -4.584 -30.748  18.079
  617   HH11  ARG  74          HH21      ARG  74  -5.397 -31.624  21.323
  618   HH12  ARG  74          HH22      ARG  74  -5.908 -33.227  20.911
  619   HH21  ARG  74          HH11      ARG  74  -5.253 -32.852  17.528
  620   HH22  ARG  74          HH12      ARG  74  -5.824 -33.923  18.763
  621    H    THR  75           HN       THR  75  -5.639 -25.056  20.783
  622    HA   THR  75           HA       THR  75  -7.761 -25.448  19.110
  623    HB   THR  75           HB       THR  75  -7.523 -24.106  21.373
  624    HG1  THR  75           HG1      THR  75  -9.597 -23.708  21.099
  625   HG21  THR  75          HG21      THR  75  -6.254 -22.235  20.136
  626   HG22  THR  75          HG22      THR  75  -7.562 -21.741  21.200
  627   HG23  THR  75          HG23      THR  75  -7.815 -21.792  19.454
  628    H    GLN  76           HN       GLN  76  -5.223 -23.006  18.796
  629    HA   GLN  76           HA       GLN  76  -6.377 -21.626  16.614
  630    HB2  GLN  76           HB2      GLN  76  -4.608 -20.688  18.063
  631    HB3  GLN  76           HB1      GLN  76  -3.469 -21.864  17.413
  632    HG2  GLN  76           HG2      GLN  76  -3.199 -19.755  16.227
  633    HG3  GLN  76           HG1      GLN  76  -3.878 -20.944  15.123
  634   HE21  GLN  76          HE21      GLN  76  -5.102 -19.503  13.785
  635   HE22  GLN  76          HE22      GLN  76  -6.384 -18.562  14.378
  636    H    LEU  77           HN       LEU  77  -3.862 -24.125  16.812
  637    HA   LEU  77           HA       LEU  77  -3.432 -24.350  14.028
  638    HB2  LEU  77           HB2      LEU  77  -3.106 -26.548  16.079
  639    HB3  LEU  77           HB1      LEU  77  -2.258 -26.378  14.542
  640    HG   LEU  77           HG       LEU  77  -2.042 -24.451  16.871
  641   HD11  LEU  77          HD11      LEU  77   0.102 -26.280  15.835
  642   HD12  LEU  77          HD12      LEU  77  -1.000 -26.759  17.129
  643   HD13  LEU  77          HD13      LEU  77   0.062 -25.370  17.344
  644   HD21  LEU  77          HD21      LEU  77  -0.054 -23.651  15.468
  645   HD22  LEU  77          HD22      LEU  77  -1.654 -23.204  14.893
  646   HD23  LEU  77          HD23      LEU  77  -0.787 -24.540  14.130
  647    H    GLU  78           HN       GLU  78  -5.596 -26.039  16.257
  648    HA   GLU  78           HA       GLU  78  -6.624 -27.860  14.324
  649    HB2  GLU  78           HB2      GLU  78  -6.747 -28.216  16.784
  650    HB3  GLU  78           HB1      GLU  78  -7.910 -26.893  16.889
  651    HG2  GLU  78           HG2      GLU  78  -9.438 -28.096  15.381
  652    HG3  GLU  78           HG1      GLU  78  -8.272 -29.409  15.235
  653    H    LYS  79           HN       LYS  79  -7.757 -24.741  15.607
  654    HA   LYS  79           HA       LYS  79 -10.182 -24.672  14.151
  655    HB2  LYS  79           HB2      LYS  79  -8.472 -22.524  15.405
  656    HB3  LYS  79           HB1      LYS  79  -9.999 -22.171  14.602
  657    HG2  LYS  79           HG2      LYS  79  -9.944 -24.349  16.683
  658    HG3  LYS  79           HG1      LYS  79  -9.937 -22.671  17.219
  659    HD2  LYS  79           HD2      LYS  79 -11.944 -23.504  15.134
  660    HD3  LYS  79           HD1      LYS  79 -12.238 -23.950  16.814
  661    HE2  LYS  79           HE2      LYS  79 -12.101 -21.621  17.506
  662    HE3  LYS  79           HE1      LYS  79 -11.660 -21.128  15.871
  663    HZ1  LYS  79           HZ1      LYS  79 -13.861 -22.339  15.272
  664    HZ2  LYS  79           HZ2      LYS  79 -13.900 -20.750  15.871
  665    HZ3  LYS  79           HZ3      LYS  79 -14.245 -22.059  16.899
  666    H    ALA  80           HN       ALA  80  -6.974 -23.293  13.549
  667    HA   ALA  80           HA       ALA  80  -7.643 -22.035  11.121
  668    HB1  ALA  80           HB1      ALA  80  -5.148 -22.144  10.696
  669    HB2  ALA  80           HB2      ALA  80  -5.016 -23.017  12.226
  670    HB3  ALA  80           HB3      ALA  80  -5.629 -21.365  12.203
  671    H    LEU  81           HN       LEU  81  -7.010 -25.310  11.956
  672    HA   LEU  81           HA       LEU  81  -6.179 -26.283   9.448
  673    HB2  LEU  81           HB2      LEU  81  -6.507 -27.393  11.942
  674    HB3  LEU  81           HB1      LEU  81  -7.844 -28.130  11.071
  675    HG   LEU  81           HG       LEU  81  -4.947 -28.139  10.169
  676   HD11  LEU  81          HD11      LEU  81  -4.857 -30.411  10.860
  677   HD12  LEU  81          HD12      LEU  81  -6.605 -30.497  11.080
  678   HD13  LEU  81          HD13      LEU  81  -5.619 -29.563  12.206
  679   HD21  LEU  81          HD21      LEU  81  -5.929 -29.914   8.573
  680   HD22  LEU  81          HD22      LEU  81  -6.312 -28.230   8.217
  681   HD23  LEU  81          HD23      LEU  81  -7.508 -29.258   9.007
  682    H    GLY  82           HN       GLY  82  -9.115 -24.982  10.436
  683    HA2  GLY  82           HA2      GLY  82 -10.977 -26.522   8.992
  684    HA3  GLY  82           HA1      GLY  82 -11.190 -24.838   9.461
  685    H    LEU  83           HN       LEU  83  -8.575 -24.274   7.992
  686    HA   LEU  83           HA       LEU  83  -7.982 -23.419   5.949
  687    HB2  LEU  83           HB2      LEU  83  -9.533 -25.868   5.094
  688    HB3  LEU  83           HB1      LEU  83  -8.613 -24.865   3.976
  689    HG   LEU  83           HG       LEU  83  -7.240 -25.876   6.463
  690   HD11  LEU  83          HD11      LEU  83  -6.558 -27.922   5.195
  691   HD12  LEU  83          HD12      LEU  83  -7.743 -27.509   3.956
  692   HD13  LEU  83          HD13      LEU  83  -8.277 -27.897   5.592
  693   HD21  LEU  83          HD21      LEU  83  -6.142 -25.695   3.649
  694   HD22  LEU  83          HD22      LEU  83  -5.272 -25.603   5.180
  695   HD23  LEU  83          HD23      LEU  83  -6.279 -24.255   4.653
  696    H    GLU  84           HN       GLU  84 -10.096 -22.109   7.092
  697    HA   GLU  84           HA       GLU  84 -12.388 -21.885   5.465
  698    HB2  GLU  84           HB2      GLU  84 -11.085 -19.864   7.308
  699    HB3  GLU  84           HB1      GLU  84 -12.698 -19.696   6.615
  700    HG2  GLU  84           HG2      GLU  84 -11.834 -22.057   8.306
  701    HG3  GLU  84           HG1      GLU  84 -12.671 -20.648   8.951
  702    H    HIS  85           HN       HIS  85 -12.579 -21.117   3.475
  703    HA   HIS  85           HA       HIS  85 -10.382 -19.788   2.171
  704    HB2  HIS  85           HB2      HIS  85 -13.202 -20.362   1.229
  705    HB3  HIS  85           HB1      HIS  85 -11.892 -19.761   0.211
  706    HD2  HIS  85           HD2      HIS  85 -13.144 -23.121   1.687
  707    HE1  HIS  85           HE1      HIS  85  -9.431 -23.891  -0.169
  708    HE2  HIS  85           HE2      HIS  85 -11.469 -24.964   0.901
  709    H    HIS  86           HN       HIS  86 -10.131 -17.664   1.757
  710    HA   HIS  86           HA       HIS  86 -12.307 -15.809   2.554
  711    HB2  HIS  86           HB2      HIS  86  -9.321 -15.439   2.901
  712    HB3  HIS  86           HB1      HIS  86 -10.556 -14.242   3.292
  713    HD2  HIS  86           HD2      HIS  86  -8.749 -17.097   5.041
  714    HE1  HIS  86           HE1      HIS  86 -12.310 -16.510   7.232
  715    HE2  HIS  86           HE2      HIS  86 -10.042 -17.653   7.240
  716    H    HIS  87           HN       HIS  87  -9.716 -16.569   0.304
  717    HA   HIS  87           HA       HIS  87 -10.110 -14.145  -1.249
  718    HB2  HIS  87           HB2      HIS  87  -7.885 -15.312  -1.033
  719    HB3  HIS  87           HB1      HIS  87  -8.546 -16.617  -2.019
  720    HD2  HIS  87           HD2      HIS  87  -8.227 -16.160  -4.727
  721    HE1  HIS  87           HE1      HIS  87  -7.707 -11.973  -4.575
  722    HE2  HIS  87           HE2      HIS  87  -7.728 -13.998  -6.106
  723    H    HIS  88           HN       HIS  88  -9.602 -16.451  -3.497
  724    HA   HIS  88           HA       HIS  88 -12.355 -17.289  -3.919
  725    HB2  HIS  88           HB2      HIS  88 -12.314 -14.991  -4.831
  726    HB3  HIS  88           HB1      HIS  88 -10.995 -15.455  -5.905
  727    HD2  HIS  88           HD2      HIS  88 -14.863 -15.860  -5.653
  728    HE1  HIS  88           HE1      HIS  88 -13.587 -17.964  -9.083
  729    HE2  HIS  88           HE2      HIS  88 -15.618 -17.125  -7.808
  730    H    HIS  89           HN       HIS  89 -12.554 -18.558  -5.966
  731    HA   HIS  89           HA       HIS  89 -10.386 -20.462  -6.112
  732    HB2  HIS  89           HB2      HIS  89 -12.752 -21.168  -6.099
  733    HB3  HIS  89           HB1      HIS  89 -13.001 -20.327  -7.628
  734    HD2  HIS  89           HD2      HIS  89 -11.058 -23.504  -6.302
  735    HE1  HIS  89           HE1      HIS  89 -11.234 -23.686 -10.516
  736    HE2  HIS  89           HE2      HIS  89 -10.550 -24.944  -8.419
  737    H    HIS  90           HN       HIS  90  -8.913 -20.711  -7.726
  738    HA   HIS  90           HA       HIS  90  -9.300 -19.642 -10.362
  739    HB2  HIS  90           HB2      HIS  90  -8.716 -17.556  -9.243
  740    HB3  HIS  90           HB1      HIS  90  -7.268 -18.298  -8.568
  741    HD2  HIS  90           HD2      HIS  90  -5.056 -18.155 -10.244
  742    HE1  HIS  90           HE1      HIS  90  -7.087 -17.076 -13.784
  743    HE2  HIS  90           HE2      HIS  90  -4.800 -17.448 -12.744
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  -5.155 -13.445  24.871
    2    H2   MET   1           HT2      MET   1  -3.612 -13.941  24.361
    3    H3   MET   1           HT3      MET   1  -4.386 -14.744  25.643
    4    HA   MET   1           HA       MET   1  -4.530 -16.085  23.668
    5    HB2  MET   1           HB2      MET   1  -7.224 -14.797  24.148
    6    HB3  MET   1           HB1      MET   1  -6.886 -16.475  23.720
    7    HG2  MET   1           HG2      MET   1  -7.291 -16.603  26.031
    8    HG3  MET   1           HG1      MET   1  -5.531 -16.524  25.956
    9    HE1  MET   1           HE1      MET   1  -8.525 -13.238  26.924
   10    HE2  MET   1           HE2      MET   1  -8.651 -14.813  27.706
   11    HE3  MET   1           HE3      MET   1  -8.721 -14.702  25.950
   12    H    GLY   2           HN       GLY   2  -3.819 -15.676  21.660
   13    HA2  GLY   2           HA2      GLY   2  -5.491 -14.460  19.721
   14    HA3  GLY   2           HA1      GLY   2  -4.199 -13.348  20.168
   15    H    VAL   3           HN       VAL   3  -3.995 -13.901  17.675
   16    HA   VAL   3           HA       VAL   3  -2.806 -16.348  16.902
   17    HB   VAL   3           HB       VAL   3  -2.612 -13.591  15.666
   18   HG11  VAL   3          HG11      VAL   3  -0.782 -14.863  14.806
   19   HG12  VAL   3          HG12      VAL   3  -2.056 -14.984  13.593
   20   HG13  VAL   3          HG13      VAL   3  -1.759 -16.326  14.696
   21   HG21  VAL   3          HG21      VAL   3  -4.898 -14.612  15.862
   22   HG22  VAL   3          HG22      VAL   3  -4.313 -15.991  14.932
   23   HG23  VAL   3          HG23      VAL   3  -4.374 -14.393  14.192
   24    H    TRP   4           HN       TRP   4  -1.415 -13.219  17.836
   25    HA   TRP   4           HA       TRP   4   1.302 -14.160  17.579
   26    HB2  TRP   4           HB2      TRP   4   1.826 -11.938  18.651
   27    HB3  TRP   4           HB1      TRP   4   0.889 -11.832  17.160
   28    HD1  TRP   4           HD1      TRP   4  -1.564 -10.958  17.299
   29    HE1  TRP   4           HE1      TRP   4  -2.962  -9.890  19.184
   30    HE3  TRP   4           HE3      TRP   4   1.440 -11.968  21.301
   31    HZ2  TRP   4           HZ2      TRP   4  -2.821  -9.512  22.017
   32    HZ3  TRP   4           HZ3      TRP   4   0.786 -11.243  23.579
   33    HH2  TRP   4           HH2      TRP   4  -1.339 -10.019  23.941
   34    H    THR   5           HN       THR   5   2.559 -15.025  19.102
   35    HA   THR   5           HA       THR   5   2.240 -14.616  21.897
   36    HB   THR   5           HB       THR   5   0.386 -16.089  21.821
   37    HG1  THR   5           HG1      THR   5   1.953 -18.158  22.398
   38   HG21  THR   5          HG21      THR   5   0.706 -18.387  20.713
   39   HG22  THR   5          HG22      THR   5   2.102 -17.669  19.910
   40   HG23  THR   5          HG23      THR   5   0.493 -17.001  19.642
   41    HA   PRO   6           HA       PRO   6   6.199 -16.509  19.951
   42    HB2  PRO   6           HB2      PRO   6   7.712 -14.197  20.084
   43    HB3  PRO   6           HB1      PRO   6   6.783 -14.693  18.651
   44    HG2  PRO   6           HG2      PRO   6   6.018 -12.781  20.819
   45    HG3  PRO   6           HG1      PRO   6   5.859 -12.604  19.064
   46    HD2  PRO   6           HD2      PRO   6   3.740 -13.291  20.549
   47    HD3  PRO   6           HD1      PRO   6   4.010 -14.033  18.954
   48    H    GLU   7           HN       GLU   7   8.502 -16.110  21.070
   49    HA   GLU   7           HA       GLU   7   8.510 -17.121  23.599
   50    HB2  GLU   7           HB2      GLU   7  10.450 -15.135  22.392
   51    HB3  GLU   7           HB1      GLU   7  10.745 -16.003  23.899
   52    HG2  GLU   7           HG2      GLU   7  10.543 -18.147  22.733
   53    HG3  GLU   7           HG1      GLU   7  10.175 -17.310  21.227
   54    H    VAL   8           HN       VAL   8   7.521 -13.958  22.675
   55    HA   VAL   8           HA       VAL   8   8.040 -12.485  25.012
   56    HB   VAL   8           HB       VAL   8   5.710 -12.299  23.082
   57   HG11  VAL   8          HG11      VAL   8   5.652  -9.910  23.923
   58   HG12  VAL   8          HG12      VAL   8   6.730 -10.422  25.222
   59   HG13  VAL   8          HG13      VAL   8   5.116 -11.123  25.085
   60   HG21  VAL   8          HG21      VAL   8   8.050 -12.054  22.144
   61   HG22  VAL   8          HG22      VAL   8   8.254 -10.659  23.203
   62   HG23  VAL   8          HG23      VAL   8   7.025 -10.635  21.938
   63    H    LEU   9           HN       LEU   9   5.175 -14.397  24.064
   64    HA   LEU   9           HA       LEU   9   3.784 -13.992  26.504
   65    HB2  LEU   9           HB2      LEU   9   2.984 -14.942  24.150
   66    HB3  LEU   9           HB1      LEU   9   3.381 -16.495  24.888
   67    HG   LEU   9           HG       LEU   9   1.516 -14.413  26.063
   68   HD11  LEU   9          HD11      LEU   9  -0.254 -16.036  25.549
   69   HD12  LEU   9          HD12      LEU   9   0.933 -17.107  24.807
   70   HD13  LEU   9          HD13      LEU   9   0.587 -15.537  24.083
   71   HD21  LEU   9          HD21      LEU   9   2.595 -17.035  27.071
   72   HD22  LEU   9          HD22      LEU   9   0.953 -16.558  27.517
   73   HD23  LEU   9          HD23      LEU   9   2.316 -15.528  27.942
   74    H    LYS  10           HN       LYS  10   5.988 -16.502  25.338
   75    HA   LYS  10           HA       LYS  10   5.768 -18.304  27.465
   76    HB2  LYS  10           HB2      LYS  10   6.998 -18.795  25.366
   77    HB3  LYS  10           HB1      LYS  10   8.253 -17.661  25.856
   78    HG2  LYS  10           HG2      LYS  10   8.760 -18.987  27.817
   79    HG3  LYS  10           HG1      LYS  10   7.431 -20.090  27.453
   80    HD2  LYS  10           HD2      LYS  10   8.498 -20.882  25.469
   81    HD3  LYS  10           HD1      LYS  10   9.689 -19.579  25.505
   82    HE2  LYS  10           HE2      LYS  10  10.710 -21.624  26.319
   83    HE3  LYS  10           HE1      LYS  10  10.556 -20.466  27.636
   84    HZ1  LYS  10           HZ1      LYS  10   9.573 -23.055  27.555
   85    HZ2  LYS  10           HZ2      LYS  10   8.216 -22.038  27.457
   86    HZ3  LYS  10           HZ3      LYS  10   9.300 -21.887  28.756
   87    H    ALA  11           HN       ALA  11   7.819 -15.444  27.069
   88    HA   ALA  11           HA       ALA  11   9.306 -15.731  29.448
   89    HB1  ALA  11           HB1      ALA  11   9.787 -13.337  29.203
   90    HB2  ALA  11           HB2      ALA  11   8.484 -13.186  28.025
   91    HB3  ALA  11           HB3      ALA  11   9.909 -14.153  27.644
   92    H    ARG  12           HN       ARG  12   6.237 -14.093  28.754
   93    HA   ARG  12           HA       ARG  12   5.858 -13.031  31.356
   94    HB2  ARG  12           HB2      ARG  12   3.946 -13.683  29.107
   95    HB3  ARG  12           HB1      ARG  12   3.433 -12.908  30.605
   96    HG2  ARG  12           HG2      ARG  12   5.746 -11.746  29.060
   97    HG3  ARG  12           HG1      ARG  12   4.099 -11.420  28.526
   98    HD2  ARG  12           HD2      ARG  12   3.536 -10.499  30.721
   99    HD3  ARG  12           HD1      ARG  12   5.140 -10.888  31.328
  100    HE   ARG  12           HE       ARG  12   5.422  -9.270  29.046
  101   HH11  ARG  12          HH21      ARG  12   4.236  -9.193  32.294
  102   HH12  ARG  12          HH22      ARG  12   4.556  -7.506  32.518
  103   HH21  ARG  12          HH11      ARG  12   5.846  -7.059  29.329
  104   HH22  ARG  12          HH12      ARG  12   5.468  -6.298  30.839
  105    H    ALA  13           HN       ALA  13   4.803 -16.019  29.790
  106    HA   ALA  13           HA       ALA  13   3.282 -16.971  32.002
  107    HB1  ALA  13           HB1      ALA  13   2.991 -17.807  29.686
  108    HB2  ALA  13           HB2      ALA  13   3.300 -19.112  30.830
  109    HB3  ALA  13           HB3      ALA  13   4.590 -18.546  29.770
  110    H    SER  14           HN       SER  14   6.614 -17.410  30.924
  111    HA   SER  14           HA       SER  14   7.255 -19.190  33.133
  112    HB2  SER  14           HB2      SER  14   8.313 -19.516  30.930
  113    HB3  SER  14           HB1      SER  14   9.043 -17.916  31.046
  114    HG   SER  14           HG       SER  14   9.410 -20.044  32.895
  115    H    VAL  15           HN       VAL  15   6.835 -15.929  32.796
  116    HA   VAL  15           HA       VAL  15   7.372 -14.111  34.086
  117    HB   VAL  15           HB       VAL  15   8.532 -16.053  36.083
  118   HG11  VAL  15          HG11      VAL  15   7.964 -14.384  37.683
  119   HG12  VAL  15          HG12      VAL  15   6.931 -13.528  36.538
  120   HG13  VAL  15          HG13      VAL  15   8.681 -13.499  36.338
  121   HG21  VAL  15          HG21      VAL  15   5.629 -15.360  35.536
  122   HG22  VAL  15          HG22      VAL  15   6.193 -16.173  36.996
  123   HG23  VAL  15          HG23      VAL  15   6.371 -16.956  35.427
  124    H    ILE  16           HN       ILE  16  10.011 -16.358  34.936
  125    HA   ILE  16           HA       ILE  16  11.964 -14.278  34.179
  126    HB   ILE  16           HB       ILE  16  12.430 -16.860  35.684
  127   HG12  ILE  16          HG12      ILE  16  10.852 -15.493  36.942
  128   HG13  ILE  16          HG11      ILE  16  12.436 -15.380  37.706
  129   HG21  ILE  16          HG21      ILE  16  14.452 -15.933  34.712
  130   HG22  ILE  16          HG22      ILE  16  14.463 -15.593  36.444
  131   HG23  ILE  16          HG23      ILE  16  14.037 -14.323  35.298
  132   HD11  ILE  16          HD11      ILE  16  11.746 -13.137  37.644
  133   HD12  ILE  16          HD12      ILE  16  10.978 -13.317  36.068
  134   HD13  ILE  16          HD13      ILE  16  12.733 -13.255  36.186
  135    H    GLY  17           HN       GLY  17  13.088 -14.432  32.386
  136    HA2  GLY  17           HA2      GLY  17  12.694 -16.439  30.457
  137    HA3  GLY  17           HA1      GLY  17  13.996 -15.252  30.442
  138    H    LYS  18           HN       LYS  18  14.080 -18.083  29.701
  139    HA   LYS  18           HA       LYS  18  16.198 -18.908  31.575
  140    HB2  LYS  18           HB2      LYS  18  13.761 -20.396  30.762
  141    HB3  LYS  18           HB1      LYS  18  15.250 -21.338  30.747
  142    HG2  LYS  18           HG2      LYS  18  15.700 -20.668  33.075
  143    HG3  LYS  18           HG1      LYS  18  14.218 -19.711  33.091
  144    HD2  LYS  18           HD2      LYS  18  12.960 -21.826  32.517
  145    HD3  LYS  18           HD1      LYS  18  14.461 -22.711  32.792
  146    HE2  LYS  18           HE2      LYS  18  13.067 -22.699  34.826
  147    HE3  LYS  18           HE1      LYS  18  14.572 -21.820  35.088
  148    HZ1  LYS  18           HZ1      LYS  18  13.464 -19.761  34.819
  149    HZ2  LYS  18           HZ2      LYS  18  12.527 -20.677  35.900
  150    HZ3  LYS  18           HZ3      LYS  18  12.040 -20.508  34.281
  151    HA   PRO  19           HA       PRO  19  18.874 -19.579  28.165
  152    HB2  PRO  19           HB2      PRO  19  19.305 -22.401  29.068
  153    HB3  PRO  19           HB1      PRO  19  20.494 -21.109  28.813
  154    HG2  PRO  19           HG2      PRO  19  19.782 -21.881  31.267
  155    HG3  PRO  19           HG1      PRO  19  20.125 -20.182  30.891
  156    HD2  PRO  19           HD2      PRO  19  17.483 -21.524  31.307
  157    HD3  PRO  19           HD1      PRO  19  18.016 -19.887  31.744
  158    H    ILE  20           HN       ILE  20  18.830 -20.349  26.065
  159    HA   ILE  20           HA       ILE  20  16.466 -21.376  25.017
  160    HB   ILE  20           HB       ILE  20  17.738 -21.739  22.949
  161   HG12  ILE  20          HG12      ILE  20  20.332 -20.861  23.464
  162   HG13  ILE  20          HG11      ILE  20  19.985 -21.835  24.894
  163   HG21  ILE  20          HG21      ILE  20  17.040 -19.459  23.541
  164   HG22  ILE  20          HG22      ILE  20  18.590 -19.435  22.701
  165   HG23  ILE  20          HG23      ILE  20  18.534 -19.228  24.451
  166   HD11  ILE  20          HD11      ILE  20  20.898 -23.370  23.352
  167   HD12  ILE  20          HD12      ILE  20  20.000 -22.680  22.002
  168   HD13  ILE  20          HD13      ILE  20  19.157 -23.628  23.226
  169    H    GLY  21           HN       GLY  21  15.637 -23.368  24.826
  170    HA2  GLY  21           HA2      GLY  21  17.117 -25.627  25.940
  171    HA3  GLY  21           HA1      GLY  21  15.417 -25.608  25.480
  172    H    GLU  22           HN       GLU  22  18.489 -26.647  24.608
  173    HA   GLU  22           HA       GLU  22  19.414 -27.488  22.656
  174    HB2  GLU  22           HB2      GLU  22  16.566 -28.505  22.579
  175    HB3  GLU  22           HB1      GLU  22  17.839 -29.091  21.508
  176    HG2  GLU  22           HG2      GLU  22  17.900 -30.640  23.278
  177    HG3  GLU  22           HG1      GLU  22  19.181 -29.513  23.717
  178    H    SER  23           HN       SER  23  18.463 -28.019  20.169
  179    HA   SER  23           HA       SER  23  18.331 -25.362  19.030
  180    HB2  SER  23           HB2      SER  23  18.379 -28.114  17.784
  181    HB3  SER  23           HB1      SER  23  18.344 -26.617  16.858
  182    HG   SER  23           HG       SER  23  20.455 -26.926  17.086
  183    H    TYR  24           HN       TYR  24  16.097 -27.793  19.952
  184    HA   TYR  24           HA       TYR  24  14.019 -27.520  18.142
  185    HB2  TYR  24           HB2      TYR  24  14.025 -27.993  21.123
  186    HB3  TYR  24           HB1      TYR  24  12.523 -27.942  20.201
  187    HD1  TYR  24           HD1      TYR  24  15.676 -29.772  20.754
  188    HD2  TYR  24           HD2      TYR  24  11.983 -29.661  18.564
  189    HE1  TYR  24           HE1      TYR  24  16.040 -32.112  20.020
  190    HE2  TYR  24           HE2      TYR  24  12.345 -32.001  17.831
  191    HH   TYR  24           HH       TYR  24  14.011 -33.618  17.608
  192    H    LYS  25           HN       LYS  25  15.406 -25.118  20.040
  193    HA   LYS  25           HA       LYS  25  13.262 -23.484  20.765
  194    HB2  LYS  25           HB2      LYS  25  14.858 -21.670  20.812
  195    HB3  LYS  25           HB1      LYS  25  15.663 -23.129  21.386
  196    HG2  LYS  25           HG2      LYS  25  16.571 -23.477  19.075
  197    HG3  LYS  25           HG1      LYS  25  15.868 -21.931  18.603
  198    HD2  LYS  25           HD2      LYS  25  17.180 -20.846  20.452
  199    HD3  LYS  25           HD1      LYS  25  17.990 -22.392  20.712
  200    HE2  LYS  25           HE2      LYS  25  17.942 -20.922  18.061
  201    HE3  LYS  25           HE1      LYS  25  19.275 -20.844  19.212
  202    HZ1  LYS  25           HZ1      LYS  25  18.789 -23.509  18.936
  203    HZ2  LYS  25           HZ2      LYS  25  20.047 -22.643  18.192
  204    HZ3  LYS  25           HZ3      LYS  25  18.590 -22.915  17.361
  205    H    ARG  26           HN       ARG  26  14.132 -24.507  17.708
  206    HA   ARG  26           HA       ARG  26  13.651 -22.228  16.121
  207    HB2  ARG  26           HB2      ARG  26  14.741 -24.290  15.289
  208    HB3  ARG  26           HB1      ARG  26  13.197 -25.135  15.409
  209    HG2  ARG  26           HG2      ARG  26  12.187 -23.555  13.817
  210    HG3  ARG  26           HG1      ARG  26  13.707 -22.666  13.719
  211    HD2  ARG  26           HD2      ARG  26  13.549 -24.163  11.811
  212    HD3  ARG  26           HD1      ARG  26  14.819 -24.740  12.888
  213    HE   ARG  26           HE       ARG  26  12.338 -25.976  13.537
  214   HH11  ARG  26          HH21      ARG  26  14.878 -25.919  11.187
  215   HH12  ARG  26          HH22      ARG  26  14.658 -27.569  10.707
  216   HH21  ARG  26          HH11      ARG  26  12.044 -28.137  12.913
  217   HH22  ARG  26          HH12      ARG  26  13.052 -28.825  11.684
  218    H    ILE  27           HN       ILE  27  11.536 -24.652  17.541
  219    HA   ILE  27           HA       ILE  27   9.204 -24.098  16.113
  220    HB   ILE  27           HB       ILE  27   9.522 -26.003  17.680
  221   HG12  ILE  27          HG12      ILE  27   7.151 -24.262  18.416
  222   HG13  ILE  27          HG11      ILE  27   7.252 -25.194  16.924
  223   HG21  ILE  27          HG21      ILE  27   9.485 -25.724  20.022
  224   HG22  ILE  27          HG22      ILE  27   8.864 -24.078  19.909
  225   HG23  ILE  27          HG23      ILE  27  10.536 -24.419  19.478
  226   HD11  ILE  27          HD11      ILE  27   6.137 -26.722  18.261
  227   HD12  ILE  27          HD12      ILE  27   6.894 -26.139  19.740
  228   HD13  ILE  27          HD13      ILE  27   7.796 -27.184  18.644
  229    H    LEU  28           HN       LEU  28  10.418 -22.680  19.124
  230    HA   LEU  28           HA       LEU  28   8.274 -20.914  19.559
  231    HB2  LEU  28           HB2      LEU  28  11.141 -21.032  20.454
  232    HB3  LEU  28           HB1      LEU  28  10.172 -19.613  20.843
  233    HG   LEU  28           HG       LEU  28   9.044 -22.347  21.423
  234   HD11  LEU  28          HD11      LEU  28  11.107 -20.887  23.087
  235   HD12  LEU  28          HD12      LEU  28  11.220 -22.521  22.434
  236   HD13  LEU  28          HD13      LEU  28  10.068 -22.164  23.721
  237   HD21  LEU  28          HD21      LEU  28   7.832 -20.054  21.661
  238   HD22  LEU  28          HD22      LEU  28   8.853 -19.827  23.081
  239   HD23  LEU  28          HD23      LEU  28   7.730 -21.185  23.011
  240    H    ALA  29           HN       ALA  29  11.348 -20.537  17.843
  241    HA   ALA  29           HA       ALA  29  10.956 -17.786  17.197
  242    HB1  ALA  29           HB1      ALA  29  13.175 -18.949  17.219
  243    HB2  ALA  29           HB2      ALA  29  12.859 -18.043  15.739
  244    HB3  ALA  29           HB3      ALA  29  12.690 -19.799  15.751
  245    H    LYS  30           HN       LYS  30   9.728 -20.722  15.952
  246    HA   LYS  30           HA       LYS  30   9.275 -20.000  13.267
  247    HB2  LYS  30           HB2      LYS  30   9.038 -22.304  14.419
  248    HB3  LYS  30           HB1      LYS  30   7.411 -21.764  14.833
  249    HG2  LYS  30           HG2      LYS  30   6.776 -22.527  12.761
  250    HG3  LYS  30           HG1      LYS  30   7.603 -21.115  12.103
  251    HD2  LYS  30           HD2      LYS  30   8.949 -23.783  12.628
  252    HD3  LYS  30           HD1      LYS  30   8.319 -23.280  11.058
  253    HE2  LYS  30           HE2      LYS  30  10.489 -21.876  12.647
  254    HE3  LYS  30           HE1      LYS  30  10.707 -22.786  11.152
  255    HZ1  LYS  30           HZ1      LYS  30   9.105 -20.307  11.478
  256    HZ2  LYS  30           HZ2      LYS  30   9.221 -21.211  10.044
  257    HZ3  LYS  30           HZ3      LYS  30  10.596 -20.443  10.680
  258    H    LEU  31           HN       LEU  31   7.621 -19.227  16.218
  259    HA   LEU  31           HA       LEU  31   5.128 -18.441  15.194
  260    HB2  LEU  31           HB2      LEU  31   6.730 -17.722  17.634
  261    HB3  LEU  31           HB1      LEU  31   5.250 -16.832  17.280
  262    HG   LEU  31           HG       LEU  31   3.951 -18.861  17.298
  263   HD11  LEU  31          HD11      LEU  31   5.199 -21.032  17.983
  264   HD12  LEU  31          HD12      LEU  31   6.663 -20.190  17.472
  265   HD13  LEU  31          HD13      LEU  31   5.370 -20.492  16.312
  266   HD21  LEU  31          HD21      LEU  31   5.879 -18.779  19.635
  267   HD22  LEU  31          HD22      LEU  31   4.324 -19.607  19.635
  268   HD23  LEU  31          HD23      LEU  31   4.386 -17.853  19.483
  269    H    GLN  32           HN       GLN  32   8.181 -16.688  15.546
  270    HA   GLN  32           HA       GLN  32   7.283 -14.132  14.840
  271    HB2  GLN  32           HB2      GLN  32   9.945 -15.504  14.433
  272    HB3  GLN  32           HB1      GLN  32   9.675 -13.801  14.064
  273    HG2  GLN  32           HG2      GLN  32   9.102 -15.036  16.768
  274    HG3  GLN  32           HG1      GLN  32  10.617 -14.228  16.370
  275   HE21  GLN  32          HE21      GLN  32   8.012 -13.558  18.100
  276   HE22  GLN  32          HE22      GLN  32   7.748 -11.929  17.710
  277    H    ARG  33           HN       ARG  33   8.446 -16.808  12.808
  278    HA   ARG  33           HA       ARG  33   8.199 -15.385  10.347
  279    HB2  ARG  33           HB2      ARG  33   9.634 -17.390  10.618
  280    HB3  ARG  33           HB1      ARG  33   8.184 -18.375  10.819
  281    HG2  ARG  33           HG2      ARG  33   7.412 -17.779   8.588
  282    HG3  ARG  33           HG1      ARG  33   8.766 -16.668   8.382
  283    HD2  ARG  33           HD2      ARG  33   9.070 -19.643   8.862
  284    HD3  ARG  33           HD1      ARG  33   9.119 -18.889   7.271
  285    HE   ARG  33           HE       ARG  33  10.981 -17.567   8.904
  286   HH11  ARG  33          HH21      ARG  33  10.378 -20.682   7.525
  287   HH12  ARG  33          HH22      ARG  33  12.053 -21.103   7.395
  288   HH21  ARG  33          HH11      ARG  33  13.181 -18.111   8.737
  289   HH22  ARG  33          HH12      ARG  33  13.640 -19.647   8.081
  290    H    ILE  34           HN       ILE  34   6.106 -17.618  12.124
  291    HA   ILE  34           HA       ILE  34   4.071 -17.809  10.179
  292    HB   ILE  34           HB       ILE  34   4.010 -18.121  13.183
  293   HG12  ILE  34          HG12      ILE  34   5.317 -19.723  11.527
  294   HG13  ILE  34          HG11      ILE  34   4.332 -20.409  12.816
  295   HG21  ILE  34          HG21      ILE  34   1.845 -18.496  11.115
  296   HG22  ILE  34          HG22      ILE  34   1.750 -17.650  12.660
  297   HG23  ILE  34          HG23      ILE  34   1.831 -19.413  12.620
  298   HD11  ILE  34          HD11      ILE  34   3.139 -19.893  10.091
  299   HD12  ILE  34          HD12      ILE  34   2.588 -20.998  11.348
  300   HD13  ILE  34          HD13      ILE  34   4.036 -21.375  10.420
  301    H    HIS  35           HN       HIS  35   4.537 -15.612  12.912
  302    HA   HIS  35           HA       HIS  35   2.099 -14.245  12.752
  303    HB2  HIS  35           HB2      HIS  35   3.666 -13.998  14.632
  304    HB3  HIS  35           HB1      HIS  35   4.814 -13.183  13.570
  305    HD2  HIS  35           HD2      HIS  35   1.112 -12.489  14.872
  306    HE1  HIS  35           HE1      HIS  35   2.958  -8.818  13.902
  307    HE2  HIS  35           HE2      HIS  35   0.865  -9.890  14.860
  308    H    ASN  36           HN       ASN  36   5.207 -13.612  11.148
  309    HA   ASN  36           HA       ASN  36   4.363 -11.273   9.779
  310    HB2  ASN  36           HB2      ASN  36   6.725 -11.777  10.081
  311    HB3  ASN  36           HB1      ASN  36   6.560 -13.247   9.122
  312   HD21  ASN  36          HD21      ASN  36   8.411 -11.637   8.059
  313   HD22  ASN  36          HD22      ASN  36   7.820 -10.744   6.742
  314    H    SER  37           HN       SER  37   4.405 -14.711   8.890
  315    HA   SER  37           HA       SER  37   3.083 -14.095   6.334
  316    HB2  SER  37           HB2      SER  37   3.578 -16.431   5.773
  317    HB3  SER  37           HB1      SER  37   5.038 -15.559   6.233
  318    HG   SER  37           HG       SER  37   4.015 -16.525   8.447
  319    H    ASN  38           HN       ASN  38   1.886 -14.104   9.160
  320    HA   ASN  38           HA       ASN  38   0.242 -16.209   9.711
  321    HB2  ASN  38           HB2      ASN  38   0.372 -14.005  10.950
  322    HB3  ASN  38           HB1      ASN  38  -0.721 -13.345   9.735
  323   HD21  ASN  38          HD21      ASN  38  -2.494 -13.064  11.257
  324   HD22  ASN  38          HD22      ASN  38  -3.321 -14.396  11.908
  325    H    ILE  39           HN       ILE  39  -1.158 -17.336   8.560
  326    HA   ILE  39           HA       ILE  39  -2.734 -17.931   7.005
  327    HB   ILE  39           HB       ILE  39  -3.418 -14.996   6.857
  328   HG12  ILE  39          HG12      ILE  39  -4.367 -17.072   8.824
  329   HG13  ILE  39          HG11      ILE  39  -3.286 -15.739   9.210
  330   HG21  ILE  39          HG21      ILE  39  -4.436 -16.623   5.217
  331   HG22  ILE  39          HG22      ILE  39  -5.606 -15.795   6.244
  332   HG23  ILE  39          HG23      ILE  39  -5.148 -17.462   6.594
  333   HD11  ILE  39          HD11      ILE  39  -6.142 -15.514   8.219
  334   HD12  ILE  39          HD12      ILE  39  -5.054 -14.146   8.454
  335   HD13  ILE  39          HD13      ILE  39  -5.556 -15.120   9.835
  336    H    LEU  40           HN       LEU  40  -0.529 -18.144   5.803
  337    HA   LEU  40           HA       LEU  40  -0.697 -16.551   3.310
  338    HB2  LEU  40           HB2      LEU  40   1.347 -16.041   4.654
  339    HB3  LEU  40           HB1      LEU  40   1.812 -17.735   4.523
  340    HG   LEU  40           HG       LEU  40   1.801 -17.528   2.053
  341   HD11  LEU  40          HD11      LEU  40   0.371 -15.818   1.416
  342   HD12  LEU  40          HD12      LEU  40   1.905 -14.960   1.322
  343   HD13  LEU  40          HD13      LEU  40   0.866 -14.759   2.736
  344   HD21  LEU  40          HD21      LEU  40   3.520 -15.412   3.368
  345   HD22  LEU  40          HD22      LEU  40   3.875 -16.300   1.887
  346   HD23  LEU  40          HD23      LEU  40   3.859 -17.142   3.438
  347    H    ASP  41           HN       ASP  41  -0.607 -17.631   1.398
  348    HA   ASP  41           HA       ASP  41  -1.454 -20.301   1.323
  349    HB2  ASP  41           HB2      ASP  41  -0.362 -18.421  -0.747
  350    HB3  ASP  41           HB1      ASP  41  -0.725 -20.094  -1.160
  351    H    GLU  42           HN       GLU  42   1.750 -18.898   1.004
  352    HA   GLU  42           HA       GLU  42   3.064 -21.295   0.232
  353    HB2  GLU  42           HB2      GLU  42   4.038 -18.756   1.521
  354    HB3  GLU  42           HB1      GLU  42   5.112 -20.054   1.003
  355    HG2  GLU  42           HG2      GLU  42   4.318 -19.839  -1.296
  356    HG3  GLU  42           HG1      GLU  42   3.145 -18.620  -0.804
  357    H    ARG  43           HN       ARG  43   2.918 -19.605   3.374
  358    HA   ARG  43           HA       ARG  43   4.142 -21.816   4.769
  359    HB2  ARG  43           HB2      ARG  43   2.806 -19.314   5.843
  360    HB3  ARG  43           HB1      ARG  43   3.770 -20.448   6.785
  361    HG2  ARG  43           HG2      ARG  43   4.918 -19.160   4.311
  362    HG3  ARG  43           HG1      ARG  43   4.933 -18.311   5.853
  363    HD2  ARG  43           HD2      ARG  43   6.110 -20.233   6.883
  364    HD3  ARG  43           HD1      ARG  43   6.161 -21.036   5.318
  365    HE   ARG  43           HE       ARG  43   7.727 -18.708   6.135
  366   HH11  ARG  43          HH21      ARG  43   6.637 -20.829   3.621
  367   HH12  ARG  43          HH22      ARG  43   7.931 -20.434   2.541
  368   HH21  ARG  43          HH11      ARG  43   9.422 -18.190   4.724
  369   HH22  ARG  43          HH12      ARG  43   9.506 -18.938   3.165
  370    H    GLN  44           HN       GLN  44   0.971 -21.030   3.817
  371    HA   GLN  44           HA       GLN  44  -0.682 -21.907   5.785
  372    HB2  GLN  44           HB2      GLN  44  -0.782 -21.784   2.897
  373    HB3  GLN  44           HB1      GLN  44  -1.623 -23.229   3.432
  374    HG2  GLN  44           HG2      GLN  44  -2.146 -20.477   4.592
  375    HG3  GLN  44           HG1      GLN  44  -3.087 -21.178   3.272
  376   HE21  GLN  44          HE21      GLN  44  -3.342 -20.702   6.484
  377   HE22  GLN  44          HE22      GLN  44  -4.176 -22.106   6.942
  378    H    GLY  45           HN       GLY  45   1.443 -23.890   3.817
  379    HA2  GLY  45           HA2      GLY  45   0.418 -26.408   4.676
  380    HA3  GLY  45           HA1      GLY  45   1.974 -26.131   3.897
  381    H    LEU  46           HN       LEU  46   2.899 -24.204   5.831
  382    HA   LEU  46           HA       LEU  46   4.144 -25.937   7.657
  383    HB2  LEU  46           HB2      LEU  46   5.203 -23.843   7.048
  384    HB3  LEU  46           HB1      LEU  46   3.858 -22.921   7.710
  385    HG   LEU  46           HG       LEU  46   4.362 -23.724   9.971
  386   HD11  LEU  46          HD11      LEU  46   6.645 -25.012  10.169
  387   HD12  LEU  46          HD12      LEU  46   6.335 -25.463   8.492
  388   HD13  LEU  46          HD13      LEU  46   5.186 -25.913   9.754
  389   HD21  LEU  46          HD21      LEU  46   7.028 -22.900   8.826
  390   HD22  LEU  46          HD22      LEU  46   6.272 -22.417  10.342
  391   HD23  LEU  46          HD23      LEU  46   5.666 -21.776   8.816
  392    H    MET  47           HN       MET  47   1.254 -23.969   7.872
  393    HA   MET  47           HA       MET  47   0.881 -24.040  10.653
  394    HB2  MET  47           HB2      MET  47  -0.993 -23.782   8.309
  395    HB3  MET  47           HB1      MET  47  -1.614 -23.821   9.957
  396    HG2  MET  47           HG2      MET  47  -1.295 -21.508   9.331
  397    HG3  MET  47           HG1      MET  47  -0.049 -21.923  10.509
  398    HE1  MET  47           HE1      MET  47   0.251 -19.416   8.904
  399    HE2  MET  47           HE2      MET  47  -0.690 -20.006   7.538
  400    HE3  MET  47           HE3      MET  47   0.973 -19.485   7.291
  401    H    HIS  48           HN       HIS  48  -0.038 -26.325   8.111
  402    HA   HIS  48           HA       HIS  48  -1.550 -28.050   9.793
  403    HB2  HIS  48           HB2      HIS  48  -1.746 -28.070   7.340
  404    HB3  HIS  48           HB1      HIS  48  -0.096 -28.672   7.212
  405    HD2  HIS  48           HD2      HIS  48   0.050 -31.430   7.274
  406    HE1  HIS  48           HE1      HIS  48  -3.728 -32.189   8.999
  407    HE2  HIS  48           HE2      HIS  48  -1.651 -33.268   8.013
  408    H    GLU  49           HN       GLU  49   1.818 -28.150   8.639
  409    HA   GLU  49           HA       GLU  49   2.487 -30.534  10.067
  410    HB2  GLU  49           HB2      GLU  49   4.205 -28.355   8.857
  411    HB3  GLU  49           HB1      GLU  49   4.846 -29.840   9.560
  412    HG2  GLU  49           HG2      GLU  49   3.580 -31.187   7.964
  413    HG3  GLU  49           HG1      GLU  49   2.827 -29.738   7.299
  414    H    LEU  50           HN       LEU  50   2.729 -27.094  10.729
  415    HA   LEU  50           HA       LEU  50   4.304 -27.258  13.050
  416    HB2  LEU  50           HB2      LEU  50   3.905 -25.138  11.855
  417    HB3  LEU  50           HB1      LEU  50   2.210 -25.182  12.338
  418    HG   LEU  50           HG       LEU  50   2.909 -25.129  14.728
  419   HD11  LEU  50          HD11      LEU  50   5.426 -24.349  14.990
  420   HD12  LEU  50          HD12      LEU  50   5.640 -25.203  13.461
  421   HD13  LEU  50          HD13      LEU  50   5.043 -26.066  14.877
  422   HD21  LEU  50          HD21      LEU  50   2.499 -23.046  13.295
  423   HD22  LEU  50          HD22      LEU  50   4.253 -22.879  13.220
  424   HD23  LEU  50          HD23      LEU  50   3.427 -22.808  14.776
  425    H    MET  51           HN       MET  51   0.818 -27.421  12.510
  426    HA   MET  51           HA       MET  51  -0.118 -27.265  15.117
  427    HB2  MET  51           HB2      MET  51  -1.567 -27.345  13.112
  428    HB3  MET  51           HB1      MET  51  -1.156 -29.046  12.896
  429    HG2  MET  51           HG2      MET  51  -2.129 -29.571  15.103
  430    HG3  MET  51           HG1      MET  51  -2.517 -27.866  15.336
  431    HE1  MET  51           HE1      MET  51  -4.546 -30.975  12.705
  432    HE2  MET  51           HE2      MET  51  -3.550 -31.207  14.140
  433    HE3  MET  51           HE3      MET  51  -2.803 -30.690  12.630
  434    H    GLU  52           HN       GLU  52   0.960 -30.140  13.312
  435    HA   GLU  52           HA       GLU  52   0.557 -31.953  15.474
  436    HB2  GLU  52           HB2      GLU  52   2.230 -32.123  12.962
  437    HB3  GLU  52           HB1      GLU  52   2.060 -33.454  14.107
  438    HG2  GLU  52           HG2      GLU  52  -0.369 -33.448  13.793
  439    HG3  GLU  52           HG1      GLU  52  -0.241 -32.071  12.700
  440    H    LEU  53           HN       LEU  53   3.317 -30.074  14.325
  441    HA   LEU  53           HA       LEU  53   5.269 -31.251  15.974
  442    HB2  LEU  53           HB2      LEU  53   5.402 -29.479  13.971
  443    HB3  LEU  53           HB1      LEU  53   5.449 -28.331  15.308
  444    HG   LEU  53           HG       LEU  53   7.319 -30.683  14.901
  445   HD11  LEU  53          HD11      LEU  53   7.715 -27.688  14.696
  446   HD12  LEU  53          HD12      LEU  53   7.830 -28.865  13.386
  447   HD13  LEU  53          HD13      LEU  53   9.027 -28.866  14.682
  448   HD21  LEU  53          HD21      LEU  53   6.925 -28.746  17.175
  449   HD22  LEU  53          HD22      LEU  53   8.526 -29.417  16.860
  450   HD23  LEU  53          HD23      LEU  53   7.178 -30.489  17.231
  451    H    ILE  54           HN       ILE  54   3.112 -28.487  16.481
  452    HA   ILE  54           HA       ILE  54   4.156 -27.704  18.969
  453    HB   ILE  54           HB       ILE  54   1.416 -27.345  17.773
  454   HG12  ILE  54          HG12      ILE  54   3.601 -26.268  16.789
  455   HG13  ILE  54          HG11      ILE  54   2.188 -25.259  17.055
  456   HG21  ILE  54          HG21      ILE  54   1.335 -25.451  19.548
  457   HG22  ILE  54          HG22      ILE  54   2.604 -26.354  20.370
  458   HG23  ILE  54          HG23      ILE  54   1.026 -27.097  20.104
  459   HD11  ILE  54          HD11      ILE  54   3.103 -24.199  18.926
  460   HD12  ILE  54          HD12      ILE  54   4.519 -24.395  17.896
  461   HD13  ILE  54          HD13      ILE  54   4.245 -25.500  19.243
  462    H    ASP  55           HN       ASP  55   1.583 -29.947  18.107
  463    HA   ASP  55           HA       ASP  55   0.678 -30.494  20.708
  464    HB2  ASP  55           HB2      ASP  55  -0.476 -31.107  18.544
  465    HB3  ASP  55           HB1      ASP  55   0.692 -32.416  18.372
  466    H    LEU  56           HN       LEU  56   3.367 -31.699  18.828
  467    HA   LEU  56           HA       LEU  56   3.960 -33.814  20.723
  468    HB2  LEU  56           HB2      LEU  56   5.455 -32.786  18.308
  469    HB3  LEU  56           HB1      LEU  56   5.967 -34.166  19.283
  470    HG   LEU  56           HG       LEU  56   3.262 -33.958  17.931
  471   HD11  LEU  56          HD11      LEU  56   5.235 -34.043  16.345
  472   HD12  LEU  56          HD12      LEU  56   4.107 -35.391  16.197
  473   HD13  LEU  56          HD13      LEU  56   5.638 -35.611  17.044
  474   HD21  LEU  56          HD21      LEU  56   2.972 -35.548  19.620
  475   HD22  LEU  56          HD22      LEU  56   4.658 -36.064  19.576
  476   HD23  LEU  56          HD23      LEU  56   3.543 -36.572  18.307
  477    H    TYR  57           HN       TYR  57   4.726 -30.508  20.266
  478    HA   TYR  57           HA       TYR  57   7.170 -30.605  21.848
  479    HB2  TYR  57           HB2      TYR  57   6.928 -29.044  19.932
  480    HB3  TYR  57           HB1      TYR  57   5.644 -28.211  20.810
  481    HD1  TYR  57           HD1      TYR  57   9.241 -29.183  20.978
  482    HD2  TYR  57           HD2      TYR  57   6.147 -26.629  22.514
  483    HE1  TYR  57           HE1      TYR  57  10.941 -27.865  22.213
  484    HE2  TYR  57           HE2      TYR  57   7.847 -25.311  23.747
  485    HH   TYR  57           HH       TYR  57  11.238 -25.718  23.200
  486    H    GLU  58           HN       GLU  58   3.864 -29.339  22.158
  487    HA   GLU  58           HA       GLU  58   4.084 -28.088  24.613
  488    HB2  GLU  58           HB2      GLU  58   1.713 -28.232  24.768
  489    HB3  GLU  58           HB1      GLU  58   2.074 -28.149  23.047
  490    HG2  GLU  58           HG2      GLU  58   2.023 -30.679  23.027
  491    HG3  GLU  58           HG1      GLU  58   1.352 -30.608  24.653
  492    H    GLU  59           HN       GLU  59   4.062 -31.461  23.859
  493    HA   GLU  59           HA       GLU  59   3.608 -32.279  26.630
  494    HB2  GLU  59           HB2      GLU  59   2.630 -33.536  24.676
  495    HB3  GLU  59           HB1      GLU  59   4.272 -34.027  24.256
  496    HG2  GLU  59           HG2      GLU  59   4.551 -35.122  26.414
  497    HG3  GLU  59           HG1      GLU  59   2.987 -34.521  26.960
  498    H    SER  60           HN       SER  60   6.203 -31.405  24.611
  499    HA   SER  60           HA       SER  60   8.219 -33.167  25.422
  500    HB2  SER  60           HB2      SER  60   9.784 -31.478  24.681
  501    HB3  SER  60           HB1      SER  60   8.410 -31.514  23.582
  502    HG   SER  60           HG       SER  60   8.353 -29.446  24.025
  503    H    GLN  61           HN       GLN  61   7.654 -29.877  26.681
  504    HA   GLN  61           HA       GLN  61   9.021 -30.671  29.184
  505    HB2  GLN  61           HB2      GLN  61   9.468 -28.483  27.487
  506    HB3  GLN  61           HB1      GLN  61   8.626 -27.792  28.869
  507    HG2  GLN  61           HG2      GLN  61  10.960 -27.721  29.368
  508    HG3  GLN  61           HG1      GLN  61  10.269 -29.014  30.346
  509   HE21  GLN  61          HE21      GLN  61  12.066 -30.426  30.448
  510   HE22  GLN  61          HE22      GLN  61  12.781 -31.127  29.077
  511    HA   PRO  62           HA       PRO  62   5.091 -28.646  30.693
  512    HB2  PRO  62           HB2      PRO  62   3.399 -27.400  28.929
  513    HB3  PRO  62           HB1      PRO  62   4.880 -26.641  29.528
  514    HG2  PRO  62           HG2      PRO  62   4.282 -27.684  26.852
  515    HG3  PRO  62           HG1      PRO  62   5.553 -26.564  27.355
  516    HD2  PRO  62           HD2      PRO  62   5.796 -29.424  26.862
  517    HD3  PRO  62           HD1      PRO  62   7.063 -28.260  27.242
  518    H    SER  63           HN       SER  63   5.039 -31.212  30.286
  519    HA   SER  63           HA       SER  63   2.596 -32.076  28.939
  520    HB2  SER  63           HB2      SER  63   3.335 -34.280  29.315
  521    HB3  SER  63           HB1      SER  63   4.803 -33.378  28.952
  522    HG   SER  63           HG       SER  63   4.044 -34.652  31.235
  523    H    SER  64           HN       SER  64   3.332 -30.663  31.823
  524    HA   SER  64           HA       SER  64   1.792 -32.276  33.630
  525    HB2  SER  64           HB2      SER  64   1.956 -30.227  35.103
  526    HB3  SER  64           HB1      SER  64   3.497 -30.905  34.586
  527    HG   SER  64           HG       SER  64   2.696 -28.458  34.276
  528    H    GLU  65           HN       GLU  65   0.477 -31.405  31.132
  529    HA   GLU  65           HA       GLU  65  -1.725 -30.990  30.585
  530    HB2  GLU  65           HB2      GLU  65  -2.104 -31.654  33.101
  531    HB3  GLU  65           HB1      GLU  65  -2.303 -29.920  33.340
  532    HG2  GLU  65           HG2      GLU  65  -4.069 -29.864  31.647
  533    HG3  GLU  65           HG1      GLU  65  -3.858 -31.589  31.350
  534    H    ARG  66           HN       ARG  66   0.618 -28.913  31.449
  535    HA   ARG  66           HA       ARG  66  -0.741 -26.409  31.487
  536    HB2  ARG  66           HB2      ARG  66   2.129 -27.178  30.971
  537    HB3  ARG  66           HB1      ARG  66   1.573 -25.503  30.973
  538    HG2  ARG  66           HG2      ARG  66   0.706 -25.806  33.275
  539    HG3  ARG  66           HG1      ARG  66   1.307 -27.465  33.271
  540    HD2  ARG  66           HD2      ARG  66   3.049 -25.024  32.840
  541    HD3  ARG  66           HD1      ARG  66   2.858 -25.841  34.389
  542    HE   ARG  66           HE       ARG  66   3.608 -27.833  32.652
  543   HH11  ARG  66          HH21      ARG  66   4.834 -24.728  33.571
  544   HH12  ARG  66          HH22      ARG  66   6.495 -25.166  33.346
  545   HH21  ARG  66          HH11      ARG  66   5.784 -28.411  32.357
  546   HH22  ARG  66          HH12      ARG  66   7.032 -27.251  32.658
  547    H    LEU  67           HN       LEU  67   0.112 -28.596  28.986
  548    HA   LEU  67           HA       LEU  67   0.571 -26.997  26.792
  549    HB2  LEU  67           HB2      LEU  67  -0.665 -28.766  25.481
  550    HB3  LEU  67           HB1      LEU  67   0.649 -29.349  26.505
  551    HG   LEU  67           HG       LEU  67  -1.866 -29.275  28.022
  552   HD11  LEU  67          HD11      LEU  67  -1.847 -31.064  25.579
  553   HD12  LEU  67          HD12      LEU  67  -2.864 -29.640  25.782
  554   HD13  LEU  67          HD13      LEU  67  -3.074 -31.030  26.847
  555   HD21  LEU  67          HD21      LEU  67   0.023 -31.509  27.213
  556   HD22  LEU  67          HD22      LEU  67  -1.255 -31.659  28.420
  557   HD23  LEU  67          HD23      LEU  67   0.100 -30.565  28.699
  558    H    ASN  68           HN       ASN  68  -2.265 -27.202  28.721
  559    HA   ASN  68           HA       ASN  68  -4.329 -26.560  27.002
  560    HB2  ASN  68           HB2      ASN  68  -4.696 -26.948  29.382
  561    HB3  ASN  68           HB1      ASN  68  -3.812 -25.477  29.783
  562   HD21  ASN  68          HD21      ASN  68  -6.326 -25.443  30.766
  563   HD22  ASN  68          HD22      ASN  68  -7.365 -24.491  29.820
  564    H    ALA  69           HN       ALA  69  -1.855 -24.433  28.378
  565    HA   ALA  69           HA       ALA  69  -2.934 -22.022  27.280
  566    HB1  ALA  69           HB1      ALA  69  -0.907 -20.985  28.000
  567    HB2  ALA  69           HB2      ALA  69  -0.055 -22.529  28.038
  568    HB3  ALA  69           HB3      ALA  69  -1.316 -22.187  29.223
  569    H    PHE  70           HN       PHE  70  -0.536 -24.386  26.235
  570    HA   PHE  70           HA       PHE  70   0.269 -22.929  23.898
  571    HB2  PHE  70           HB2      PHE  70   0.658 -25.788  24.789
  572    HB3  PHE  70           HB1      PHE  70   1.269 -25.180  23.253
  573    HD1  PHE  70           HD2      PHE  70   1.505 -24.867  26.934
  574    HD2  PHE  70           HD1      PHE  70   3.128 -23.643  23.152
  575    HE1  PHE  70           HE2      PHE  70   3.471 -23.899  28.092
  576    HE2  PHE  70           HE1      PHE  70   5.094 -22.672  24.309
  577    HZ   PHE  70           HZ       PHE  70   5.266 -22.800  26.780
  578    H    ARG  71           HN       ARG  71  -2.265 -25.160  24.682
  579    HA   ARG  71           HA       ARG  71  -2.890 -26.122  22.128
  580    HB2  ARG  71           HB2      ARG  71  -4.545 -25.655  24.600
  581    HB3  ARG  71           HB1      ARG  71  -5.255 -26.310  23.125
  582    HG2  ARG  71           HG2      ARG  71  -2.745 -27.573  24.211
  583    HG3  ARG  71           HG1      ARG  71  -4.287 -27.946  24.978
  584    HD2  ARG  71           HD2      ARG  71  -5.201 -28.614  22.768
  585    HD3  ARG  71           HD1      ARG  71  -3.629 -28.305  22.039
  586    HE   ARG  71           HE       ARG  71  -3.064 -30.057  24.046
  587   HH11  ARG  71          HH21      ARG  71  -5.342 -29.950  21.446
  588   HH12  ARG  71          HH22      ARG  71  -5.368 -31.666  21.216
  589   HH21  ARG  71          HH11      ARG  71  -3.092 -32.302  23.755
  590   HH22  ARG  71          HH12      ARG  71  -4.092 -32.999  22.525
  591    H    GLU  72           HN       GLU  72  -3.728 -23.128  23.773
  592    HA   GLU  72           HA       GLU  72  -5.728 -22.163  22.108
  593    HB2  GLU  72           HB2      GLU  72  -3.475 -20.695  23.499
  594    HB3  GLU  72           HB1      GLU  72  -4.836 -19.887  22.720
  595    HG2  GLU  72           HG2      GLU  72  -6.406 -21.060  24.188
  596    HG3  GLU  72           HG1      GLU  72  -5.076 -21.943  24.935
  597    H    LEU  73           HN       LEU  73  -2.201 -21.901  21.768
  598    HA   LEU  73           HA       LEU  73  -2.244 -20.501  19.309
  599    HB2  LEU  73           HB2      LEU  73  -0.233 -20.568  20.704
  600    HB3  LEU  73           HB1      LEU  73  -0.114 -22.313  20.484
  601    HG   LEU  73           HG       LEU  73   0.212 -22.005  18.060
  602   HD11  LEU  73          HD11      LEU  73   0.708 -19.481  17.414
  603   HD12  LEU  73          HD12      LEU  73  -0.364 -19.137  18.774
  604   HD13  LEU  73          HD13      LEU  73  -0.946 -20.089  17.410
  605   HD21  LEU  73          HD21      LEU  73   2.052 -20.170  19.619
  606   HD22  LEU  73          HD22      LEU  73   2.435 -21.059  18.144
  607   HD23  LEU  73          HD23      LEU  73   2.156 -21.931  19.651
  608    H    ARG  74           HN       ARG  74  -2.203 -23.919  20.156
  609    HA   ARG  74           HA       ARG  74  -1.784 -24.975  17.580
  610    HB2  ARG  74           HB2      ARG  74  -1.599 -26.298  19.678
  611    HB3  ARG  74           HB1      ARG  74  -3.350 -26.199  19.865
  612    HG2  ARG  74           HG2      ARG  74  -3.637 -27.325  17.680
  613    HG3  ARG  74           HG1      ARG  74  -1.884 -27.455  17.532
  614    HD2  ARG  74           HD2      ARG  74  -1.865 -28.742  19.683
  615    HD3  ARG  74           HD1      ARG  74  -3.626 -28.717  19.657
  616    HE   ARG  74           HE       ARG  74  -2.477 -29.761  17.224
  617   HH11  ARG  74          HH21      ARG  74  -3.444 -30.425  20.474
  618   HH12  ARG  74          HH22      ARG  74  -3.695 -32.117  20.204
  619   HH21  ARG  74          HH11      ARG  74  -2.798 -31.985  16.858
  620   HH22  ARG  74          HH12      ARG  74  -3.328 -33.000  18.158
  621    H    THR  75           HN       THR  75  -4.665 -23.939  19.313
  622    HA   THR  75           HA       THR  75  -6.621 -24.943  17.590
  623    HB   THR  75           HB       THR  75  -6.777 -22.315  19.001
  624    HG1  THR  75           HG1      THR  75  -6.557 -23.402  20.761
  625   HG21  THR  75          HG21      THR  75  -8.867 -24.407  18.409
  626   HG22  THR  75          HG22      THR  75  -8.607 -22.957  17.438
  627   HG23  THR  75          HG23      THR  75  -9.142 -22.815  19.113
  628    H    GLN  76           HN       GLN  76  -4.790 -21.917  17.497
  629    HA   GLN  76           HA       GLN  76  -6.093 -20.721  15.325
  630    HB2  GLN  76           HB2      GLN  76  -4.414 -19.592  16.786
  631    HB3  GLN  76           HB1      GLN  76  -3.148 -20.547  16.015
  632    HG2  GLN  76           HG2      GLN  76  -3.260 -18.358  14.946
  633    HG3  GLN  76           HG1      GLN  76  -3.821 -19.581  13.807
  634   HE21  GLN  76          HE21      GLN  76  -5.281 -18.222  12.624
  635   HE22  GLN  76          HE22      GLN  76  -6.664 -17.536  13.331
  636    H    LEU  77           HN       LEU  77  -3.328 -22.948  15.420
  637    HA   LEU  77           HA       LEU  77  -2.845 -22.996  12.630
  638    HB2  LEU  77           HB2      LEU  77  -2.337 -25.232  14.607
  639    HB3  LEU  77           HB1      LEU  77  -1.518 -24.965  13.068
  640    HG   LEU  77           HG       LEU  77  -1.431 -23.106  15.465
  641   HD11  LEU  77          HD11      LEU  77   0.586 -25.018  14.274
  642   HD12  LEU  77          HD12      LEU  77  -0.098 -25.053  15.901
  643   HD13  LEU  77          HD13      LEU  77   1.005 -23.759  15.436
  644   HD21  LEU  77          HD21      LEU  77  -0.349 -22.917  12.652
  645   HD22  LEU  77          HD22      LEU  77   0.468 -22.092  13.981
  646   HD23  LEU  77          HD23      LEU  77  -1.203 -21.692  13.591
  647    H    GLU  78           HN       GLU  78  -4.890 -24.942  14.751
  648    HA   GLU  78           HA       GLU  78  -5.738 -26.776  12.744
  649    HB2  GLU  78           HB2      GLU  78  -5.920 -27.229  15.175
  650    HB3  GLU  78           HB1      GLU  78  -7.140 -25.961  15.305
  651    HG2  GLU  78           HG2      GLU  78  -8.598 -27.172  13.745
  652    HG3  GLU  78           HG1      GLU  78  -7.371 -28.420  13.545
  653    H    LYS  79           HN       LYS  79  -7.067 -23.742  14.010
  654    HA   LYS  79           HA       LYS  79  -9.476 -23.798  12.529
  655    HB2  LYS  79           HB2      LYS  79  -9.077 -22.349  14.511
  656    HB3  LYS  79           HB1      LYS  79  -7.950 -21.392  13.548
  657    HG2  LYS  79           HG2      LYS  79  -9.709 -20.797  11.985
  658    HG3  LYS  79           HG1      LYS  79 -10.853 -21.857  12.810
  659    HD2  LYS  79           HD2      LYS  79  -9.481 -19.718  14.429
  660    HD3  LYS  79           HD1      LYS  79 -10.787 -19.238  13.347
  661    HE2  LYS  79           HE2      LYS  79 -10.985 -21.375  15.491
  662    HE3  LYS  79           HE1      LYS  79 -11.648 -19.743  15.606
  663    HZ1  LYS  79           HZ1      LYS  79 -12.770 -20.401  13.372
  664    HZ2  LYS  79           HZ2      LYS  79 -13.447 -20.910  14.845
  665    HZ3  LYS  79           HZ3      LYS  79 -12.512 -21.985  13.918
  666    H    ALA  80           HN       ALA  80  -6.309 -22.312  11.957
  667    HA   ALA  80           HA       ALA  80  -7.008 -21.106   9.495
  668    HB1  ALA  80           HB1      ALA  80  -4.224 -22.027  10.204
  669    HB2  ALA  80           HB2      ALA  80  -4.959 -20.621  10.971
  670    HB3  ALA  80           HB3      ALA  80  -4.703 -20.638   9.226
  671    H    LEU  81           HN       LEU  81  -5.561 -24.204  10.361
  672    HA   LEU  81           HA       LEU  81  -5.065 -25.000   7.718
  673    HB2  LEU  81           HB2      LEU  81  -4.021 -26.141   9.629
  674    HB3  LEU  81           HB1      LEU  81  -5.597 -26.701  10.177
  675    HG   LEU  81           HG       LEU  81  -4.179 -28.395   8.877
  676   HD11  LEU  81          HD11      LEU  81  -6.677 -28.203   7.273
  677   HD12  LEU  81          HD12      LEU  81  -6.924 -28.155   9.018
  678   HD13  LEU  81          HD13      LEU  81  -6.073 -29.522   8.287
  679   HD21  LEU  81          HD21      LEU  81  -5.102 -26.886   6.419
  680   HD22  LEU  81          HD22      LEU  81  -3.917 -28.192   6.523
  681   HD23  LEU  81          HD23      LEU  81  -3.522 -26.586   7.145
  682    H    GLY  82           HN       GLY  82  -7.770 -25.721   9.907
  683    HA2  GLY  82           HA2      GLY  82  -9.272 -27.250   8.063
  684    HA3  GLY  82           HA1      GLY  82  -9.907 -26.471   9.510
  685    H    LEU  83           HN       LEU  83  -8.698 -23.897   8.382
  686    HA   LEU  83           HA       LEU  83  -9.495 -22.051   7.282
  687    HB2  LEU  83           HB2      LEU  83 -10.260 -24.208   5.304
  688    HB3  LEU  83           HB1      LEU  83 -10.365 -22.481   4.963
  689    HG   LEU  83           HG       LEU  83  -7.808 -23.789   5.919
  690   HD11  LEU  83          HD11      LEU  83  -7.092 -23.913   3.584
  691   HD12  LEU  83          HD12      LEU  83  -8.641 -23.264   3.050
  692   HD13  LEU  83          HD13      LEU  83  -8.566 -24.857   3.804
  693   HD21  LEU  83          HD21      LEU  83  -7.598 -21.444   6.162
  694   HD22  LEU  83          HD22      LEU  83  -8.549 -21.113   4.715
  695   HD23  LEU  83          HD23      LEU  83  -6.904 -21.732   4.568
  696    H    GLU  84           HN       GLU  84 -11.136 -22.971   9.303
  697    HA   GLU  84           HA       GLU  84 -13.839 -23.313   8.497
  698    HB2  GLU  84           HB2      GLU  84 -12.617 -22.358  11.095
  699    HB3  GLU  84           HB1      GLU  84 -14.339 -22.679  10.875
  700    HG2  GLU  84           HG2      GLU  84 -13.868 -25.000  10.281
  701    HG3  GLU  84           HG1      GLU  84 -12.133 -24.700  10.385
  702    H    HIS  85           HN       HIS  85 -15.063 -21.859   7.500
  703    HA   HIS  85           HA       HIS  85 -15.195 -19.126   8.456
  704    HB2  HIS  85           HB2      HIS  85 -14.180 -19.754   5.676
  705    HB3  HIS  85           HB1      HIS  85 -14.746 -18.164   6.188
  706    HD2  HIS  85           HD2      HIS  85 -13.010 -16.805   8.002
  707    HE1  HIS  85           HE1      HIS  85  -9.887 -19.640   7.803
  708    HE2  HIS  85           HE2      HIS  85 -10.529 -17.326   8.630
  709    H    HIS  86           HN       HIS  86 -16.556 -17.957   6.404
  710    HA   HIS  86           HA       HIS  86 -19.159 -18.961   6.717
  711    HB2  HIS  86           HB2      HIS  86 -18.672 -16.620   6.130
  712    HB3  HIS  86           HB1      HIS  86 -18.095 -17.137   4.546
  713    HD2  HIS  86           HD2      HIS  86 -20.106 -17.330   2.652
  714    HE1  HIS  86           HE1      HIS  86 -23.402 -17.284   5.290
  715    HE2  HIS  86           HE2      HIS  86 -22.710 -17.287   2.847
  716    H    HIS  87           HN       HIS  87 -16.807 -19.371   4.089
  717    HA   HIS  87           HA       HIS  87 -18.606 -20.884   2.432
  718    HB2  HIS  87           HB2      HIS  87 -15.614 -20.465   2.362
  719    HB3  HIS  87           HB1      HIS  87 -16.481 -21.438   1.175
  720    HD2  HIS  87           HD2      HIS  87 -18.030 -19.959  -0.676
  721    HE1  HIS  87           HE1      HIS  87 -16.947 -16.142   0.766
  722    HE2  HIS  87           HE2      HIS  87 -18.133 -17.385  -1.105
  723    H    HIS  88           HN       HIS  88 -18.764 -23.086   2.186
  724    HA   HIS  88           HA       HIS  88 -17.816 -24.695   4.417
  725    HB2  HIS  88           HB2      HIS  88 -19.544 -25.374   2.025
  726    HB3  HIS  88           HB1      HIS  88 -19.166 -26.488   3.338
  727    HD2  HIS  88           HD2      HIS  88 -20.343 -25.772   5.880
  728    HE1  HIS  88           HE1      HIS  88 -22.948 -22.871   4.261
  729    HE2  HIS  88           HE2      HIS  88 -22.401 -24.231   6.335
  730    H    HIS  89           HN       HIS  89 -15.822 -25.449   4.369
  731    HA   HIS  89           HA       HIS  89 -13.764 -26.126   3.539
  732    HB2  HIS  89           HB2      HIS  89 -15.702 -28.087   2.299
  733    HB3  HIS  89           HB1      HIS  89 -13.962 -28.343   2.430
  734    HD2  HIS  89           HD2      HIS  89 -17.123 -28.695   4.623
  735    HE1  HIS  89           HE1      HIS  89 -13.806 -29.210   7.184
  736    HE2  HIS  89           HE2      HIS  89 -16.329 -29.427   6.999
  737    H    HIS  90           HN       HIS  90 -13.056 -27.430   1.159
  738    HA   HIS  90           HA       HIS  90 -12.623 -25.214  -0.553
  739    HB2  HIS  90           HB2      HIS  90 -11.624 -26.817  -2.100
  740    HB3  HIS  90           HB1      HIS  90 -11.096 -27.164  -0.453
  741    HD2  HIS  90           HD2      HIS  90 -12.965 -28.922  -3.339
  742    HE1  HIS  90           HE1      HIS  90 -13.415 -31.368   0.072
  743    HE2  HIS  90           HE2      HIS  90 -13.754 -31.244  -2.442
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  -9.340 -10.364  11.653
    2    H2   MET   1           HT2      MET   1  -9.902 -11.672  12.582
    3    H3   MET   1           HT3      MET   1  -9.408 -11.918  10.975
    4    HA   MET   1           HA       MET   1  -7.183 -11.737  11.461
    5    HB2  MET   1           HB2      MET   1  -6.461 -10.761  13.706
    6    HB3  MET   1           HB1      MET   1  -7.178  -9.617  12.572
    7    HG2  MET   1           HG2      MET   1  -8.871 -11.048  14.622
    8    HG3  MET   1           HG1      MET   1  -8.018  -9.556  15.019
    9    HE1  MET   1           HE1      MET   1 -11.495 -10.456  14.456
   10    HE2  MET   1           HE2      MET   1 -11.816  -8.728  14.562
   11    HE3  MET   1           HE3      MET   1 -10.625  -9.463  15.632
   12    H    GLY   2           HN       GLY   2  -5.814 -12.896  13.190
   13    HA2  GLY   2           HA2      GLY   2  -7.087 -14.573  15.106
   14    HA3  GLY   2           HA1      GLY   2  -6.778 -15.464  13.618
   15    H    VAL   3           HN       VAL   3  -5.489 -16.540  15.576
   16    HA   VAL   3           HA       VAL   3  -3.426 -17.146  16.379
   17    HB   VAL   3           HB       VAL   3  -2.255 -15.432  14.186
   18   HG11  VAL   3          HG11      VAL   3  -1.352 -18.102  15.287
   19   HG12  VAL   3          HG12      VAL   3  -0.809 -16.567  15.961
   20   HG13  VAL   3          HG13      VAL   3  -0.432 -16.978  14.288
   21   HG21  VAL   3          HG21      VAL   3  -3.546 -18.169  14.045
   22   HG22  VAL   3          HG22      VAL   3  -2.431 -17.571  12.817
   23   HG23  VAL   3          HG23      VAL   3  -3.958 -16.737  13.103
   24    H    TRP   4           HN       TRP   4  -2.338 -16.440  18.094
   25    HA   TRP   4           HA       TRP   4  -2.447 -13.629  18.817
   26    HB2  TRP   4           HB2      TRP   4  -1.572 -16.156  20.197
   27    HB3  TRP   4           HB1      TRP   4  -1.172 -14.579  20.882
   28    HD1  TRP   4           HD1      TRP   4  -2.947 -13.503  22.327
   29    HE1  TRP   4           HE1      TRP   4  -5.465 -13.869  22.741
   30    HE3  TRP   4           HE3      TRP   4  -3.907 -17.075  18.808
   31    HZ2  TRP   4           HZ2      TRP   4  -7.603 -15.466  21.713
   32    HZ3  TRP   4           HZ3      TRP   4  -6.191 -17.998  18.544
   33    HH2  TRP   4           HH2      TRP   4  -8.039 -17.199  19.991
   34    H    THR   5           HN       THR   5  -0.734 -12.301  19.201
   35    HA   THR   5           HA       THR   5   1.262 -12.099  17.417
   36    HB   THR   5           HB       THR   5   2.552 -11.109  19.649
   37    HG1  THR   5           HG1      THR   5   1.185 -11.466  21.193
   38   HG21  THR   5          HG21      THR   5   0.267  -9.862  18.095
   39   HG22  THR   5          HG22      THR   5   1.979  -9.784  17.685
   40   HG23  THR   5          HG23      THR   5   1.382  -8.968  19.130
   41    HA   PRO   6           HA       PRO   6   4.505 -15.073  17.765
   42    HB2  PRO   6           HB2      PRO   6   6.274 -12.826  18.710
   43    HB3  PRO   6           HB1      PRO   6   6.581 -14.049  17.463
   44    HG2  PRO   6           HG2      PRO   6   5.912 -11.579  16.787
   45    HG3  PRO   6           HG1      PRO   6   5.274 -12.973  15.892
   46    HD2  PRO   6           HD2      PRO   6   3.869 -11.184  17.825
   47    HD3  PRO   6           HD1      PRO   6   3.226 -12.078  16.433
   48    H    GLU   7           HN       GLU   7   6.458 -15.613  19.430
   49    HA   GLU   7           HA       GLU   7   5.488 -16.626  21.746
   50    HB2  GLU   7           HB2      GLU   7   7.767 -16.473  22.688
   51    HB3  GLU   7           HB1      GLU   7   7.786 -17.011  21.008
   52    HG2  GLU   7           HG2      GLU   7   8.288 -14.705  20.277
   53    HG3  GLU   7           HG1      GLU   7   8.279 -14.172  21.957
   54    H    VAL   8           HN       VAL   8   5.849 -13.281  21.051
   55    HA   VAL   8           HA       VAL   8   6.276 -11.994  23.419
   56    HB   VAL   8           HB       VAL   8   4.219 -11.438  21.269
   57   HG11  VAL   8          HG11      VAL   8   3.328 -10.296  23.141
   58   HG12  VAL   8          HG12      VAL   8   4.283  -9.074  22.301
   59   HG13  VAL   8          HG13      VAL   8   4.929  -9.859  23.743
   60   HG21  VAL   8          HG21      VAL   8   6.592 -11.297  20.613
   61   HG22  VAL   8          HG22      VAL   8   6.898 -10.184  21.947
   62   HG23  VAL   8          HG23      VAL   8   5.844  -9.700  20.617
   63    H    LEU   9           HN       LEU   9   3.549 -13.974  22.516
   64    HA   LEU   9           HA       LEU   9   1.736 -13.151  24.517
   65    HB2  LEU   9           HB2      LEU   9   0.992 -14.505  22.666
   66    HB3  LEU   9           HB1      LEU   9   2.083 -15.809  23.124
   67    HG   LEU   9           HG       LEU   9   0.253 -14.947  25.308
   68   HD11  LEU   9          HD11      LEU   9  -0.824 -16.126  22.743
   69   HD12  LEU   9          HD12      LEU   9  -1.390 -14.699  23.609
   70   HD13  LEU   9          HD13      LEU   9  -1.653 -16.303  24.291
   71   HD21  LEU   9          HD21      LEU   9   0.606 -17.718  24.140
   72   HD22  LEU   9          HD22      LEU   9   0.195 -17.270  25.796
   73   HD23  LEU   9          HD23      LEU   9   1.827 -17.002  25.190
   74    H    LYS  10           HN       LYS  10   4.251 -15.640  24.450
   75    HA   LYS  10           HA       LYS  10   3.767 -16.692  27.032
   76    HB2  LYS  10           HB2      LYS  10   5.139 -17.810  25.278
   77    HB3  LYS  10           HB1      LYS  10   6.384 -16.586  25.524
   78    HG2  LYS  10           HG2      LYS  10   6.627 -17.253  27.866
   79    HG3  LYS  10           HG1      LYS  10   5.313 -18.414  27.695
   80    HD2  LYS  10           HD2      LYS  10   7.285 -19.716  27.469
   81    HD3  LYS  10           HD1      LYS  10   6.712 -19.479  25.820
   82    HE2  LYS  10           HE2      LYS  10   8.350 -17.791  25.389
   83    HE3  LYS  10           HE1      LYS  10   8.763 -17.651  27.097
   84    HZ1  LYS  10           HZ1      LYS  10  10.064 -19.182  25.303
   85    HZ2  LYS  10           HZ2      LYS  10   9.036 -20.314  26.043
   86    HZ3  LYS  10           HZ3      LYS  10  10.116 -19.400  26.984
   87    H    ALA  11           HN       ALA  11   5.841 -14.088  25.836
   88    HA   ALA  11           HA       ALA  11   7.152 -13.530  28.286
   89    HB1  ALA  11           HB1      ALA  11   7.915 -12.707  26.059
   90    HB2  ALA  11           HB2      ALA  11   7.785 -11.423  27.260
   91    HB3  ALA  11           HB3      ALA  11   6.535 -11.609  26.029
   92    H    ARG  12           HN       ARG  12   4.095 -12.513  26.888
   93    HA   ARG  12           HA       ARG  12   3.501 -10.383  28.626
   94    HB2  ARG  12           HB2      ARG  12   2.254 -11.046  26.516
   95    HB3  ARG  12           HB1      ARG  12   1.490 -12.314  27.471
   96    HG2  ARG  12           HG2      ARG  12  -0.080 -10.625  27.756
   97    HG3  ARG  12           HG1      ARG  12   0.966 -10.287  29.133
   98    HD2  ARG  12           HD2      ARG  12   0.562  -8.205  27.968
   99    HD3  ARG  12           HD1      ARG  12   2.236  -8.671  27.681
  100    HE   ARG  12           HE       ARG  12   0.415  -9.623  25.651
  101   HH11  ARG  12          HH21      ARG  12   2.373  -7.012  26.791
  102   HH12  ARG  12          HH22      ARG  12   2.564  -6.288  25.229
  103   HH21  ARG  12          HH11      ARG  12   0.660  -8.683  23.596
  104   HH22  ARG  12          HH12      ARG  12   1.592  -7.234  23.420
  105    H    ALA  13           HN       ALA  13   2.762 -13.857  28.863
  106    HA   ALA  13           HA       ALA  13   1.574 -13.539  31.497
  107    HB1  ALA  13           HB1      ALA  13   2.203 -15.963  29.798
  108    HB2  ALA  13           HB2      ALA  13   0.623 -15.227  30.066
  109    HB3  ALA  13           HB3      ALA  13   1.447 -16.052  31.390
  110    H    SER  14           HN       SER  14   4.495 -14.957  30.088
  111    HA   SER  14           HA       SER  14   5.619 -15.790  32.578
  112    HB2  SER  14           HB2      SER  14   6.246 -16.769  30.368
  113    HB3  SER  14           HB1      SER  14   7.043 -15.253  29.961
  114    HG   SER  14           HG       SER  14   7.704 -16.300  32.423
  115    H    VAL  15           HN       VAL  15   5.270 -12.786  31.058
  116    HA   VAL  15           HA       VAL  15   6.003 -10.676  31.568
  117    HB   VAL  15           HB       VAL  15   7.216 -11.835  34.077
  118   HG11  VAL  15          HG11      VAL  15   6.828  -9.658  34.977
  119   HG12  VAL  15          HG12      VAL  15   5.784  -9.208  33.629
  120   HG13  VAL  15          HG13      VAL  15   7.517  -9.390  33.377
  121   HG21  VAL  15          HG21      VAL  15   5.015 -12.767  34.042
  122   HG22  VAL  15          HG22      VAL  15   4.320 -11.281  33.396
  123   HG23  VAL  15          HG23      VAL  15   4.904 -11.331  35.058
  124    H    ILE  16           HN       ILE  16   8.562 -12.697  33.017
  125    HA   ILE  16           HA       ILE  16  10.571 -11.188  31.478
  126    HB   ILE  16           HB       ILE  16  10.997 -13.138  33.749
  127   HG12  ILE  16          HG12      ILE  16   9.627 -11.297  34.554
  128   HG13  ILE  16          HG11      ILE  16  11.273 -11.067  35.132
  129   HG21  ILE  16          HG21      ILE  16  12.977 -12.769  32.376
  130   HG22  ILE  16          HG22      ILE  16  13.170 -11.914  33.907
  131   HG23  ILE  16          HG23      ILE  16  12.735 -11.024  32.448
  132   HD11  ILE  16          HD11      ILE  16  11.565  -9.616  32.967
  133   HD12  ILE  16          HD12      ILE  16  10.711  -8.929  34.345
  134   HD13  ILE  16          HD13      ILE  16   9.804  -9.566  32.975
  135    H    GLY  17           HN       GLY  17  11.707 -12.069  29.885
  136    HA2  GLY  17           HA2      GLY  17  10.989 -14.311  28.494
  137    HA3  GLY  17           HA1      GLY  17  12.623 -13.649  28.472
  138    H    LYS  18           HN       LYS  18  11.752 -16.452  28.362
  139    HA   LYS  18           HA       LYS  18  13.507 -17.480  30.454
  140    HB2  LYS  18           HB2      LYS  18  11.109 -17.417  31.350
  141    HB3  LYS  18           HB1      LYS  18  10.754 -18.673  30.163
  142    HG2  LYS  18           HG2      LYS  18  12.779 -19.931  31.143
  143    HG3  LYS  18           HG1      LYS  18  12.682 -18.791  32.486
  144    HD2  LYS  18           HD2      LYS  18  10.238 -19.439  32.714
  145    HD3  LYS  18           HD1      LYS  18  10.564 -20.747  31.575
  146    HE2  LYS  18           HE2      LYS  18  11.941 -20.314  34.242
  147    HE3  LYS  18           HE1      LYS  18  10.776 -21.584  33.864
  148    HZ1  LYS  18           HZ1      LYS  18  13.425 -21.212  32.574
  149    HZ2  LYS  18           HZ2      LYS  18  12.298 -22.419  32.177
  150    HZ3  LYS  18           HZ3      LYS  18  13.032 -22.409  33.710
  151    HA   PRO  19           HA       PRO  19  13.435 -19.550  26.187
  152    HB2  PRO  19           HB2      PRO  19  16.088 -18.999  25.601
  153    HB3  PRO  19           HB1      PRO  19  14.724 -17.982  25.095
  154    HG2  PRO  19           HG2      PRO  19  16.572 -17.657  27.415
  155    HG3  PRO  19           HG1      PRO  19  15.934 -16.432  26.304
  156    HD2  PRO  19           HD2      PRO  19  14.910 -16.761  28.783
  157    HD3  PRO  19           HD1      PRO  19  13.878 -16.310  27.407
  158    H    ILE  20           HN       ILE  20  14.143 -21.637  25.885
  159    HA   ILE  20           HA       ILE  20  15.463 -22.918  28.137
  160    HB   ILE  20           HB       ILE  20  14.912 -25.014  26.962
  161   HG12  ILE  20          HG12      ILE  20  13.652 -23.178  24.903
  162   HG13  ILE  20          HG11      ILE  20  15.165 -24.057  24.674
  163   HG21  ILE  20          HG21      ILE  20  12.498 -23.193  26.931
  164   HG22  ILE  20          HG22      ILE  20  13.268 -23.687  28.438
  165   HG23  ILE  20          HG23      ILE  20  12.573 -24.901  27.367
  166   HD11  ILE  20          HD11      ILE  20  12.415 -25.247  25.115
  167   HD12  ILE  20          HD12      ILE  20  13.903 -26.191  25.180
  168   HD13  ILE  20          HD13      ILE  20  13.427 -25.397  23.682
  169    H    GLY  21           HN       GLY  21  17.392 -23.975  28.083
  170    HA2  GLY  21           HA2      GLY  21  19.437 -22.952  26.413
  171    HA3  GLY  21           HA1      GLY  21  19.586 -24.337  27.496
  172    H    GLU  22           HN       GLU  22  20.735 -24.134  24.885
  173    HA   GLU  22           HA       GLU  22  21.156 -25.599  23.163
  174    HB2  GLU  22           HB2      GLU  22  18.708 -27.147  24.062
  175    HB3  GLU  22           HB1      GLU  22  19.958 -27.693  22.964
  176    HG2  GLU  22           HG2      GLU  22  21.642 -27.551  24.728
  177    HG3  GLU  22           HG1      GLU  22  20.446 -26.920  25.855
  178    H    SER  23           HN       SER  23  20.119 -26.335  21.073
  179    HA   SER  23           HA       SER  23  18.719 -24.151  19.926
  180    HB2  SER  23           HB2      SER  23  18.839 -26.874  18.654
  181    HB3  SER  23           HB1      SER  23  18.879 -25.288  17.887
  182    HG   SER  23           HG       SER  23  20.958 -25.541  17.975
  183    H    TYR  24           HN       TYR  24  17.656 -26.872  21.685
  184    HA   TYR  24           HA       TYR  24  15.256 -27.628  20.607
  185    HB2  TYR  24           HB2      TYR  24  16.169 -27.220  23.443
  186    HB3  TYR  24           HB1      TYR  24  14.482 -27.638  23.143
  187    HD1  TYR  24           HD1      TYR  24  17.959 -28.685  22.199
  188    HD2  TYR  24           HD2      TYR  24  13.894 -29.894  22.894
  189    HE1  TYR  24           HE1      TYR  24  18.608 -31.059  21.889
  190    HE2  TYR  24           HE2      TYR  24  14.546 -32.265  22.585
  191    HH   TYR  24           HH       TYR  24  17.282 -33.472  22.892
  192    H    LYS  25           HN       LYS  25  16.123 -24.508  21.744
  193    HA   LYS  25           HA       LYS  25  13.537 -23.493  22.327
  194    HB2  LYS  25           HB2      LYS  25  15.532 -22.329  23.083
  195    HB3  LYS  25           HB1      LYS  25  16.059 -22.090  21.416
  196    HG2  LYS  25           HG2      LYS  25  14.338 -20.546  20.957
  197    HG3  LYS  25           HG1      LYS  25  13.367 -21.075  22.329
  198    HD2  LYS  25           HD2      LYS  25  14.388 -18.916  22.832
  199    HD3  LYS  25           HD1      LYS  25  15.095 -20.159  23.862
  200    HE2  LYS  25           HE2      LYS  25  16.765 -18.568  22.799
  201    HE3  LYS  25           HE1      LYS  25  17.073 -20.279  22.509
  202    HZ1  LYS  25           HZ1      LYS  25  17.215 -18.808  20.509
  203    HZ2  LYS  25           HZ2      LYS  25  15.538 -18.571  20.635
  204    HZ3  LYS  25           HZ3      LYS  25  16.160 -20.126  20.353
  205    H    ARG  26           HN       ARG  26  14.716 -24.705  19.512
  206    HA   ARG  26           HA       ARG  26  13.936 -22.874  17.544
  207    HB2  ARG  26           HB2      ARG  26  15.295 -24.882  17.090
  208    HB3  ARG  26           HB1      ARG  26  13.881 -25.893  17.396
  209    HG2  ARG  26           HG2      ARG  26  12.685 -24.865  15.540
  210    HG3  ARG  26           HG1      ARG  26  14.004 -23.723  15.279
  211    HD2  ARG  26           HD2      ARG  26  14.308 -26.729  15.083
  212    HD3  ARG  26           HD1      ARG  26  14.022 -25.680  13.698
  213    HE   ARG  26           HE       ARG  26  16.224 -24.625  15.025
  214   HH11  ARG  26          HH21      ARG  26  15.298 -27.587  13.495
  215   HH12  ARG  26          HH22      ARG  26  16.907 -27.994  13.000
  216   HH21  ARG  26          HH11      ARG  26  18.334 -25.150  14.379
  217   HH22  ARG  26          HH12      ARG  26  18.627 -26.613  13.500
  218    H    ILE  27           HN       ILE  27  12.092 -24.843  19.668
  219    HA   ILE  27           HA       ILE  27   9.750 -25.222  18.194
  220    HB   ILE  27           HB       ILE  27  10.065 -26.324  20.327
  221   HG12  ILE  27          HG12      ILE  27   7.819 -24.319  20.688
  222   HG13  ILE  27          HG11      ILE  27   7.726 -25.664  19.551
  223   HG21  ILE  27          HG21      ILE  27   9.800 -23.614  21.649
  224   HG22  ILE  27          HG22      ILE  27  11.355 -24.375  21.330
  225   HG23  ILE  27          HG23      ILE  27  10.200 -25.147  22.415
  226   HD11  ILE  27          HD11      ILE  27   7.926 -27.280  21.309
  227   HD12  ILE  27          HD12      ILE  27   6.716 -26.112  21.836
  228   HD13  ILE  27          HD13      ILE  27   8.353 -26.038  22.486
  229    H    LEU  28           HN       LEU  28  10.800 -22.488  20.187
  230    HA   LEU  28           HA       LEU  28   8.391 -20.969  19.570
  231    HB2  LEU  28           HB2      LEU  28  10.827 -20.540  21.273
  232    HB3  LEU  28           HB1      LEU  28   9.790 -19.172  20.871
  233    HG   LEU  28           HG       LEU  28   8.520 -21.693  21.928
  234   HD11  LEU  28          HD11      LEU  28   8.758 -20.662  24.244
  235   HD12  LEU  28          HD12      LEU  28  10.003 -19.618  23.556
  236   HD13  LEU  28          HD13      LEU  28  10.227 -21.368  23.573
  237   HD21  LEU  28          HD21      LEU  28   7.289 -19.591  21.053
  238   HD22  LEU  28          HD22      LEU  28   7.844 -18.807  22.527
  239   HD23  LEU  28          HD23      LEU  28   6.791 -20.220  22.620
  240    H    ALA  29           HN       ALA  29  11.670 -21.265  18.461
  241    HA   ALA  29           HA       ALA  29  11.847 -18.748  17.149
  242    HB1  ALA  29           HB1      ALA  29  13.339 -21.140  16.136
  243    HB2  ALA  29           HB2      ALA  29  13.690 -20.546  17.758
  244    HB3  ALA  29           HB3      ALA  29  13.898 -19.485  16.365
  245    H    LYS  30           HN       LYS  30  10.903 -21.989  16.057
  246    HA   LYS  30           HA       LYS  30  10.502 -21.242  13.335
  247    HB2  LYS  30           HB2      LYS  30   9.512 -23.418  13.072
  248    HB3  LYS  30           HB1      LYS  30  10.880 -23.587  14.171
  249    HG2  LYS  30           HG2      LYS  30   9.274 -23.391  16.094
  250    HG3  LYS  30           HG1      LYS  30   7.949 -23.427  14.933
  251    HD2  LYS  30           HD2      LYS  30   8.963 -25.613  14.064
  252    HD3  LYS  30           HD1      LYS  30   9.961 -25.600  15.520
  253    HE2  LYS  30           HE2      LYS  30   6.988 -25.927  15.271
  254    HE3  LYS  30           HE1      LYS  30   8.125 -26.829  16.268
  255    HZ1  LYS  30           HZ1      LYS  30   8.417 -24.421  17.304
  256    HZ2  LYS  30           HZ2      LYS  30   7.249 -25.521  17.858
  257    HZ3  LYS  30           HZ3      LYS  30   6.811 -24.285  16.781
  258    H    LEU  31           HN       LEU  31   8.618 -21.008  16.220
  259    HA   LEU  31           HA       LEU  31   6.041 -20.861  15.083
  260    HB2  LEU  31           HB2      LEU  31   6.339 -21.162  17.482
  261    HB3  LEU  31           HB1      LEU  31   7.127 -19.591  17.610
  262    HG   LEU  31           HG       LEU  31   5.065 -18.462  16.905
  263   HD11  LEU  31          HD11      LEU  31   2.960 -20.034  16.861
  264   HD12  LEU  31          HD12      LEU  31   4.133 -21.297  16.483
  265   HD13  LEU  31          HD13      LEU  31   3.963 -19.899  15.420
  266   HD21  LEU  31          HD21      LEU  31   5.320 -18.855  19.284
  267   HD22  LEU  31          HD22      LEU  31   4.686 -20.492  19.124
  268   HD23  LEU  31          HD23      LEU  31   3.630 -19.105  18.853
  269    H    GLN  32           HN       GLN  32   8.519 -18.426  15.703
  270    HA   GLN  32           HA       GLN  32   7.044 -16.127  15.110
  271    HB2  GLN  32           HB2      GLN  32   9.978 -16.736  14.692
  272    HB3  GLN  32           HB1      GLN  32   9.271 -15.127  14.535
  273    HG2  GLN  32           HG2      GLN  32   8.506 -15.205  16.856
  274    HG3  GLN  32           HG1      GLN  32   9.119 -16.847  17.028
  275   HE21  GLN  32          HE21      GLN  32   9.911 -13.686  17.731
  276   HE22  GLN  32          HE22      GLN  32  11.601 -13.831  17.767
  277    H    ARG  33           HN       ARG  33   8.742 -18.386  12.989
  278    HA   ARG  33           HA       ARG  33   8.565 -16.934  10.590
  279    HB2  ARG  33           HB2      ARG  33   9.883 -19.066  10.999
  280    HB3  ARG  33           HB1      ARG  33   8.362 -19.941  10.814
  281    HG2  ARG  33           HG2      ARG  33   8.064 -18.880   8.575
  282    HG3  ARG  33           HG1      ARG  33   9.646 -18.121   8.756
  283    HD2  ARG  33           HD2      ARG  33  10.584 -20.465   9.113
  284    HD3  ARG  33           HD1      ARG  33   9.015 -21.071   8.583
  285    HE   ARG  33           HE       ARG  33   9.553 -20.439   6.406
  286   HH11  ARG  33          HH21      ARG  33  11.739 -19.067   8.703
  287   HH12  ARG  33          HH22      ARG  33  12.859 -18.504   7.509
  288   HH21  ARG  33          HH11      ARG  33  11.014 -19.704   4.831
  289   HH22  ARG  33          HH12      ARG  33  12.448 -18.864   5.314
  290    H    ILE  34           HN       ILE  34   6.273 -19.020  12.249
  291    HA   ILE  34           HA       ILE  34   4.365 -19.288  10.189
  292    HB   ILE  34           HB       ILE  34   3.815 -19.166  13.162
  293   HG12  ILE  34          HG12      ILE  34   5.617 -20.748  12.778
  294   HG13  ILE  34          HG11      ILE  34   4.129 -21.649  13.054
  295   HG21  ILE  34          HG21      ILE  34   1.814 -19.133  11.732
  296   HG22  ILE  34          HG22      ILE  34   1.954 -20.682  12.563
  297   HG23  ILE  34          HG23      ILE  34   2.403 -20.551  10.863
  298   HD11  ILE  34          HD11      ILE  34   5.033 -22.725  11.179
  299   HD12  ILE  34          HD12      ILE  34   5.627 -21.225  10.477
  300   HD13  ILE  34          HD13      ILE  34   3.904 -21.599  10.448
  301    H    HIS  35           HN       HIS  35   4.786 -16.839  12.726
  302    HA   HIS  35           HA       HIS  35   2.439 -15.394  12.371
  303    HB2  HIS  35           HB2      HIS  35   4.081 -14.941  14.155
  304    HB3  HIS  35           HB1      HIS  35   5.211 -14.321  12.952
  305    HD2  HIS  35           HD2      HIS  35   4.938 -11.605  12.545
  306    HE1  HIS  35           HE1      HIS  35   1.004 -11.176  14.016
  307    HE2  HIS  35           HE2      HIS  35   3.009  -9.928  13.083
  308    H    ASN  36           HN       ASN  36   5.584 -14.892  10.737
  309    HA   ASN  36           HA       ASN  36   4.623 -12.858   8.994
  310    HB2  ASN  36           HB2      ASN  36   7.012 -13.152   9.517
  311    HB3  ASN  36           HB1      ASN  36   7.003 -14.697   8.671
  312   HD21  ASN  36          HD21      ASN  36   8.629 -12.390   7.893
  313   HD22  ASN  36          HD22      ASN  36   8.108 -11.917   6.348
  314    H    SER  37           HN       SER  37   5.050 -16.358   8.643
  315    HA   SER  37           HA       SER  37   3.934 -16.319   5.940
  316    HB2  SER  37           HB2      SER  37   4.865 -18.677   7.583
  317    HB3  SER  37           HB1      SER  37   4.538 -18.650   5.852
  318    HG   SER  37           HG       SER  37   6.378 -16.846   6.980
  319    H    ASN  38           HN       ASN  38   2.423 -15.766   8.554
  320    HA   ASN  38           HA       ASN  38   0.706 -17.744   9.326
  321    HB2  ASN  38           HB2      ASN  38  -0.960 -15.989   9.758
  322    HB3  ASN  38           HB1      ASN  38   0.650 -15.464  10.247
  323   HD21  ASN  38          HD21      ASN  38  -1.271 -13.489   9.696
  324   HD22  ASN  38          HD22      ASN  38  -0.879 -12.707   8.242
  325    H    ILE  39           HN       ILE  39  -0.562 -19.090   8.272
  326    HA   ILE  39           HA       ILE  39  -1.857 -20.034   6.632
  327    HB   ILE  39           HB       ILE  39  -2.849 -17.256   6.027
  328   HG12  ILE  39          HG12      ILE  39  -3.531 -18.991   8.394
  329   HG13  ILE  39          HG11      ILE  39  -2.698 -17.445   8.462
  330   HG21  ILE  39          HG21      ILE  39  -4.339 -19.872   6.303
  331   HG22  ILE  39          HG22      ILE  39  -3.640 -19.332   4.774
  332   HG23  ILE  39          HG23      ILE  39  -4.905 -18.379   5.548
  333   HD11  ILE  39          HD11      ILE  39  -5.011 -17.023   8.970
  334   HD12  ILE  39          HD12      ILE  39  -5.545 -17.955   7.573
  335   HD13  ILE  39          HD13      ILE  39  -4.715 -16.416   7.341
  336    H    LEU  40           HN       LEU  40   0.573 -19.916   5.685
  337    HA   LEU  40           HA       LEU  40   0.431 -18.594   3.035
  338    HB2  LEU  40           HB2      LEU  40   2.345 -17.939   4.503
  339    HB3  LEU  40           HB1      LEU  40   2.881 -19.618   4.487
  340    HG   LEU  40           HG       LEU  40   3.047 -19.518   2.008
  341   HD11  LEU  40          HD11      LEU  40   1.978 -16.757   2.499
  342   HD12  LEU  40          HD12      LEU  40   1.614 -17.887   1.192
  343   HD13  LEU  40          HD13      LEU  40   3.124 -16.982   1.177
  344   HD21  LEU  40          HD21      LEU  40   5.017 -19.058   3.420
  345   HD22  LEU  40          HD22      LEU  40   4.589 -17.348   3.467
  346   HD23  LEU  40          HD23      LEU  40   5.063 -18.098   1.942
  347    H    ASP  41           HN       ASP  41   0.191 -19.839   1.311
  348    HA   ASP  41           HA       ASP  41  -0.348 -22.512   1.292
  349    HB2  ASP  41           HB2      ASP  41   0.952 -20.838  -0.854
  350    HB3  ASP  41           HB1      ASP  41   0.387 -22.486  -1.123
  351    H    GLU  42           HN       GLU  42   2.826 -21.018   1.039
  352    HA   GLU  42           HA       GLU  42   4.244 -23.443   0.577
  353    HB2  GLU  42           HB2      GLU  42   5.089 -20.765   1.667
  354    HB3  GLU  42           HB1      GLU  42   6.214 -22.072   1.294
  355    HG2  GLU  42           HG2      GLU  42   4.278 -20.858  -0.698
  356    HG3  GLU  42           HG1      GLU  42   5.978 -20.411  -0.568
  357    H    ARG  43           HN       ARG  43   3.271 -21.678   3.469
  358    HA   ARG  43           HA       ARG  43   4.740 -23.507   5.214
  359    HB2  ARG  43           HB2      ARG  43   4.442 -20.971   5.593
  360    HB3  ARG  43           HB1      ARG  43   2.810 -21.373   6.108
  361    HG2  ARG  43           HG2      ARG  43   3.981 -21.441   8.129
  362    HG3  ARG  43           HG1      ARG  43   3.995 -23.134   7.650
  363    HD2  ARG  43           HD2      ARG  43   6.230 -22.261   8.422
  364    HD3  ARG  43           HD1      ARG  43   6.253 -22.941   6.802
  365    HE   ARG  43           HE       ARG  43   5.815 -20.059   6.984
  366   HH11  ARG  43          HH21      ARG  43   7.994 -22.701   6.511
  367   HH12  ARG  43          HH22      ARG  43   9.196 -21.744   5.716
  368   HH21  ARG  43          HH11      ARG  43   7.378 -18.800   5.938
  369   HH22  ARG  43          HH12      ARG  43   8.849 -19.533   5.393
  370    H    GLN  44           HN       GLN  44   1.597 -23.210   3.856
  371    HA   GLN  44           HA       GLN  44  -0.081 -24.288   5.747
  372    HB2  GLN  44           HB2      GLN  44   0.050 -24.562   2.758
  373    HB3  GLN  44           HB1      GLN  44  -1.148 -25.490   3.658
  374    HG2  GLN  44           HG2      GLN  44  -1.952 -23.367   4.694
  375    HG3  GLN  44           HG1      GLN  44  -0.814 -22.476   3.691
  376   HE21  GLN  44          HE21      GLN  44  -3.209 -21.615   3.105
  377   HE22  GLN  44          HE22      GLN  44  -3.896 -22.354   1.742
  378    H    GLY  45           HN       GLY  45   2.313 -25.974   3.764
  379    HA2  GLY  45           HA2      GLY  45   1.529 -28.600   4.516
  380    HA3  GLY  45           HA1      GLY  45   3.083 -28.138   3.826
  381    H    LEU  46           HN       LEU  46   4.080 -26.398   5.645
  382    HA   LEU  46           HA       LEU  46   5.075 -28.132   7.635
  383    HB2  LEU  46           HB2      LEU  46   6.066 -25.902   6.619
  384    HB3  LEU  46           HB1      LEU  46   5.222 -25.147   7.968
  385    HG   LEU  46           HG       LEU  46   7.239 -27.410   8.200
  386   HD11  LEU  46          HD11      LEU  46   7.463 -24.449   8.821
  387   HD12  LEU  46          HD12      LEU  46   8.333 -25.332   7.566
  388   HD13  LEU  46          HD13      LEU  46   8.666 -25.660   9.266
  389   HD21  LEU  46          HD21      LEU  46   5.937 -27.699  10.102
  390   HD22  LEU  46          HD22      LEU  46   5.474 -25.999  10.176
  391   HD23  LEU  46          HD23      LEU  46   7.076 -26.502  10.703
  392    H    MET  47           HN       MET  47   2.637 -25.583   7.683
  393    HA   MET  47           HA       MET  47   2.122 -25.253  10.333
  394    HB2  MET  47           HB2      MET  47   0.910 -24.239   8.306
  395    HB3  MET  47           HB1      MET  47  -0.128 -25.664   8.365
  396    HG2  MET  47           HG2      MET  47  -1.277 -24.095   9.697
  397    HG3  MET  47           HG1      MET  47  -0.416 -25.086  10.876
  398    HE1  MET  47           HE1      MET  47  -0.212 -22.019   8.582
  399    HE2  MET  47           HE2      MET  47   0.218 -20.737   9.711
  400    HE3  MET  47           HE3      MET  47  -1.299 -21.608   9.915
  401    H    HIS  48           HN       HIS  48   0.955 -27.917   8.292
  402    HA   HIS  48           HA       HIS  48  -0.573 -29.203  10.302
  403    HB2  HIS  48           HB2      HIS  48  -0.843 -29.675   7.898
  404    HB3  HIS  48           HB1      HIS  48   0.766 -30.395   7.864
  405    HD2  HIS  48           HD2      HIS  48  -2.851 -31.345   8.930
  406    HE1  HIS  48           HE1      HIS  48  -0.338 -34.566   9.994
  407    HE2  HIS  48           HE2      HIS  48  -2.754 -33.811   9.784
  408    H    GLU  49           HN       GLU  49   2.755 -29.704   9.147
  409    HA   GLU  49           HA       GLU  49   3.320 -31.821  10.984
  410    HB2  GLU  49           HB2      GLU  49   5.131 -30.016   9.367
  411    HB3  GLU  49           HB1      GLU  49   5.702 -31.378  10.334
  412    HG2  GLU  49           HG2      GLU  49   4.290 -32.914   9.039
  413    HG3  GLU  49           HG1      GLU  49   3.669 -31.562   8.091
  414    H    LEU  50           HN       LEU  50   3.291 -28.388  11.181
  415    HA   LEU  50           HA       LEU  50   5.158 -27.942  13.222
  416    HB2  LEU  50           HB2      LEU  50   3.809 -26.249  11.787
  417    HB3  LEU  50           HB1      LEU  50   2.570 -26.415  13.025
  418    HG   LEU  50           HG       LEU  50   4.582 -25.979  14.686
  419   HD11  LEU  50          HD11      LEU  50   5.577 -24.744  12.106
  420   HD12  LEU  50          HD12      LEU  50   6.378 -26.007  13.025
  421   HD13  LEU  50          HD13      LEU  50   6.229 -24.385  13.694
  422   HD21  LEU  50          HD21      LEU  50   4.172 -23.509  14.464
  423   HD22  LEU  50          HD22      LEU  50   2.700 -24.472  14.521
  424   HD23  LEU  50          HD23      LEU  50   3.276 -23.840  12.980
  425    H    MET  51           HN       MET  51   1.755 -28.865  13.344
  426    HA   MET  51           HA       MET  51   1.404 -28.656  16.135
  427    HB2  MET  51           HB2      MET  51   0.046 -30.418  14.084
  428    HB3  MET  51           HB1      MET  51  -0.496 -30.241  15.753
  429    HG2  MET  51           HG2      MET  51  -0.874 -27.874  15.451
  430    HG3  MET  51           HG1      MET  51  -0.145 -27.915  13.846
  431    HE1  MET  51           HE1      MET  51  -2.797 -30.528  15.536
  432    HE2  MET  51           HE2      MET  51  -4.196 -29.505  15.226
  433    HE3  MET  51           HE3      MET  51  -2.858 -28.883  16.186
  434    H    GLU  52           HN       GLU  52   2.612 -31.255  14.066
  435    HA   GLU  52           HA       GLU  52   2.672 -33.298  16.018
  436    HB2  GLU  52           HB2      GLU  52   4.340 -32.860  13.534
  437    HB3  GLU  52           HB1      GLU  52   4.393 -34.331  14.506
  438    HG2  GLU  52           HG2      GLU  52   2.011 -34.711  14.123
  439    HG3  GLU  52           HG1      GLU  52   1.889 -33.197  13.230
  440    H    LEU  53           HN       LEU  53   5.213 -31.053  14.912
  441    HA   LEU  53           HA       LEU  53   7.213 -31.963  16.691
  442    HB2  LEU  53           HB2      LEU  53   6.785 -29.498  15.040
  443    HB3  LEU  53           HB1      LEU  53   8.044 -29.463  16.273
  444    HG   LEU  53           HG       LEU  53   9.049 -31.501  15.296
  445   HD11  LEU  53          HD11      LEU  53   8.225 -32.267  13.070
  446   HD12  LEU  53          HD12      LEU  53   6.853 -31.176  13.236
  447   HD13  LEU  53          HD13      LEU  53   7.047 -32.524  14.355
  448   HD21  LEU  53          HD21      LEU  53   9.852 -29.328  14.524
  449   HD22  LEU  53          HD22      LEU  53   8.547 -29.234  13.341
  450   HD23  LEU  53          HD23      LEU  53   9.816 -30.447  13.162
  451    H    ILE  54           HN       ILE  54   4.744 -29.443  16.975
  452    HA   ILE  54           HA       ILE  54   5.643 -28.375  19.418
  453    HB   ILE  54           HB       ILE  54   2.914 -28.463  18.155
  454   HG12  ILE  54          HG12      ILE  54   4.988 -27.125  17.217
  455   HG13  ILE  54          HG11      ILE  54   3.417 -26.347  17.323
  456   HG21  ILE  54          HG21      ILE  54   2.484 -26.538  19.833
  457   HG22  ILE  54          HG22      ILE  54   3.843 -27.203  20.737
  458   HG23  ILE  54          HG23      ILE  54   2.407 -28.186  20.454
  459   HD11  ILE  54          HD11      ILE  54   4.014 -25.074  19.204
  460   HD12  ILE  54          HD12      ILE  54   5.485 -25.058  18.232
  461   HD13  ILE  54          HD13      ILE  54   5.356 -26.135  19.617
  462    H    ASP  55           HN       ASP  55   3.348 -30.973  18.687
  463    HA   ASP  55           HA       ASP  55   2.633 -31.464  21.393
  464    HB2  ASP  55           HB2      ASP  55   1.221 -32.155  19.505
  465    HB3  ASP  55           HB1      ASP  55   2.472 -33.280  18.978
  466    H    LEU  56           HN       LEU  56   4.975 -32.924  19.169
  467    HA   LEU  56           HA       LEU  56   5.834 -34.970  20.897
  468    HB2  LEU  56           HB2      LEU  56   7.188 -33.557  18.603
  469    HB3  LEU  56           HB1      LEU  56   7.921 -34.920  19.443
  470    HG   LEU  56           HG       LEU  56   5.135 -35.057  18.266
  471   HD11  LEU  56          HD11      LEU  56   6.757 -34.490  16.479
  472   HD12  LEU  56          HD12      LEU  56   6.120 -36.122  16.288
  473   HD13  LEU  56          HD13      LEU  56   7.739 -35.879  16.943
  474   HD21  LEU  56          HD21      LEU  56   7.136 -37.068  19.313
  475   HD22  LEU  56          HD22      LEU  56   5.888 -37.561  18.174
  476   HD23  LEU  56          HD23      LEU  56   5.433 -36.888  19.734
  477    H    TYR  57           HN       TYR  57   7.055 -31.690  20.369
  478    HA   TYR  57           HA       TYR  57   9.246 -31.898  22.158
  479    HB2  TYR  57           HB2      TYR  57   7.754 -29.655  20.841
  480    HB3  TYR  57           HB1      TYR  57   8.857 -29.265  22.161
  481    HD1  TYR  57           HD1      TYR  57   8.944 -31.754  19.338
  482    HD2  TYR  57           HD2      TYR  57  10.900 -28.490  21.335
  483    HE1  TYR  57           HE1      TYR  57  10.871 -31.960  17.793
  484    HE2  TYR  57           HE2      TYR  57  12.823 -28.698  19.788
  485    HH   TYR  57           HH       TYR  57  13.094 -31.374  17.548
  486    H    GLU  58           HN       GLU  58   5.944 -30.668  22.541
  487    HA   GLU  58           HA       GLU  58   6.288 -29.986  25.298
  488    HB2  GLU  58           HB2      GLU  58   3.810 -30.362  23.610
  489    HB3  GLU  58           HB1      GLU  58   3.792 -29.793  25.279
  490    HG2  GLU  58           HG2      GLU  58   5.356 -28.461  23.053
  491    HG3  GLU  58           HG1      GLU  58   3.760 -27.937  23.586
  492    H    GLU  59           HN       GLU  59   5.529 -32.870  23.574
  493    HA   GLU  59           HA       GLU  59   4.424 -34.205  25.919
  494    HB2  GLU  59           HB2      GLU  59   3.450 -34.781  23.798
  495    HB3  GLU  59           HB1      GLU  59   5.027 -35.173  23.125
  496    HG2  GLU  59           HG2      GLU  59   4.087 -36.608  25.602
  497    HG3  GLU  59           HG1      GLU  59   3.459 -37.099  24.034
  498    H    SER  60           HN       SER  60   7.505 -33.597  24.590
  499    HA   SER  60           HA       SER  60   8.950 -35.904  24.985
  500    HB2  SER  60           HB2      SER  60  10.088 -34.037  24.085
  501    HB3  SER  60           HB1      SER  60   9.647 -33.012  25.446
  502    HG   SER  60           HG       SER  60  11.744 -34.713  25.149
  503    H    GLN  61           HN       GLN  61   8.698 -33.309  27.435
  504    HA   GLN  61           HA       GLN  61   9.091 -35.346  29.548
  505    HB2  GLN  61           HB2      GLN  61   9.609 -32.496  30.229
  506    HB3  GLN  61           HB1      GLN  61  10.459 -33.951  30.722
  507    HG2  GLN  61           HG2      GLN  61  11.284 -34.131  28.318
  508    HG3  GLN  61           HG1      GLN  61  10.677 -32.492  28.088
  509   HE21  GLN  61          HE21      GLN  61  11.550 -30.831  29.704
  510   HE22  GLN  61          HE22      GLN  61  13.142 -31.029  30.256
  511    HA   PRO  62           HA       PRO  62   5.507 -32.744  31.053
  512    HB2  PRO  62           HB2      PRO  62   4.753 -30.505  29.692
  513    HB3  PRO  62           HB1      PRO  62   6.147 -30.527  30.788
  514    HG2  PRO  62           HG2      PRO  62   6.099 -30.355  27.857
  515    HG3  PRO  62           HG1      PRO  62   7.397 -29.947  28.980
  516    HD2  PRO  62           HD2      PRO  62   7.094 -32.415  27.430
  517    HD3  PRO  62           HD1      PRO  62   8.441 -31.912  28.446
  518    H    SER  63           HN       SER  63   4.543 -34.748  30.147
  519    HA   SER  63           HA       SER  63   3.038 -34.675  27.712
  520    HB2  SER  63           HB2      SER  63   3.984 -36.725  28.966
  521    HB3  SER  63           HB1      SER  63   2.557 -36.584  29.990
  522    HG   SER  63           HG       SER  63   1.314 -36.637  28.028
  523    H    SER  64           HN       SER  64   2.207 -34.418  31.160
  524    HA   SER  64           HA       SER  64  -0.459 -33.367  30.382
  525    HB2  SER  64           HB2      SER  64  -1.387 -34.365  32.348
  526    HB3  SER  64           HB1      SER  64  -0.459 -35.614  31.523
  527    HG   SER  64           HG       SER  64   0.282 -34.067  33.781
  528    H    GLU  65           HN       GLU  65   2.495 -32.552  31.630
  529    HA   GLU  65           HA       GLU  65   1.806 -30.915  33.839
  530    HB2  GLU  65           HB2      GLU  65   4.146 -30.831  31.933
  531    HB3  GLU  65           HB1      GLU  65   4.022 -29.821  33.369
  532    HG2  GLU  65           HG2      GLU  65   3.889 -31.805  34.790
  533    HG3  GLU  65           HG1      GLU  65   3.911 -32.850  33.370
  534    H    ARG  66           HN       ARG  66   3.493 -29.100  31.514
  535    HA   ARG  66           HA       ARG  66   1.503 -27.023  31.544
  536    HB2  ARG  66           HB2      ARG  66   4.176 -27.298  30.170
  537    HB3  ARG  66           HB1      ARG  66   3.151 -25.869  30.016
  538    HG2  ARG  66           HG2      ARG  66   3.179 -25.562  32.451
  539    HG3  ARG  66           HG1      ARG  66   4.167 -27.012  32.633
  540    HD2  ARG  66           HD2      ARG  66   5.956 -25.975  31.303
  541    HD3  ARG  66           HD1      ARG  66   4.966 -24.534  31.084
  542    HE   ARG  66           HE       ARG  66   5.423 -23.920  33.300
  543   HH11  ARG  66          HH21      ARG  66   6.523 -27.122  32.585
  544   HH12  ARG  66          HH22      ARG  66   7.482 -27.262  34.020
  545   HH21  ARG  66          HH11      ARG  66   6.679 -24.096  35.185
  546   HH22  ARG  66          HH12      ARG  66   7.571 -25.548  35.493
  547    H    LEU  67           HN       LEU  67   2.115 -29.732  29.576
  548    HA   LEU  67           HA       LEU  67   1.530 -28.987  27.014
  549    HB2  LEU  67           HB2      LEU  67   1.979 -31.278  27.606
  550    HB3  LEU  67           HB1      LEU  67   0.469 -31.389  28.499
  551    HG   LEU  67           HG       LEU  67   0.137 -30.462  25.690
  552   HD11  LEU  67          HD11      LEU  67   0.432 -32.727  24.719
  553   HD12  LEU  67          HD12      LEU  67   1.117 -33.278  26.247
  554   HD13  LEU  67          HD13      LEU  67   1.953 -32.049  25.300
  555   HD21  LEU  67          HD21      LEU  67  -1.134 -32.834  27.082
  556   HD22  LEU  67          HD22      LEU  67  -1.790 -31.867  25.760
  557   HD23  LEU  67          HD23      LEU  67  -1.665 -31.180  27.379
  558    H    ASN  68           HN       ASN  68  -0.661 -29.139  29.743
  559    HA   ASN  68           HA       ASN  68  -3.101 -28.938  28.328
  560    HB2  ASN  68           HB2      ASN  68  -3.002 -29.553  30.696
  561    HB3  ASN  68           HB1      ASN  68  -2.389 -27.948  31.097
  562   HD21  ASN  68          HD21      ASN  68  -4.108 -26.888  32.119
  563   HD22  ASN  68          HD22      ASN  68  -5.692 -26.819  31.512
  564    H    ALA  69           HN       ALA  69  -0.858 -26.502  29.594
  565    HA   ALA  69           HA       ALA  69  -2.473 -24.251  28.873
  566    HB1  ALA  69           HB1      ALA  69  -0.389 -22.953  29.270
  567    HB2  ALA  69           HB2      ALA  69   0.481 -24.474  29.477
  568    HB3  ALA  69           HB3      ALA  69  -0.798 -24.028  30.608
  569    H    PHE  70           HN       PHE  70   0.124 -26.050  27.313
  570    HA   PHE  70           HA       PHE  70   0.587 -24.285  25.153
  571    HB2  PHE  70           HB2      PHE  70   1.043 -27.232  25.582
  572    HB3  PHE  70           HB1      PHE  70   1.360 -26.501  24.011
  573    HD1  PHE  70           HD2      PHE  70   2.944 -24.541  23.865
  574    HD2  PHE  70           HD1      PHE  70   2.566 -26.944  27.399
  575    HE1  PHE  70           HE2      PHE  70   5.121 -23.682  24.683
  576    HE2  PHE  70           HE1      PHE  70   4.742 -26.089  28.219
  577    HZ   PHE  70           HZ       PHE  70   6.021 -24.456  26.860
  578    H    ARG  71           HN       ARG  71  -2.058 -26.324  25.893
  579    HA   ARG  71           HA       ARG  71  -3.021 -27.157  23.447
  580    HB2  ARG  71           HB2      ARG  71  -4.529 -26.043  25.819
  581    HB3  ARG  71           HB1      ARG  71  -5.313 -26.806  24.435
  582    HG2  ARG  71           HG2      ARG  71  -4.080 -28.875  24.830
  583    HG3  ARG  71           HG1      ARG  71  -3.193 -28.121  26.152
  584    HD2  ARG  71           HD2      ARG  71  -5.019 -29.467  27.061
  585    HD3  ARG  71           HD1      ARG  71  -5.343 -27.760  27.354
  586    HE   ARG  71           HE       ARG  71  -6.526 -28.549  24.901
  587   HH11  ARG  71          HH21      ARG  71  -6.797 -28.940  28.328
  588   HH12  ARG  71          HH22      ARG  71  -8.513 -29.179  28.303
  589   HH21  ARG  71          HH11      ARG  71  -8.772 -28.858  24.860
  590   HH22  ARG  71          HH12      ARG  71  -9.631 -29.132  26.338
  591    H    GLU  72           HN       GLU  72  -2.841 -23.921  24.751
  592    HA   GLU  72           HA       GLU  72  -4.670 -22.636  23.036
  593    HB2  GLU  72           HB2      GLU  72  -2.116 -21.642  24.331
  594    HB3  GLU  72           HB1      GLU  72  -3.251 -20.598  23.473
  595    HG2  GLU  72           HG2      GLU  72  -5.041 -21.227  25.015
  596    HG3  GLU  72           HG1      GLU  72  -3.964 -22.350  25.842
  597    H    LEU  73           HN       LEU  73  -1.191 -23.284  22.727
  598    HA   LEU  73           HA       LEU  73  -0.882 -22.072  20.191
  599    HB2  LEU  73           HB2      LEU  73   0.879 -23.031  21.962
  600    HB3  LEU  73           HB1      LEU  73   0.785 -24.454  20.934
  601    HG   LEU  73           HG       LEU  73   2.592 -23.050  20.131
  602   HD11  LEU  73          HD11      LEU  73   0.892 -24.152  18.500
  603   HD12  LEU  73          HD12      LEU  73   2.008 -22.954  17.850
  604   HD13  LEU  73          HD13      LEU  73   0.349 -22.497  18.210
  605   HD21  LEU  73          HD21      LEU  73   0.887 -20.739  19.348
  606   HD22  LEU  73          HD22      LEU  73   2.520 -20.765  20.007
  607   HD23  LEU  73          HD23      LEU  73   1.140 -20.907  21.084
  608    H    ARG  74           HN       ARG  74  -1.666 -25.364  21.195
  609    HA   ARG  74           HA       ARG  74  -1.661 -26.530  18.630
  610    HB2  ARG  74           HB2      ARG  74  -1.620 -27.876  20.669
  611    HB3  ARG  74           HB1      ARG  74  -3.231 -27.300  21.099
  612    HG2  ARG  74           HG2      ARG  74  -4.202 -28.349  19.156
  613    HG3  ARG  74           HG1      ARG  74  -2.608 -28.774  18.527
  614    HD2  ARG  74           HD2      ARG  74  -3.606 -30.731  19.578
  615    HD3  ARG  74           HD1      ARG  74  -2.235 -30.190  20.544
  616    HE   ARG  74           HE       ARG  74  -4.628 -28.980  21.486
  617   HH11  ARG  74          HH21      ARG  74  -2.924 -31.985  21.332
  618   HH12  ARG  74          HH22      ARG  74  -3.614 -32.611  22.792
  619   HH21  ARG  74          HH11      ARG  74  -5.537 -29.791  23.405
  620   HH22  ARG  74          HH12      ARG  74  -5.094 -31.369  23.966
  621    H    THR  75           HN       THR  75  -4.167 -24.940  20.536
  622    HA   THR  75           HA       THR  75  -6.339 -25.455  18.843
  623    HB   THR  75           HB       THR  75  -5.827 -23.122  20.631
  624    HG1  THR  75           HG1      THR  75  -7.673 -24.971  21.353
  625   HG21  THR  75          HG21      THR  75  -7.541 -22.483  19.104
  626   HG22  THR  75          HG22      THR  75  -8.359 -22.989  20.581
  627   HG23  THR  75          HG23      THR  75  -8.290 -24.076  19.194
  628    H    GLN  76           HN       GLN  76  -4.057 -22.736  18.934
  629    HA   GLN  76           HA       GLN  76  -5.189 -21.175  16.913
  630    HB2  GLN  76           HB2      GLN  76  -2.306 -21.570  17.752
  631    HB3  GLN  76           HB1      GLN  76  -2.811 -20.352  16.579
  632    HG2  GLN  76           HG2      GLN  76  -4.273 -19.310  18.223
  633    HG3  GLN  76           HG1      GLN  76  -3.917 -20.577  19.391
  634   HE21  GLN  76          HE21      GLN  76  -3.259 -18.382  20.584
  635   HE22  GLN  76          HE22      GLN  76  -1.627 -17.944  20.425
  636    H    LEU  77           HN       LEU  77  -2.657 -23.672  16.659
  637    HA   LEU  77           HA       LEU  77  -2.493 -23.565  13.839
  638    HB2  LEU  77           HB2      LEU  77  -1.615 -25.532  15.930
  639    HB3  LEU  77           HB1      LEU  77  -1.479 -25.951  14.226
  640    HG   LEU  77           HG       LEU  77   0.569 -24.878  15.360
  641   HD11  LEU  77          HD11      LEU  77   0.616 -25.098  13.014
  642   HD12  LEU  77          HD12      LEU  77   0.960 -23.391  13.297
  643   HD13  LEU  77          HD13      LEU  77  -0.642 -23.896  12.791
  644   HD21  LEU  77          HD21      LEU  77  -0.897 -22.287  14.830
  645   HD22  LEU  77          HD22      LEU  77   0.615 -22.533  15.695
  646   HD23  LEU  77          HD23      LEU  77  -0.901 -23.050  16.415
  647    H    GLU  78           HN       GLU  78  -4.306 -25.600  16.054
  648    HA   GLU  78           HA       GLU  78  -5.400 -27.313  14.098
  649    HB2  GLU  78           HB2      GLU  78  -5.414 -27.786  16.530
  650    HB3  GLU  78           HB1      GLU  78  -6.578 -26.479  16.755
  651    HG2  GLU  78           HG2      GLU  78  -8.182 -27.615  15.294
  652    HG3  GLU  78           HG1      GLU  78  -7.017 -28.905  14.995
  653    H    LYS  79           HN       LYS  79  -6.329 -24.152  15.333
  654    HA   LYS  79           HA       LYS  79  -8.917 -24.053  14.184
  655    HB2  LYS  79           HB2      LYS  79  -8.095 -22.533  15.978
  656    HB3  LYS  79           HB1      LYS  79  -7.048 -21.751  14.794
  657    HG2  LYS  79           HG2      LYS  79  -9.033 -21.184  13.424
  658    HG3  LYS  79           HG1      LYS  79 -10.071 -21.936  14.630
  659    HD2  LYS  79           HD2      LYS  79  -8.157 -19.704  15.329
  660    HD3  LYS  79           HD1      LYS  79  -9.797 -19.383  14.772
  661    HE2  LYS  79           HE2      LYS  79 -10.584 -20.945  16.653
  662    HE3  LYS  79           HE1      LYS  79  -8.940 -20.844  17.280
  663    HZ1  LYS  79           HZ1      LYS  79 -10.798 -19.153  17.997
  664    HZ2  LYS  79           HZ2      LYS  79 -10.284 -18.347  16.593
  665    HZ3  LYS  79           HZ3      LYS  79  -9.177 -18.679  17.837
  666    H    ALA  80           HN       ALA  80  -5.726 -22.983  13.092
  667    HA   ALA  80           HA       ALA  80  -6.587 -21.815  10.675
  668    HB1  ALA  80           HB1      ALA  80  -3.902 -23.133  11.126
  669    HB2  ALA  80           HB2      ALA  80  -4.306 -21.527  11.734
  670    HB3  ALA  80           HB3      ALA  80  -4.287 -21.833   9.996
  671    H    LEU  81           HN       LEU  81  -6.115 -25.085  11.665
  672    HA   LEU  81           HA       LEU  81  -5.717 -26.287   9.145
  673    HB2  LEU  81           HB2      LEU  81  -5.691 -27.244  11.655
  674    HB3  LEU  81           HB1      LEU  81  -7.323 -27.733  11.220
  675    HG   LEU  81           HG       LEU  81  -5.809 -29.545  10.668
  676   HD11  LEU  81          HD11      LEU  81  -6.497 -29.934   8.446
  677   HD12  LEU  81          HD12      LEU  81  -6.374 -28.231   8.011
  678   HD13  LEU  81          HD13      LEU  81  -7.694 -28.789   9.041
  679   HD21  LEU  81          HD21      LEU  81  -4.277 -28.081   8.580
  680   HD22  LEU  81          HD22      LEU  81  -3.723 -29.277   9.751
  681   HD23  LEU  81          HD23      LEU  81  -3.898 -27.594  10.231
  682    H    GLY  82           HN       GLY  82  -8.651 -25.457  10.933
  683    HA2  GLY  82           HA2      GLY  82 -10.490 -26.639   9.138
  684    HA3  GLY  82           HA1      GLY  82 -10.856 -25.352  10.286
  685    H    LEU  83           HN       LEU  83  -8.542 -23.834   8.945
  686    HA   LEU  83           HA       LEU  83  -8.423 -22.084   7.455
  687    HB2  LEU  83           HB2      LEU  83  -9.632 -24.238   5.711
  688    HB3  LEU  83           HB1      LEU  83  -8.968 -22.726   5.097
  689    HG   LEU  83           HG       LEU  83  -7.379 -24.635   6.833
  690   HD11  LEU  83          HD11      LEU  83  -7.726 -24.554   3.833
  691   HD12  LEU  83          HD12      LEU  83  -7.850 -25.940   4.917
  692   HD13  LEU  83          HD13      LEU  83  -6.275 -25.227   4.576
  693   HD21  LEU  83          HD21      LEU  83  -5.485 -23.388   5.513
  694   HD22  LEU  83          HD22      LEU  83  -6.269 -22.548   6.845
  695   HD23  LEU  83          HD23      LEU  83  -6.729 -22.186   5.183
  696    H    GLU  84           HN       GLU  84 -10.928 -22.457   9.057
  697    HA   GLU  84           HA       GLU  84 -13.066 -21.498   7.364
  698    HB2  GLU  84           HB2      GLU  84 -13.499 -22.900   9.362
  699    HB3  GLU  84           HB1      GLU  84 -12.882 -21.601  10.384
  700    HG2  GLU  84           HG2      GLU  84 -14.631 -20.093   9.589
  701    HG3  GLU  84           HG1      GLU  84 -15.217 -21.323   8.470
  702    H    HIS  85           HN       HIS  85 -12.974 -19.494   6.576
  703    HA   HIS  85           HA       HIS  85 -12.741 -17.247   8.386
  704    HB2  HIS  85           HB2      HIS  85 -10.666 -17.730   6.239
  705    HB3  HIS  85           HB1      HIS  85 -10.901 -16.184   7.055
  706    HD2  HIS  85           HD2      HIS  85  -9.956 -16.091   9.723
  707    HE1  HIS  85           HE1      HIS  85  -8.416 -20.021   9.808
  708    HE2  HIS  85           HE2      HIS  85  -8.526 -17.817  11.064
  709    H    HIS  86           HN       HIS  86 -14.414 -18.636   6.153
  710    HA   HIS  86           HA       HIS  86 -14.670 -16.569   4.148
  711    HB2  HIS  86           HB2      HIS  86 -16.659 -17.965   3.436
  712    HB3  HIS  86           HB1      HIS  86 -15.111 -18.811   3.433
  713    HD2  HIS  86           HD2      HIS  86 -15.010 -21.029   5.121
  714    HE1  HIS  86           HE1      HIS  86 -18.692 -20.389   7.083
  715    HE2  HIS  86           HE2      HIS  86 -16.750 -22.001   6.807
  716    H    HIS  87           HN       HIS  87 -16.584 -15.305   3.796
  717    HA   HIS  87           HA       HIS  87 -17.642 -14.186   6.219
  718    HB2  HIS  87           HB2      HIS  87 -18.276 -13.695   3.301
  719    HB3  HIS  87           HB1      HIS  87 -19.012 -12.794   4.627
  720    HD2  HIS  87           HD2      HIS  87 -17.329 -10.882   5.839
  721    HE1  HIS  87           HE1      HIS  87 -13.951 -11.610   3.414
  722    HE2  HIS  87           HE2      HIS  87 -14.936 -10.071   5.178
  723    H    HIS  88           HN       HIS  88 -19.754 -14.244   6.988
  724    HA   HIS  88           HA       HIS  88 -21.136 -16.672   6.796
  725    HB2  HIS  88           HB2      HIS  88 -22.003 -13.930   7.722
  726    HB3  HIS  88           HB1      HIS  88 -23.048 -15.346   7.833
  727    HD2  HIS  88           HD2      HIS  88 -22.395 -17.132   9.905
  728    HE1  HIS  88           HE1      HIS  88 -18.973 -15.080  11.281
  729    HE2  HIS  88           HE2      HIS  88 -20.569 -16.994  11.766
  730    H    HIS  89           HN       HIS  89 -21.739 -13.543   5.193
  731    HA   HIS  89           HA       HIS  89 -23.042 -14.925   2.990
  732    HB2  HIS  89           HB2      HIS  89 -24.854 -14.562   4.685
  733    HB3  HIS  89           HB1      HIS  89 -24.573 -12.827   4.540
  734    HD2  HIS  89           HD2      HIS  89 -25.976 -11.661   2.456
  735    HE1  HIS  89           HE1      HIS  89 -26.919 -15.190   0.339
  736    HE2  HIS  89           HE2      HIS  89 -27.264 -12.676   0.424
  737    H    HIS  90           HN       HIS  90 -21.120 -12.470   4.169
  738    HA   HIS  90           HA       HIS  90 -20.327 -10.467   3.305
  739    HB2  HIS  90           HB2      HIS  90 -19.245 -12.085   1.819
  740    HB3  HIS  90           HB1      HIS  90 -20.659 -12.083   0.765
  741    HD2  HIS  90           HD2      HIS  90 -20.533 -10.147  -1.213
  742    HE1  HIS  90           HE1      HIS  90 -17.559  -7.710   0.533
  743    HE2  HIS  90           HE2      HIS  90 -19.018  -8.042  -1.519
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  -6.974 -12.266  13.603
    2    H2   MET   1           HT2      MET   1  -5.668 -11.471  14.343
    3    H3   MET   1           HT3      MET   1  -5.684 -13.167  14.239
    4    HA   MET   1           HA       MET   1  -5.863 -12.661  11.681
    5    HB2  MET   1           HB2      MET   1  -4.482 -10.255  12.903
    6    HB3  MET   1           HB1      MET   1  -4.388 -10.685  11.194
    7    HG2  MET   1           HG2      MET   1  -6.151  -9.081  11.367
    8    HG3  MET   1           HG1      MET   1  -6.943 -10.646  11.184
    9    HE1  MET   1           HE1      MET   1  -8.709  -7.974  13.770
   10    HE2  MET   1           HE2      MET   1  -8.567  -8.372  12.060
   11    HE3  MET   1           HE3      MET   1  -7.285  -7.461  12.853
   12    H    GLY   2           HN       GLY   2  -4.619 -14.394  11.325
   13    HA2  GLY   2           HA2      GLY   2  -2.716 -15.679  11.112
   14    HA3  GLY   2           HA1      GLY   2  -1.784 -14.266  11.600
   15    H    VAL   3           HN       VAL   3  -0.422 -15.503  12.939
   16    HA   VAL   3           HA       VAL   3  -1.670 -16.435  15.467
   17    HB   VAL   3           HB       VAL   3  -0.860 -18.352  14.172
   18   HG11  VAL   3          HG11      VAL   3   1.414 -18.552  13.455
   19   HG12  VAL   3          HG12      VAL   3   1.894 -17.108  14.348
   20   HG13  VAL   3          HG13      VAL   3   0.872 -16.961  12.917
   21   HG21  VAL   3          HG21      VAL   3   1.065 -17.730  16.430
   22   HG22  VAL   3          HG22      VAL   3   0.532 -19.321  15.891
   23   HG23  VAL   3          HG23      VAL   3  -0.606 -18.233  16.684
   24    H    TRP   4           HN       TRP   4  -0.890 -15.573  17.267
   25    HA   TRP   4           HA       TRP   4   1.654 -14.056  17.158
   26    HB2  TRP   4           HB2      TRP   4  -0.969 -13.309  18.465
   27    HB3  TRP   4           HB1      TRP   4   0.559 -12.503  18.825
   28    HD1  TRP   4           HD1      TRP   4  -1.915 -13.087  15.953
   29    HE1  TRP   4           HE1      TRP   4  -1.527 -11.282  14.153
   30    HE3  TRP   4           HE3      TRP   4   2.243 -10.820  17.860
   31    HZ2  TRP   4           HZ2      TRP   4   0.306  -9.156  13.597
   32    HZ3  TRP   4           HZ3      TRP   4   3.288  -8.909  16.678
   33    HH2  TRP   4           HH2      TRP   4   2.325  -8.076  14.551
   34    H    THR   5           HN       THR   5   3.093 -14.933  18.430
   35    HA   THR   5           HA       THR   5   2.583 -15.487  21.176
   36    HB   THR   5           HB       THR   5   3.368 -17.923  19.587
   37    HG1  THR   5           HG1      THR   5   1.350 -17.421  18.852
   38   HG21  THR   5          HG21      THR   5   1.988 -17.713  22.261
   39   HG22  THR   5          HG22      THR   5   3.744 -17.650  22.114
   40   HG23  THR   5          HG23      THR   5   2.866 -19.089  21.594
   41    HA   PRO   6           HA       PRO   6   7.014 -14.853  19.518
   42    HB2  PRO   6           HB2      PRO   6   7.304 -12.188  20.099
   43    HB3  PRO   6           HB1      PRO   6   6.662 -12.766  18.547
   44    HG2  PRO   6           HG2      PRO   6   5.177 -11.807  20.954
   45    HG3  PRO   6           HG1      PRO   6   4.924 -11.391  19.254
   46    HD2  PRO   6           HD2      PRO   6   3.373 -13.223  20.505
   47    HD3  PRO   6           HD1      PRO   6   3.831 -13.388  18.791
   48    H    GLU   7           HN       GLU   7   8.833 -13.744  20.936
   49    HA   GLU   7           HA       GLU   7   9.045 -15.038  23.371
   50    HB2  GLU   7           HB2      GLU   7  10.309 -12.438  22.461
   51    HB3  GLU   7           HB1      GLU   7  10.786 -13.307  23.922
   52    HG2  GLU   7           HG2      GLU   7  11.352 -15.284  22.602
   53    HG3  GLU   7           HG1      GLU   7  10.799 -14.488  21.131
   54    H    VAL   8           HN       VAL   8   7.078 -12.338  22.589
   55    HA   VAL   8           HA       VAL   8   7.024 -10.890  24.986
   56    HB   VAL   8           HB       VAL   8   4.690 -11.513  23.157
   57   HG11  VAL   8          HG11      VAL   8   3.835  -9.333  23.961
   58   HG12  VAL   8          HG12      VAL   8   5.189  -9.236  25.087
   59   HG13  VAL   8          HG13      VAL   8   3.984 -10.512  25.262
   60   HG21  VAL   8          HG21      VAL   8   5.333  -9.617  21.849
   61   HG22  VAL   8          HG22      VAL   8   6.804 -10.562  22.072
   62   HG23  VAL   8          HG23      VAL   8   6.534  -9.115  23.042
   63    H    LEU   9           HN       LEU   9   5.089 -13.704  23.965
   64    HA   LEU   9           HA       LEU   9   3.703 -13.934  26.447
   65    HB2  LEU   9           HB2      LEU   9   2.760 -14.931  24.437
   66    HB3  LEU   9           HB1      LEU   9   4.169 -15.976  24.256
   67    HG   LEU   9           HG       LEU   9   3.639 -17.111  26.369
   68   HD11  LEU   9          HD11      LEU   9   1.540 -14.954  26.543
   69   HD12  LEU   9          HD12      LEU   9   2.650 -15.530  27.786
   70   HD13  LEU   9          HD13      LEU   9   1.260 -16.511  27.327
   71   HD21  LEU   9          HD21      LEU   9   2.617 -18.114  24.470
   72   HD22  LEU   9          HD22      LEU   9   1.385 -16.855  24.369
   73   HD23  LEU   9          HD23      LEU   9   1.346 -18.024  25.690
   74    H    LYS  10           HN       LYS  10   6.702 -15.191  25.150
   75    HA   LYS  10           HA       LYS  10   7.205 -17.205  27.040
   76    HB2  LYS  10           HB2      LYS  10   8.496 -16.847  24.931
   77    HB3  LYS  10           HB1      LYS  10   9.230 -15.427  25.667
   78    HG2  LYS  10           HG2      LYS  10  10.732 -17.310  25.907
   79    HG3  LYS  10           HG1      LYS  10  10.112 -16.862  27.495
   80    HD2  LYS  10           HD2      LYS  10   8.846 -18.791  27.710
   81    HD3  LYS  10           HD1      LYS  10   8.550 -18.925  25.976
   82    HE2  LYS  10           HE2      LYS  10  10.841 -19.662  25.619
   83    HE3  LYS  10           HE1      LYS  10  11.189 -19.485  27.340
   84    HZ1  LYS  10           HZ1      LYS  10   9.473 -21.131  27.816
   85    HZ2  LYS  10           HZ2      LYS  10  10.666 -21.780  26.793
   86    HZ3  LYS  10           HZ3      LYS  10   9.162 -21.310  26.158
   87    H    ALA  11           HN       ALA  11   8.094 -13.763  27.021
   88    HA   ALA  11           HA       ALA  11   9.459 -13.809  29.509
   89    HB1  ALA  11           HB1      ALA  11   9.410 -11.414  29.388
   90    HB2  ALA  11           HB2      ALA  11   8.044 -11.441  28.273
   91    HB3  ALA  11           HB3      ALA  11   9.627 -12.009  27.741
   92    H    ARG  12           HN       ARG  12   6.117 -13.106  28.578
   93    HA   ARG  12           HA       ARG  12   5.232 -12.335  31.165
   94    HB2  ARG  12           HB2      ARG  12   3.782 -13.384  28.730
   95    HB3  ARG  12           HB1      ARG  12   2.949 -12.862  30.191
   96    HG2  ARG  12           HG2      ARG  12   4.954 -11.011  28.908
   97    HG3  ARG  12           HG1      ARG  12   3.344 -11.151  28.209
   98    HD2  ARG  12           HD2      ARG  12   3.868 -10.500  31.124
   99    HD3  ARG  12           HD1      ARG  12   3.547  -9.296  29.881
  100    HE   ARG  12           HE       ARG  12   1.493 -11.220  29.807
  101   HH11  ARG  12          HH21      ARG  12   2.810  -8.753  31.835
  102   HH12  ARG  12          HH22      ARG  12   1.298  -8.371  32.590
  103   HH21  ARG  12          HH11      ARG  12  -0.493 -10.735  30.793
  104   HH22  ARG  12          HH12      ARG  12  -0.574  -9.495  32.000
  105    H    ALA  13           HN       ALA  13   5.159 -15.404  29.399
  106    HA   ALA  13           HA       ALA  13   3.839 -16.863  31.464
  107    HB1  ALA  13           HB1      ALA  13   3.994 -17.504  29.006
  108    HB2  ALA  13           HB2      ALA  13   4.304 -18.803  30.160
  109    HB3  ALA  13           HB3      ALA  13   5.650 -18.012  29.338
  110    H    SER  14           HN       SER  14   7.219 -16.477  30.479
  111    HA   SER  14           HA       SER  14   8.200 -18.128  32.646
  112    HB2  SER  14           HB2      SER  14   9.335 -17.926  30.405
  113    HB3  SER  14           HB1      SER  14   9.775 -16.279  30.847
  114    HG   SER  14           HG       SER  14  11.195 -17.029  32.234
  115    H    VAL  15           HN       VAL  15   7.134 -14.956  32.330
  116    HA   VAL  15           HA       VAL  15   7.120 -13.168  33.763
  117    HB   VAL  15           HB       VAL  15   8.599 -14.893  35.752
  118   HG11  VAL  15          HG11      VAL  15   8.338 -12.489  36.270
  119   HG12  VAL  15          HG12      VAL  15   7.402 -13.499  37.371
  120   HG13  VAL  15          HG13      VAL  15   6.594 -12.642  36.059
  121   HG21  VAL  15          HG21      VAL  15   6.217 -15.434  36.540
  122   HG22  VAL  15          HG22      VAL  15   6.756 -16.250  35.072
  123   HG23  VAL  15          HG23      VAL  15   5.679 -14.859  34.962
  124    H    ILE  16           HN       ILE  16  10.162 -14.934  33.497
  125    HA   ILE  16           HA       ILE  16  11.587 -12.381  33.192
  126    HB   ILE  16           HB       ILE  16  11.830 -13.163  35.552
  127   HG12  ILE  16          HG12      ILE  16  14.398 -13.442  33.973
  128   HG13  ILE  16          HG11      ILE  16  13.607 -11.892  34.261
  129   HG21  ILE  16          HG21      ILE  16  11.696 -15.619  34.909
  130   HG22  ILE  16          HG22      ILE  16  12.981 -15.210  36.046
  131   HG23  ILE  16          HG23      ILE  16  13.361 -15.479  34.345
  132   HD11  ILE  16          HD11      ILE  16  14.604 -13.813  36.381
  133   HD12  ILE  16          HD12      ILE  16  13.721 -12.321  36.709
  134   HD13  ILE  16          HD13      ILE  16  15.317 -12.255  35.964
  135    H    GLY  17           HN       GLY  17  13.425 -12.500  31.896
  136    HA2  GLY  17           HA2      GLY  17  13.394 -14.155  29.698
  137    HA3  GLY  17           HA1      GLY  17  14.845 -13.345  30.286
  138    H    LYS  18           HN       LYS  18  13.881 -16.216  29.316
  139    HA   LYS  18           HA       LYS  18  15.975 -17.652  30.591
  140    HB2  LYS  18           HB2      LYS  18  14.223 -17.543  32.428
  141    HB3  LYS  18           HB1      LYS  18  13.212 -18.563  31.401
  142    HG2  LYS  18           HG2      LYS  18  15.174 -20.177  31.274
  143    HG3  LYS  18           HG1      LYS  18  15.936 -19.220  32.545
  144    HD2  LYS  18           HD2      LYS  18  14.068 -19.636  34.045
  145    HD3  LYS  18           HD1      LYS  18  13.191 -20.480  32.768
  146    HE2  LYS  18           HE2      LYS  18  14.370 -22.009  34.392
  147    HE3  LYS  18           HE1      LYS  18  14.838 -22.245  32.708
  148    HZ1  LYS  18           HZ1      LYS  18  16.352 -20.355  34.370
  149    HZ2  LYS  18           HZ2      LYS  18  16.867 -21.269  33.034
  150    HZ3  LYS  18           HZ3      LYS  18  16.642 -22.017  34.542
  151    HA   PRO  19           HA       PRO  19  13.988 -19.207  26.594
  152    HB2  PRO  19           HB2      PRO  19  16.216 -18.856  25.009
  153    HB3  PRO  19           HB1      PRO  19  14.952 -17.627  25.217
  154    HG2  PRO  19           HG2      PRO  19  17.602 -17.866  26.564
  155    HG3  PRO  19           HG1      PRO  19  16.791 -16.424  25.929
  156    HD2  PRO  19           HD2      PRO  19  16.808 -17.006  28.575
  157    HD3  PRO  19           HD1      PRO  19  15.419 -16.208  27.805
  158    H    ILE  20           HN       ILE  20  14.193 -21.293  25.905
  159    HA   ILE  20           HA       ILE  20  16.115 -22.974  27.317
  160    HB   ILE  20           HB       ILE  20  13.972 -23.845  25.364
  161   HG12  ILE  20          HG12      ILE  20  13.737 -23.647  28.389
  162   HG13  ILE  20          HG11      ILE  20  13.096 -22.420  27.291
  163   HG21  ILE  20          HG21      ILE  20  15.449 -25.667  25.809
  164   HG22  ILE  20          HG22      ILE  20  14.129 -25.909  26.940
  165   HG23  ILE  20          HG23      ILE  20  15.640 -25.207  27.499
  166   HD11  ILE  20          HD11      ILE  20  11.842 -24.351  26.132
  167   HD12  ILE  20          HD12      ILE  20  11.252 -23.849  27.714
  168   HD13  ILE  20          HD13      ILE  20  12.232 -25.306  27.563
  169    H    GLY  21           HN       GLY  21  17.096 -24.813  25.986
  170    HA2  GLY  21           HA2      GLY  21  19.040 -23.944  24.283
  171    HA3  GLY  21           HA1      GLY  21  18.375 -25.574  24.221
  172    H    GLU  22           HN       GLU  22  19.335 -23.935  22.022
  173    HA   GLU  22           HA       GLU  22  17.346 -22.709  20.520
  174    HB2  GLU  22           HB2      GLU  22  18.750 -23.245  18.553
  175    HB3  GLU  22           HB1      GLU  22  19.686 -22.583  19.893
  176    HG2  GLU  22           HG2      GLU  22  20.328 -24.868  20.572
  177    HG3  GLU  22           HG1      GLU  22  19.403 -25.526  19.223
  178    H    SER  23           HN       SER  23  18.071 -26.114  20.935
  179    HA   SER  23           HA       SER  23  16.605 -27.163  18.788
  180    HB2  SER  23           HB2      SER  23  16.512 -29.228  20.111
  181    HB3  SER  23           HB1      SER  23  18.120 -28.512  20.159
  182    HG   SER  23           HG       SER  23  16.584 -27.496  22.119
  183    H    TYR  24           HN       TYR  24  15.601 -26.265  22.066
  184    HA   TYR  24           HA       TYR  24  12.845 -27.069  21.567
  185    HB2  TYR  24           HB2      TYR  24  14.141 -25.666  23.908
  186    HB3  TYR  24           HB1      TYR  24  12.450 -26.159  23.848
  187    HD1  TYR  24           HD2      TYR  24  15.944 -27.344  23.989
  188    HD2  TYR  24           HD1      TYR  24  11.808 -28.502  23.958
  189    HE1  TYR  24           HE2      TYR  24  16.579 -29.634  24.697
  190    HE2  TYR  24           HE1      TYR  24  12.444 -30.792  24.666
  191    HH   TYR  24           HH       TYR  24  15.149 -31.603  26.049
  192    H    LYS  25           HN       LYS  25  14.666 -24.049  22.029
  193    HA   LYS  25           HA       LYS  25  12.448 -22.307  21.777
  194    HB2  LYS  25           HB2      LYS  25  14.707 -21.680  22.693
  195    HB3  LYS  25           HB1      LYS  25  15.328 -21.726  21.046
  196    HG2  LYS  25           HG2      LYS  25  13.841 -19.962  20.355
  197    HG3  LYS  25           HG1      LYS  25  13.001 -19.990  21.904
  198    HD2  LYS  25           HD2      LYS  25  15.095 -19.303  23.028
  199    HD3  LYS  25           HD1      LYS  25  15.908 -19.249  21.464
  200    HE2  LYS  25           HE2      LYS  25  14.333 -17.523  20.691
  201    HE3  LYS  25           HE1      LYS  25  13.493 -17.586  22.242
  202    HZ1  LYS  25           HZ1      LYS  25  16.365 -16.913  21.922
  203    HZ2  LYS  25           HZ2      LYS  25  15.453 -16.835  23.353
  204    HZ3  LYS  25           HZ3      LYS  25  15.128 -15.763  22.075
  205    H    ARG  26           HN       ARG  26  13.737 -24.413  19.558
  206    HA   ARG  26           HA       ARG  26  13.814 -22.934  17.185
  207    HB2  ARG  26           HB2      ARG  26  14.656 -25.194  17.294
  208    HB3  ARG  26           HB1      ARG  26  13.054 -25.814  17.681
  209    HG2  ARG  26           HG2      ARG  26  13.651 -26.142  15.276
  210    HG3  ARG  26           HG1      ARG  26  12.218 -25.135  15.473
  211    HD2  ARG  26           HD2      ARG  26  14.094 -24.358  13.827
  212    HD3  ARG  26           HD1      ARG  26  13.369 -23.172  14.909
  213    HE   ARG  26           HE       ARG  26  15.389 -23.057  16.076
  214   HH11  ARG  26          HH21      ARG  26  15.318 -25.730  13.888
  215   HH12  ARG  26          HH22      ARG  26  17.002 -26.097  14.059
  216   HH21  ARG  26          HH11      ARG  26  17.602 -23.534  16.317
  217   HH22  ARG  26          HH12      ARG  26  18.296 -24.853  15.434
  218    H    ILE  27           HN       ILE  27  11.131 -24.586  18.809
  219    HA   ILE  27           HA       ILE  27   9.246 -24.002  16.779
  220    HB   ILE  27           HB       ILE  27   7.587 -24.811  18.308
  221   HG12  ILE  27          HG12      ILE  27   9.670 -24.179  20.422
  222   HG13  ILE  27          HG11      ILE  27   8.039 -23.522  20.285
  223   HG21  ILE  27          HG21      ILE  27   9.416 -26.395  17.444
  224   HG22  ILE  27          HG22      ILE  27   8.489 -26.951  18.838
  225   HG23  ILE  27          HG23      ILE  27  10.112 -26.295  19.061
  226   HD11  ILE  27          HD11      ILE  27   7.260 -25.989  20.550
  227   HD12  ILE  27          HD12      ILE  27   7.828 -25.133  21.984
  228   HD13  ILE  27          HD13      ILE  27   8.891 -26.271  21.160
  229    H    LEU  28           HN       LEU  28  10.093 -22.474  19.841
  230    HA   LEU  28           HA       LEU  28   8.117 -20.464  19.784
  231    HB2  LEU  28           HB2      LEU  28   9.335 -21.013  21.832
  232    HB3  LEU  28           HB1      LEU  28  10.847 -20.475  21.103
  233    HG   LEU  28           HG       LEU  28   9.981 -18.183  20.926
  234   HD11  LEU  28          HD11      LEU  28   7.672 -18.327  20.575
  235   HD12  LEU  28          HD12      LEU  28   7.737 -17.799  22.254
  236   HD13  LEU  28          HD13      LEU  28   7.441 -19.497  21.876
  237   HD21  LEU  28          HD21      LEU  28  11.048 -19.051  23.061
  238   HD22  LEU  28          HD22      LEU  28   9.418 -19.226  23.714
  239   HD23  LEU  28          HD23      LEU  28  10.020 -17.632  23.260
  240    H    ALA  29           HN       ALA  29  11.467 -20.528  18.645
  241    HA   ALA  29           HA       ALA  29  11.519 -17.821  17.769
  242    HB1  ALA  29           HB1      ALA  29  13.221 -20.208  17.020
  243    HB2  ALA  29           HB2      ALA  29  13.598 -18.965  18.213
  244    HB3  ALA  29           HB3      ALA  29  13.550 -18.555  16.499
  245    H    LYS  30           HN       LYS  30  10.211 -20.708  16.487
  246    HA   LYS  30           HA       LYS  30  10.303 -20.131  13.727
  247    HB2  LYS  30           HB2      LYS  30   9.656 -22.341  14.872
  248    HB3  LYS  30           HB1      LYS  30   8.051 -21.634  15.054
  249    HG2  LYS  30           HG2      LYS  30   7.799 -22.684  12.989
  250    HG3  LYS  30           HG1      LYS  30   8.345 -21.095  12.462
  251    HD2  LYS  30           HD2      LYS  30  10.689 -21.969  12.394
  252    HD3  LYS  30           HD1      LYS  30  10.068 -23.565  12.814
  253    HE2  LYS  30           HE2      LYS  30   8.605 -23.467  10.795
  254    HE3  LYS  30           HE1      LYS  30   9.385 -21.952  10.347
  255    HZ1  LYS  30           HZ1      LYS  30  10.499 -24.668  10.395
  256    HZ2  LYS  30           HZ2      LYS  30  11.536 -23.352  10.677
  257    HZ3  LYS  30           HZ3      LYS  30  10.667 -23.456   9.221
  258    H    LEU  31           HN       LEU  31   8.319 -18.954  16.300
  259    HA   LEU  31           HA       LEU  31   6.084 -18.058  14.854
  260    HB2  LEU  31           HB2      LEU  31   7.398 -17.226  17.425
  261    HB3  LEU  31           HB1      LEU  31   6.047 -16.289  16.790
  262    HG   LEU  31           HG       LEU  31   5.373 -18.093  18.405
  263   HD11  LEU  31          HD11      LEU  31   4.159 -18.982  15.820
  264   HD12  LEU  31          HD12      LEU  31   4.025 -17.266  16.196
  265   HD13  LEU  31          HD13      LEU  31   3.381 -18.463  17.314
  266   HD21  LEU  31          HD21      LEU  31   7.188 -19.673  17.546
  267   HD22  LEU  31          HD22      LEU  31   6.121 -20.014  16.186
  268   HD23  LEU  31          HD23      LEU  31   5.612 -20.404  17.829
  269    H    GLN  32           HN       GLN  32   9.227 -16.567  15.488
  270    HA   GLN  32           HA       GLN  32   8.676 -14.017  14.467
  271    HB2  GLN  32           HB2      GLN  32  10.722 -14.563  15.718
  272    HB3  GLN  32           HB1      GLN  32  11.269 -15.577  14.382
  273    HG2  GLN  32           HG2      GLN  32  11.377 -13.667  12.897
  274    HG3  GLN  32           HG1      GLN  32  10.646 -12.624  14.116
  275   HE21  GLN  32          HE21      GLN  32  12.956 -11.577  13.390
  276   HE22  GLN  32          HE22      GLN  32  14.230 -11.950  14.448
  277    H    ARG  33           HN       ARG  33   9.934 -16.929  12.848
  278    HA   ARG  33           HA       ARG  33  10.135 -15.730  10.285
  279    HB2  ARG  33           HB2      ARG  33  11.047 -18.053  11.302
  280    HB3  ARG  33           HB1      ARG  33   9.616 -18.671  10.483
  281    HG2  ARG  33           HG2      ARG  33  11.824 -17.017   9.221
  282    HG3  ARG  33           HG1      ARG  33  11.560 -18.742   8.977
  283    HD2  ARG  33           HD2      ARG  33  10.477 -17.886   7.104
  284    HD3  ARG  33           HD1      ARG  33   9.133 -17.926   8.242
  285    HE   ARG  33           HE       ARG  33   9.164 -15.591   8.288
  286   HH11  ARG  33          HH21      ARG  33  12.000 -16.879   6.795
  287   HH12  ARG  33          HH22      ARG  33  12.542 -15.353   6.181
  288   HH21  ARG  33          HH11      ARG  33   9.866 -13.578   7.486
  289   HH22  ARG  33          HH12      ARG  33  11.333 -13.483   6.571
  290    H    ILE  34           HN       ILE  34   7.626 -17.672  11.851
  291    HA   ILE  34           HA       ILE  34   5.861 -17.826   9.652
  292    HB   ILE  34           HB       ILE  34   5.352 -17.940  12.633
  293   HG12  ILE  34          HG12      ILE  34   5.322 -20.156  10.576
  294   HG13  ILE  34          HG11      ILE  34   6.789 -19.700  11.441
  295   HG21  ILE  34          HG21      ILE  34   3.200 -19.092  11.845
  296   HG22  ILE  34          HG22      ILE  34   3.528 -18.394  10.260
  297   HG23  ILE  34          HG23      ILE  34   3.255 -17.342  11.649
  298   HD11  ILE  34          HD11      ILE  34   4.187 -20.610  12.697
  299   HD12  ILE  34          HD12      ILE  34   5.615 -20.090  13.592
  300   HD13  ILE  34          HD13      ILE  34   5.679 -21.545  12.599
  301    H    HIS  35           HN       HIS  35   6.150 -15.508  12.326
  302    HA   HIS  35           HA       HIS  35   3.934 -13.956  12.060
  303    HB2  HIS  35           HB2      HIS  35   5.662 -13.464  13.705
  304    HB3  HIS  35           HB1      HIS  35   6.784 -12.996  12.425
  305    HD2  HIS  35           HD2      HIS  35   3.498 -11.594  14.117
  306    HE1  HIS  35           HE1      HIS  35   5.225  -8.530  11.781
  307    HE2  HIS  35           HE2      HIS  35   3.384  -9.074  13.444
  308    H    ASN  36           HN       ASN  36   6.936 -13.453  10.189
  309    HA   ASN  36           HA       ASN  36   5.849 -11.469   8.486
  310    HB2  ASN  36           HB2      ASN  36   8.253 -11.729   8.759
  311    HB3  ASN  36           HB1      ASN  36   8.180 -13.349   8.070
  312   HD21  ASN  36          HD21      ASN  36   9.161 -13.155   6.036
  313   HD22  ASN  36          HD22      ASN  36   8.750 -11.979   4.884
  314    H    SER  37           HN       SER  37   6.166 -14.980   8.182
  315    HA   SER  37           HA       SER  37   4.866 -14.983   5.567
  316    HB2  SER  37           HB2      SER  37   5.669 -17.395   7.190
  317    HB3  SER  37           HB1      SER  37   5.417 -17.281   5.450
  318    HG   SER  37           HG       SER  37   7.314 -16.329   5.220
  319    H    ASN  38           HN       ASN  38   3.556 -14.265   8.254
  320    HA   ASN  38           HA       ASN  38   1.774 -16.112   9.188
  321    HB2  ASN  38           HB2      ASN  38   0.204 -14.205   9.571
  322    HB3  ASN  38           HB1      ASN  38   1.849 -13.880  10.115
  323   HD21  ASN  38          HD21      ASN  38   0.393 -11.621   9.642
  324   HD22  ASN  38          HD22      ASN  38   0.832 -10.899   8.171
  325    H    ILE  39           HN       ILE  39   0.335 -17.385   8.266
  326    HA   ILE  39           HA       ILE  39  -1.086 -18.291   6.716
  327    HB   ILE  39           HB       ILE  39  -1.985 -15.474   6.185
  328   HG12  ILE  39          HG12      ILE  39  -1.779 -15.621   8.573
  329   HG13  ILE  39          HG11      ILE  39  -3.471 -15.866   8.173
  330   HG21  ILE  39          HG21      ILE  39  -4.161 -16.577   5.942
  331   HG22  ILE  39          HG22      ILE  39  -3.449 -18.125   6.404
  332   HG23  ILE  39          HG23      ILE  39  -2.986 -17.360   4.883
  333   HD11  ILE  39          HD11      ILE  39  -1.450 -17.917   9.048
  334   HD12  ILE  39          HD12      ILE  39  -2.914 -18.394   8.187
  335   HD13  ILE  39          HD13      ILE  39  -3.035 -17.568   9.738
  336    H    LEU  40           HN       LEU  40   1.274 -18.286   5.599
  337    HA   LEU  40           HA       LEU  40   0.990 -16.987   2.946
  338    HB2  LEU  40           HB2      LEU  40   3.028 -16.394   4.297
  339    HB3  LEU  40           HB1      LEU  40   3.508 -18.086   4.207
  340    HG   LEU  40           HG       LEU  40   3.454 -17.940   1.720
  341   HD11  LEU  40          HD11      LEU  40   2.060 -16.213   1.052
  342   HD12  LEU  40          HD12      LEU  40   3.605 -15.376   0.954
  343   HD13  LEU  40          HD13      LEU  40   2.569 -15.144   2.362
  344   HD21  LEU  40          HD21      LEU  40   5.557 -17.625   2.979
  345   HD22  LEU  40          HD22      LEU  40   5.235 -15.894   3.085
  346   HD23  LEU  40          HD23      LEU  40   5.537 -16.642   1.517
  347    H    ASP  41           HN       ASP  41   0.726 -18.224   1.206
  348    HA   ASP  41           HA       ASP  41  -0.020 -20.835   1.185
  349    HB2  ASP  41           HB2      ASP  41  -0.021 -19.249  -0.776
  350    HB3  ASP  41           HB1      ASP  41   1.686 -19.628  -0.996
  351    H    GLU  42           HN       GLU  42   3.297 -19.631   1.075
  352    HA   GLU  42           HA       GLU  42   4.493 -22.200   0.717
  353    HB2  GLU  42           HB2      GLU  42   5.593 -20.011   0.201
  354    HB3  GLU  42           HB1      GLU  42   5.722 -19.723   1.934
  355    HG2  GLU  42           HG2      GLU  42   7.820 -20.677   1.209
  356    HG3  GLU  42           HG1      GLU  42   6.968 -21.922   2.119
  357    H    ARG  43           HN       ARG  43   3.739 -20.181   3.527
  358    HA   ARG  43           HA       ARG  43   4.927 -22.054   5.381
  359    HB2  ARG  43           HB2      ARG  43   4.668 -19.480   5.635
  360    HB3  ARG  43           HB1      ARG  43   3.035 -19.854   6.168
  361    HG2  ARG  43           HG2      ARG  43   4.167 -19.898   8.210
  362    HG3  ARG  43           HG1      ARG  43   4.271 -21.593   7.747
  363    HD2  ARG  43           HD2      ARG  43   6.450 -19.609   7.034
  364    HD3  ARG  43           HD1      ARG  43   6.442 -20.479   8.560
  365    HE   ARG  43           HE       ARG  43   6.144 -22.458   6.709
  366   HH11  ARG  43          HH21      ARG  43   8.326 -19.818   7.143
  367   HH12  ARG  43          HH22      ARG  43   9.675 -20.631   6.425
  368   HH21  ARG  43          HH11      ARG  43   7.897 -23.535   5.758
  369   HH22  ARG  43          HH12      ARG  43   9.433 -22.742   5.639
  370    H    GLN  44           HN       GLN  44   1.885 -21.670   3.869
  371    HA   GLN  44           HA       GLN  44   0.128 -22.713   5.766
  372    HB2  GLN  44           HB2      GLN  44   0.187 -22.761   2.753
  373    HB3  GLN  44           HB1      GLN  44  -1.090 -23.597   3.634
  374    HG2  GLN  44           HG2      GLN  44  -0.399 -20.687   4.101
  375    HG3  GLN  44           HG1      GLN  44  -1.632 -21.211   2.957
  376   HE21  GLN  44          HE21      GLN  44  -1.574 -19.888   5.869
  377   HE22  GLN  44          HE22      GLN  44  -2.814 -20.740   6.654
  378    H    GLY  45           HN       GLY  45   2.369 -24.335   3.574
  379    HA2  GLY  45           HA2      GLY  45   1.437 -26.977   4.067
  380    HA3  GLY  45           HA1      GLY  45   3.000 -26.540   3.382
  381    H    LEU  46           HN       LEU  46   3.843 -24.895   5.549
  382    HA   LEU  46           HA       LEU  46   5.059 -26.852   7.174
  383    HB2  LEU  46           HB2      LEU  46   6.004 -24.604   6.675
  384    HB3  LEU  46           HB1      LEU  46   4.802 -23.899   7.753
  385    HG   LEU  46           HG       LEU  46   6.219 -26.141   9.052
  386   HD11  LEU  46          HD11      LEU  46   8.048 -25.347   7.547
  387   HD12  LEU  46          HD12      LEU  46   8.412 -25.156   9.258
  388   HD13  LEU  46          HD13      LEU  46   7.927 -23.755   8.298
  389   HD21  LEU  46          HD21      LEU  46   6.256 -23.222   9.858
  390   HD22  LEU  46          HD22      LEU  46   6.329 -24.645  10.901
  391   HD23  LEU  46          HD23      LEU  46   4.828 -24.227  10.078
  392    H    MET  47           HN       MET  47   2.267 -24.765   7.647
  393    HA   MET  47           HA       MET  47   1.773 -24.936  10.325
  394    HB2  MET  47           HB2      MET  47  -0.167 -25.166   8.019
  395    HB3  MET  47           HB1      MET  47  -0.678 -24.972   9.690
  396    HG2  MET  47           HG2      MET  47   0.628 -22.866   9.835
  397    HG3  MET  47           HG1      MET  47   1.106 -23.059   8.149
  398    HE1  MET  47           HE1      MET  47  -0.077 -20.761   7.093
  399    HE2  MET  47           HE2      MET  47   0.259 -20.625   8.816
  400    HE3  MET  47           HE3      MET  47  -1.290 -20.081   8.185
  401    H    HIS  48           HN       HIS  48   1.231 -27.459   7.900
  402    HA   HIS  48           HA       HIS  48  -0.157 -29.280   9.547
  403    HB2  HIS  48           HB2      HIS  48  -0.025 -29.512   7.102
  404    HB3  HIS  48           HB1      HIS  48   1.702 -29.850   7.226
  405    HD2  HIS  48           HD2      HIS  48   2.302 -32.514   7.766
  406    HE1  HIS  48           HE1      HIS  48  -1.610 -33.784   8.716
  407    HE2  HIS  48           HE2      HIS  48   0.782 -34.556   8.346
  408    H    GLU  49           HN       GLU  49   3.312 -28.977   8.814
  409    HA   GLU  49           HA       GLU  49   4.080 -31.097  10.580
  410    HB2  GLU  49           HB2      GLU  49   5.691 -28.879   9.290
  411    HB3  GLU  49           HB1      GLU  49   6.389 -30.203  10.221
  412    HG2  GLU  49           HG2      GLU  49   6.547 -31.006   8.022
  413    HG3  GLU  49           HG1      GLU  49   5.050 -31.747   8.580
  414    H    LEU  50           HN       LEU  50   3.632 -27.645  10.871
  415    HA   LEU  50           HA       LEU  50   5.096 -27.174  13.207
  416    HB2  LEU  50           HB2      LEU  50   3.741 -25.575  11.585
  417    HB3  LEU  50           HB1      LEU  50   2.460 -25.800  12.767
  418    HG   LEU  50           HG       LEU  50   5.266 -24.806  13.353
  419   HD11  LEU  50          HD11      LEU  50   3.870 -23.142  12.212
  420   HD12  LEU  50          HD12      LEU  50   4.121 -22.688  13.899
  421   HD13  LEU  50          HD13      LEU  50   2.590 -23.395  13.397
  422   HD21  LEU  50          HD21      LEU  50   4.645 -25.904  15.319
  423   HD22  LEU  50          HD22      LEU  50   2.931 -25.540  15.107
  424   HD23  LEU  50          HD23      LEU  50   4.050 -24.276  15.621
  425    H    MET  51           HN       MET  51   1.716 -28.187  12.763
  426    HA   MET  51           HA       MET  51   1.022 -28.261  15.498
  427    HB2  MET  51           HB2      MET  51  -0.638 -28.288  13.667
  428    HB3  MET  51           HB1      MET  51  -0.105 -29.910  13.224
  429    HG2  MET  51           HG2      MET  51  -0.758 -30.751  15.441
  430    HG3  MET  51           HG1      MET  51  -1.244 -29.127  15.925
  431    HE1  MET  51           HE1      MET  51  -1.680 -31.612  12.885
  432    HE2  MET  51           HE2      MET  51  -3.342 -32.103  13.198
  433    HE3  MET  51           HE3      MET  51  -2.105 -32.378  14.422
  434    H    GLU  52           HN       GLU  52   2.425 -30.678  13.332
  435    HA   GLU  52           HA       GLU  52   2.235 -32.920  14.997
  436    HB2  GLU  52           HB2      GLU  52   4.323 -32.162  12.943
  437    HB3  GLU  52           HB1      GLU  52   4.224 -33.750  13.703
  438    HG2  GLU  52           HG2      GLU  52   1.970 -34.073  12.833
  439    HG3  GLU  52           HG1      GLU  52   1.964 -32.442  12.164
  440    H    LEU  53           HN       LEU  53   4.892 -30.556  14.687
  441    HA   LEU  53           HA       LEU  53   6.531 -31.715  16.681
  442    HB2  LEU  53           HB2      LEU  53   6.405 -29.072  15.280
  443    HB3  LEU  53           HB1      LEU  53   7.379 -29.169  16.744
  444    HG   LEU  53           HG       LEU  53   8.594 -31.113  15.765
  445   HD11  LEU  53          HD11      LEU  53   6.812 -31.898  14.255
  446   HD12  LEU  53          HD12      LEU  53   8.306 -31.601  13.367
  447   HD13  LEU  53          HD13      LEU  53   6.989 -30.435  13.286
  448   HD21  LEU  53          HD21      LEU  53   8.536 -28.592  14.075
  449   HD22  LEU  53          HD22      LEU  53   9.829 -29.791  14.053
  450   HD23  LEU  53          HD23      LEU  53   9.516 -28.859  15.516
  451    H    ILE  54           HN       ILE  54   4.072 -29.167  16.812
  452    HA   ILE  54           HA       ILE  54   4.480 -28.513  19.524
  453    HB   ILE  54           HB       ILE  54   2.074 -28.210  17.742
  454   HG12  ILE  54          HG12      ILE  54   4.338 -26.930  17.393
  455   HG13  ILE  54          HG11      ILE  54   2.832 -26.039  17.366
  456   HG21  ILE  54          HG21      ILE  54   2.532 -27.382  20.611
  457   HG22  ILE  54          HG22      ILE  54   1.127 -28.183  19.912
  458   HG23  ILE  54          HG23      ILE  54   1.431 -26.481  19.569
  459   HD11  ILE  54          HD11      ILE  54   3.182 -25.079  19.464
  460   HD12  ILE  54          HD12      ILE  54   4.809 -25.095  18.786
  461   HD13  ILE  54          HD13      ILE  54   4.328 -26.316  19.961
  462    H    ASP  55           HN       ASP  55   2.315 -30.797  17.933
  463    HA   ASP  55           HA       ASP  55   0.915 -31.592  20.237
  464    HB2  ASP  55           HB2      ASP  55   0.083 -32.041  17.978
  465    HB3  ASP  55           HB1      ASP  55   1.443 -33.122  17.680
  466    H    LEU  56           HN       LEU  56   3.957 -32.572  18.825
  467    HA   LEU  56           HA       LEU  56   4.243 -34.856  20.587
  468    HB2  LEU  56           HB2      LEU  56   6.093 -33.565  18.586
  469    HB3  LEU  56           HB1      LEU  56   6.526 -34.985  19.538
  470    HG   LEU  56           HG       LEU  56   4.044 -34.851  17.805
  471   HD11  LEU  56          HD11      LEU  56   6.055 -34.541  16.411
  472   HD12  LEU  56          HD12      LEU  56   5.307 -36.111  16.114
  473   HD13  LEU  56          HD13      LEU  56   6.761 -36.001  17.105
  474   HD21  LEU  56          HD21      LEU  56   5.476 -37.034  19.327
  475   HD22  LEU  56          HD22      LEU  56   4.514 -37.441  17.908
  476   HD23  LEU  56          HD23      LEU  56   3.751 -36.661  19.288
  477    H    TYR  57           HN       TYR  57   5.209 -31.522  20.482
  478    HA   TYR  57           HA       TYR  57   7.183 -31.805  22.595
  479    HB2  TYR  57           HB2      TYR  57   6.152 -29.573  20.888
  480    HB3  TYR  57           HB1      TYR  57   6.936 -29.155  22.409
  481    HD1  TYR  57           HD2      TYR  57   7.588 -31.878  19.896
  482    HD2  TYR  57           HD1      TYR  57   9.115 -28.434  21.960
  483    HE1  TYR  57           HE2      TYR  57   9.810 -32.242  18.864
  484    HE2  TYR  57           HE1      TYR  57  11.334 -28.797  20.923
  485    HH   TYR  57           HH       TYR  57  11.954 -30.305  18.399
  486    H    GLU  58           HN       GLU  58   3.866 -30.672  22.241
  487    HA   GLU  58           HA       GLU  58   3.614 -29.527  24.806
  488    HB2  GLU  58           HB2      GLU  58   1.279 -29.456  24.385
  489    HB3  GLU  58           HB1      GLU  58   2.049 -29.255  22.813
  490    HG2  GLU  58           HG2      GLU  58   1.748 -31.671  22.373
  491    HG3  GLU  58           HG1      GLU  58   0.897 -31.849  23.899
  492    H    GLU  59           HN       GLU  59   3.253 -32.789  23.605
  493    HA   GLU  59           HA       GLU  59   2.214 -33.798  26.118
  494    HB2  GLU  59           HB2      GLU  59   2.188 -35.965  24.992
  495    HB3  GLU  59           HB1      GLU  59   1.397 -34.735  24.010
  496    HG2  GLU  59           HG2      GLU  59   2.781 -35.853  22.465
  497    HG3  GLU  59           HG1      GLU  59   3.719 -34.425  22.893
  498    H    SER  60           HN       SER  60   5.268 -33.184  24.755
  499    HA   SER  60           HA       SER  60   6.829 -35.303  25.646
  500    HB2  SER  60           HB2      SER  60   8.695 -33.763  25.575
  501    HB3  SER  60           HB1      SER  60   7.609 -33.402  24.238
  502    HG   SER  60           HG       SER  60   8.196 -31.501  25.339
  503    H    GLN  61           HN       GLN  61   6.444 -32.181  27.359
  504    HA   GLN  61           HA       GLN  61   6.947 -33.595  29.913
  505    HB2  GLN  61           HB2      GLN  61   8.267 -31.368  28.812
  506    HB3  GLN  61           HB1      GLN  61   7.269 -30.708  30.103
  507    HG2  GLN  61           HG2      GLN  61   8.199 -32.482  31.627
  508    HG3  GLN  61           HG1      GLN  61   9.312 -32.930  30.332
  509   HE21  GLN  61          HE21      GLN  61   8.426 -30.287  32.545
  510   HE22  GLN  61          HE22      GLN  61   9.890 -29.442  32.381
  511    HA   PRO  62           HA       PRO  62   3.230 -30.906  30.811
  512    HB2  PRO  62           HB2      PRO  62   2.375 -29.068  29.003
  513    HB3  PRO  62           HB1      PRO  62   3.796 -28.793  30.025
  514    HG2  PRO  62           HG2      PRO  62   3.658 -29.359  27.131
  515    HG3  PRO  62           HG1      PRO  62   4.946 -28.582  28.063
  516    HD2  PRO  62           HD2      PRO  62   4.828 -31.349  27.184
  517    HD3  PRO  62           HD1      PRO  62   6.115 -30.538  28.073
  518    H    SER  63           HN       SER  63   2.530 -33.196  30.256
  519    HA   SER  63           HA       SER  63   0.934 -33.732  27.982
  520    HB2  SER  63           HB2      SER  63   1.756 -35.609  29.175
  521    HB3  SER  63           HB1      SER  63   1.160 -34.986  30.712
  522    HG   SER  63           HG       SER  63  -0.501 -35.650  28.510
  523    H    SER  64           HN       SER  64   0.134 -32.738  31.298
  524    HA   SER  64           HA       SER  64  -2.544 -31.905  30.333
  525    HB2  SER  64           HB2      SER  64  -1.773 -33.153  32.971
  526    HB3  SER  64           HB1      SER  64  -3.319 -32.356  32.687
  527    HG   SER  64           HG       SER  64  -2.244 -34.516  31.181
  528    H    GLU  65           HN       GLU  65   0.333 -30.709  31.130
  529    HA   GLU  65           HA       GLU  65  -0.551 -28.639  32.997
  530    HB2  GLU  65           HB2      GLU  65   1.674 -29.712  33.225
  531    HB3  GLU  65           HB1      GLU  65   2.147 -29.020  31.679
  532    HG2  GLU  65           HG2      GLU  65   1.685 -26.744  32.591
  533    HG3  GLU  65           HG1      GLU  65   1.278 -27.474  34.138
  534    H    ARG  66           HN       ARG  66   1.751 -27.761  30.586
  535    HA   ARG  66           HA       ARG  66   0.344 -25.420  29.862
  536    HB2  ARG  66           HB2      ARG  66   2.752 -26.800  28.667
  537    HB3  ARG  66           HB1      ARG  66   2.132 -25.256  28.082
  538    HG2  ARG  66           HG2      ARG  66   2.408 -24.282  30.326
  539    HG3  ARG  66           HG1      ARG  66   3.012 -25.826  30.925
  540    HD2  ARG  66           HD2      ARG  66   4.297 -24.307  28.648
  541    HD3  ARG  66           HD1      ARG  66   4.813 -24.161  30.326
  542    HE   ARG  66           HE       ARG  66   4.777 -26.892  29.667
  543   HH11  ARG  66          HH21      ARG  66   6.405 -23.962  28.811
  544   HH12  ARG  66          HH22      ARG  66   7.902 -24.744  28.424
  545   HH21  ARG  66          HH11      ARG  66   6.735 -27.925  29.162
  546   HH22  ARG  66          HH12      ARG  66   8.089 -26.988  28.623
  547    H    LEU  67           HN       LEU  67   0.062 -28.650  28.820
  548    HA   LEU  67           HA       LEU  67  -0.464 -28.570  26.147
  549    HB2  LEU  67           HB2      LEU  67  -0.690 -30.637  27.410
  550    HB3  LEU  67           HB1      LEU  67  -2.085 -29.997  28.275
  551    HG   LEU  67           HG       LEU  67  -3.381 -29.901  26.197
  552   HD11  LEU  67          HD11      LEU  67  -0.721 -30.620  24.983
  553   HD12  LEU  67          HD12      LEU  67  -1.869 -29.381  24.485
  554   HD13  LEU  67          HD13      LEU  67  -2.211 -31.079  24.158
  555   HD21  LEU  67          HD21      LEU  67  -3.610 -32.270  25.795
  556   HD22  LEU  67          HD22      LEU  67  -3.220 -32.051  27.500
  557   HD23  LEU  67          HD23      LEU  67  -1.971 -32.579  26.368
  558    H    ASN  68           HN       ASN  68  -2.645 -27.548  28.749
  559    HA   ASN  68           HA       ASN  68  -4.847 -26.887  27.104
  560    HB2  ASN  68           HB2      ASN  68  -3.976 -25.993  29.849
  561    HB3  ASN  68           HB1      ASN  68  -5.435 -25.361  29.088
  562   HD21  ASN  68          HD21      ASN  68  -5.564 -26.946  31.472
  563   HD22  ASN  68          HD22      ASN  68  -6.316 -28.419  31.089
  564    H    ALA  69           HN       ALA  69  -2.030 -25.057  28.205
  565    HA   ALA  69           HA       ALA  69  -2.855 -22.546  27.149
  566    HB1  ALA  69           HB1      ALA  69   0.010 -23.414  27.494
  567    HB2  ALA  69           HB2      ALA  69  -1.013 -23.009  28.872
  568    HB3  ALA  69           HB3      ALA  69  -0.670 -21.793  27.641
  569    H    PHE  70           HN       PHE  70  -1.025 -25.262  25.855
  570    HA   PHE  70           HA       PHE  70  -0.336 -23.928  23.396
  571    HB2  PHE  70           HB2      PHE  70  -0.161 -26.786  24.352
  572    HB3  PHE  70           HB1      PHE  70   0.245 -26.332  22.696
  573    HD1  PHE  70           HD1      PHE  70   1.818 -24.184  22.510
  574    HD2  PHE  70           HD2      PHE  70   1.575 -26.769  25.934
  575    HE1  PHE  70           HE1      PHE  70   4.062 -23.427  23.241
  576    HE2  PHE  70           HE2      PHE  70   3.825 -26.011  26.662
  577    HZ   PHE  70           HZ       PHE  70   5.065 -24.338  25.315
  578    H    ARG  71           HN       ARG  71  -3.083 -25.577  24.614
  579    HA   ARG  71           HA       ARG  71  -4.174 -26.680  22.277
  580    HB2  ARG  71           HB2      ARG  71  -5.059 -27.045  24.574
  581    HB3  ARG  71           HB1      ARG  71  -5.675 -25.393  24.565
  582    HG2  ARG  71           HG2      ARG  71  -7.057 -25.914  22.586
  583    HG3  ARG  71           HG1      ARG  71  -6.451 -27.571  22.605
  584    HD2  ARG  71           HD2      ARG  71  -8.616 -27.504  23.716
  585    HD3  ARG  71           HD1      ARG  71  -7.364 -27.839  24.909
  586    HE   ARG  71           HE       ARG  71  -7.816 -25.041  24.755
  587   HH11  ARG  71          HH21      ARG  71  -9.262 -28.001  25.810
  588   HH12  ARG  71          HH22      ARG  71 -10.173 -27.264  27.085
  589   HH21  ARG  71          HH11      ARG  71  -9.007 -24.065  26.424
  590   HH22  ARG  71          HH12      ARG  71 -10.028 -25.035  27.434
  591    H    GLU  72           HN       GLU  72  -4.392 -23.410  23.630
  592    HA   GLU  72           HA       GLU  72  -6.204 -22.361  21.736
  593    HB2  GLU  72           HB2      GLU  72  -4.017 -20.984  23.323
  594    HB3  GLU  72           HB1      GLU  72  -5.269 -20.147  22.405
  595    HG2  GLU  72           HG2      GLU  72  -6.203 -20.191  24.553
  596    HG3  GLU  72           HG1      GLU  72  -6.932 -21.613  23.815
  597    H    LEU  73           HN       LEU  73  -2.681 -22.613  21.803
  598    HA   LEU  73           HA       LEU  73  -2.212 -21.168  19.419
  599    HB2  LEU  73           HB2      LEU  73  -0.408 -21.635  21.003
  600    HB3  LEU  73           HB1      LEU  73  -0.578 -23.366  20.719
  601    HG   LEU  73           HG       LEU  73   0.076 -23.078  18.370
  602   HD11  LEU  73          HD11      LEU  73  -0.059 -20.158  19.103
  603   HD12  LEU  73          HD12      LEU  73  -0.688 -20.978  17.675
  604   HD13  LEU  73          HD13      LEU  73   1.042 -20.686  17.828
  605   HD21  LEU  73          HD21      LEU  73   1.810 -23.333  20.181
  606   HD22  LEU  73          HD22      LEU  73   2.014 -21.583  20.159
  607   HD23  LEU  73          HD23      LEU  73   2.403 -22.534  18.725
  608    H    ARG  74           HN       ARG  74  -2.761 -24.594  20.091
  609    HA   ARG  74           HA       ARG  74  -2.345 -25.523  17.449
  610    HB2  ARG  74           HB2      ARG  74  -3.893 -26.673  19.776
  611    HB3  ARG  74           HB1      ARG  74  -3.681 -27.519  18.243
  612    HG2  ARG  74           HG2      ARG  74  -1.216 -27.347  18.509
  613    HG3  ARG  74           HG1      ARG  74  -1.457 -26.559  20.068
  614    HD2  ARG  74           HD2      ARG  74  -2.565 -29.293  19.406
  615    HD3  ARG  74           HD1      ARG  74  -1.014 -29.047  20.200
  616    HE   ARG  74           HE       ARG  74  -2.752 -27.616  21.741
  617   HH11  ARG  74          HH21      ARG  74  -2.630 -30.845  20.509
  618   HH12  ARG  74          HH22      ARG  74  -3.491 -31.536  21.844
  619   HH21  ARG  74          HH11      ARG  74  -3.884 -28.514  23.498
  620   HH22  ARG  74          HH12      ARG  74  -4.199 -30.216  23.537
  621    H    THR  75           HN       THR  75  -5.115 -24.255  19.178
  622    HA   THR  75           HA       THR  75  -7.129 -24.949  17.356
  623    HB   THR  75           HB       THR  75  -6.924 -22.575  19.152
  624    HG1  THR  75           HG1      THR  75  -7.464 -23.923  20.641
  625   HG21  THR  75          HG21      THR  75  -9.458 -22.676  18.952
  626   HG22  THR  75          HG22      THR  75  -9.200 -23.736  17.565
  627   HG23  THR  75          HG23      THR  75  -8.593 -22.079  17.538
  628    H    GLN  76           HN       GLN  76  -5.027 -22.098  17.548
  629    HA   GLN  76           HA       GLN  76  -6.162 -20.642  15.428
  630    HB2  GLN  76           HB2      GLN  76  -4.458 -19.785  17.059
  631    HB3  GLN  76           HB1      GLN  76  -3.237 -20.730  16.209
  632    HG2  GLN  76           HG2      GLN  76  -3.173 -18.464  15.352
  633    HG3  GLN  76           HG1      GLN  76  -3.849 -19.504  14.099
  634   HE21  GLN  76          HE21      GLN  76  -5.667 -18.600  13.140
  635   HE22  GLN  76          HE22      GLN  76  -6.777 -17.581  13.920
  636    H    LEU  77           HN       LEU  77  -3.356 -22.853  15.411
  637    HA   LEU  77           HA       LEU  77  -2.973 -22.783  12.603
  638    HB2  LEU  77           HB2      LEU  77  -2.103 -24.609  14.821
  639    HB3  LEU  77           HB1      LEU  77  -1.808 -25.080  13.149
  640    HG   LEU  77           HG       LEU  77   0.097 -23.812  14.229
  641   HD11  LEU  77          HD11      LEU  77   0.691 -22.817  12.228
  642   HD12  LEU  77          HD12      LEU  77  -0.864 -22.022  12.019
  643   HD13  LEU  77          HD13      LEU  77  -0.690 -23.733  11.645
  644   HD21  LEU  77          HD21      LEU  77  -0.135 -21.510  14.793
  645   HD22  LEU  77          HD22      LEU  77  -1.564 -22.281  15.478
  646   HD23  LEU  77          HD23      LEU  77  -1.689 -21.380  13.970
  647    H    GLU  78           HN       GLU  78  -4.807 -24.924  14.727
  648    HA   GLU  78           HA       GLU  78  -5.575 -26.789  12.759
  649    HB2  GLU  78           HB2      GLU  78  -5.779 -27.151  15.210
  650    HB3  GLU  78           HB1      GLU  78  -7.085 -25.965  15.250
  651    HG2  GLU  78           HG2      GLU  78  -8.409 -27.327  13.707
  652    HG3  GLU  78           HG1      GLU  78  -7.093 -28.494  13.581
  653    H    LYS  79           HN       LYS  79  -7.061 -23.778  13.908
  654    HA   LYS  79           HA       LYS  79  -9.414 -23.981  12.351
  655    HB2  LYS  79           HB2      LYS  79  -8.924 -22.436  14.361
  656    HB3  LYS  79           HB1      LYS  79  -8.135 -21.382  13.190
  657    HG2  LYS  79           HG2      LYS  79 -10.363 -20.601  13.294
  658    HG3  LYS  79           HG1      LYS  79 -10.282 -21.550  11.815
  659    HD2  LYS  79           HD2      LYS  79 -11.986 -22.874  12.565
  660    HD3  LYS  79           HD1      LYS  79 -10.999 -23.373  13.936
  661    HE2  LYS  79           HE2      LYS  79 -11.768 -21.448  15.221
  662    HE3  LYS  79           HE1      LYS  79 -12.695 -20.868  13.837
  663    HZ1  LYS  79           HZ1      LYS  79 -13.809 -23.137  13.916
  664    HZ2  LYS  79           HZ2      LYS  79 -14.231 -22.019  15.125
  665    HZ3  LYS  79           HZ3      LYS  79 -13.150 -23.282  15.473
  666    H    ALA  80           HN       ALA  80  -6.303 -22.356  11.860
  667    HA   ALA  80           HA       ALA  80  -6.950 -21.174   9.392
  668    HB1  ALA  80           HB1      ALA  80  -4.943 -20.670  10.892
  669    HB2  ALA  80           HB2      ALA  80  -4.630 -20.724   9.158
  670    HB3  ALA  80           HB3      ALA  80  -4.186 -22.094  10.176
  671    H    LEU  81           HN       LEU  81  -5.466 -24.269  10.230
  672    HA   LEU  81           HA       LEU  81  -4.998 -25.104   7.560
  673    HB2  LEU  81           HB2      LEU  81  -3.833 -26.172   9.409
  674    HB3  LEU  81           HB1      LEU  81  -5.359 -26.730  10.090
  675    HG   LEU  81           HG       LEU  81  -5.767 -28.139   8.122
  676   HD11  LEU  81          HD11      LEU  81  -3.318 -26.716   7.089
  677   HD12  LEU  81          HD12      LEU  81  -4.848 -27.039   6.271
  678   HD13  LEU  81          HD13      LEU  81  -3.688 -28.343   6.515
  679   HD21  LEU  81          HD21      LEU  81  -4.471 -29.129   9.933
  680   HD22  LEU  81          HD22      LEU  81  -2.979 -28.453   9.277
  681   HD23  LEU  81          HD23      LEU  81  -3.845 -29.707   8.388
  682    H    GLY  82           HN       GLY  82  -7.683 -25.548   9.808
  683    HA2  GLY  82           HA2      GLY  82  -9.189 -27.339   8.223
  684    HA3  GLY  82           HA1      GLY  82  -9.827 -26.321   9.511
  685    H    LEU  83           HN       LEU  83  -8.715 -23.914   8.110
  686    HA   LEU  83           HA       LEU  83  -9.580 -22.252   6.774
  687    HB2  LEU  83           HB2      LEU  83  -9.872 -24.652   4.959
  688    HB3  LEU  83           HB1      LEU  83 -10.056 -22.983   4.422
  689    HG   LEU  83           HG       LEU  83  -7.570 -24.005   5.823
  690   HD11  LEU  83          HD11      LEU  83  -6.529 -24.200   3.619
  691   HD12  LEU  83          HD12      LEU  83  -8.033 -23.711   2.839
  692   HD13  LEU  83          HD13      LEU  83  -7.946 -25.245   3.706
  693   HD21  LEU  83          HD21      LEU  83  -7.533 -21.644   5.942
  694   HD22  LEU  83          HD22      LEU  83  -8.314 -21.458   4.373
  695   HD23  LEU  83          HD23      LEU  83  -6.627 -21.963   4.466
  696    H    GLU  84           HN       GLU  84 -11.408 -23.527   8.618
  697    HA   GLU  84           HA       GLU  84 -13.924 -24.002   7.389
  698    HB2  GLU  84           HB2      GLU  84 -13.251 -23.104  10.205
  699    HB3  GLU  84           HB1      GLU  84 -14.829 -23.689   9.674
  700    HG2  GLU  84           HG2      GLU  84 -12.260 -25.281   9.466
  701    HG3  GLU  84           HG1      GLU  84 -13.440 -25.468  10.761
  702    H    HIS  85           HN       HIS  85 -15.409 -22.622   6.639
  703    HA   HIS  85           HA       HIS  85 -14.844 -19.770   6.674
  704    HB2  HIS  85           HB2      HIS  85 -17.019 -21.409   5.361
  705    HB3  HIS  85           HB1      HIS  85 -16.875 -19.657   5.207
  706    HD2  HIS  85           HD2      HIS  85 -15.335 -22.845   3.659
  707    HE1  HIS  85           HE1      HIS  85 -13.005 -19.590   2.317
  708    HE2  HIS  85           HE2      HIS  85 -13.464 -22.069   2.009
  709    H    HIS  86           HN       HIS  86 -16.223 -18.176   7.493
  710    HA   HIS  86           HA       HIS  86 -17.597 -18.921   9.916
  711    HB2  HIS  86           HB2      HIS  86 -17.898 -16.539  10.241
  712    HB3  HIS  86           HB1      HIS  86 -16.248 -16.832   9.693
  713    HD2  HIS  86           HD2      HIS  86 -18.969 -14.438   8.825
  714    HE1  HIS  86           HE1      HIS  86 -16.938 -15.046   5.174
  715    HE2  HIS  86           HE2      HIS  86 -18.618 -13.577   6.386
  716    H    HIS  87           HN       HIS  87 -18.541 -19.330   6.879
  717    HA   HIS  87           HA       HIS  87 -21.058 -18.043   6.693
  718    HB2  HIS  87           HB2      HIS  87 -19.884 -19.046   4.753
  719    HB3  HIS  87           HB1      HIS  87 -20.179 -20.650   5.423
  720    HD2  HIS  87           HD2      HIS  87 -22.382 -17.620   4.078
  721    HE1  HIS  87           HE1      HIS  87 -24.631 -21.184   3.820
  722    HE2  HIS  87           HE2      HIS  87 -24.621 -18.703   3.280
  723    H    HIS  88           HN       HIS  88 -20.108 -21.269   7.865
  724    HA   HIS  88           HA       HIS  88 -22.347 -21.349   9.670
  725    HB2  HIS  88           HB2      HIS  88 -23.509 -21.966   7.611
  726    HB3  HIS  88           HB1      HIS  88 -22.326 -23.235   7.302
  727    HD2  HIS  88           HD2      HIS  88 -25.440 -22.595   9.579
  728    HE1  HIS  88           HE1      HIS  88 -24.037 -26.495  10.385
  729    HE2  HIS  88           HE2      HIS  88 -25.920 -24.845  10.814
  730    H    HIS  89           HN       HIS  89 -20.998 -24.159   8.067
  731    HA   HIS  89           HA       HIS  89 -20.055 -26.038   9.063
  732    HB2  HIS  89           HB2      HIS  89 -18.039 -23.833   9.503
  733    HB3  HIS  89           HB1      HIS  89 -17.678 -25.555   9.626
  734    HD2  HIS  89           HD2      HIS  89 -18.256 -22.862   6.866
  735    HE1  HIS  89           HE1      HIS  89 -17.674 -26.562   4.917
  736    HE2  HIS  89           HE2      HIS  89 -17.879 -24.055   4.574
  737    H    HIS  90           HN       HIS  90 -18.490 -23.862  11.363
  738    HA   HIS  90           HA       HIS  90 -19.174 -25.579  13.545
  739    HB2  HIS  90           HB2      HIS  90 -17.086 -24.254  13.514
  740    HB3  HIS  90           HB1      HIS  90 -18.038 -22.773  13.629
  741    HD2  HIS  90           HD2      HIS  90 -18.630 -22.052  16.242
  742    HE1  HIS  90           HE1      HIS  90 -17.804 -25.764  18.078
  743    HE2  HIS  90           HE2      HIS  90 -18.454 -23.347  18.503
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1 -10.482 -18.162  14.901
    2    H2   MET   1           HT2      MET   1  -9.232 -19.121  14.263
    3    H3   MET   1           HT3      MET   1  -9.804 -17.778  13.394
    4    HA   MET   1           HA       MET   1  -8.917 -16.256  14.966
    5    HB2  MET   1           HB2      MET   1  -8.245 -18.761  16.527
    6    HB3  MET   1           HB1      MET   1  -7.665 -17.150  16.945
    7    HG2  MET   1           HG2      MET   1 -10.023 -16.374  17.113
    8    HG3  MET   1           HG1      MET   1 -10.567 -18.017  16.786
    9    HE1  MET   1           HE1      MET   1 -10.222 -19.942  18.024
   10    HE2  MET   1           HE2      MET   1  -9.776 -20.096  19.718
   11    HE3  MET   1           HE3      MET   1  -8.519 -19.924  18.501
   12    H    GLY   2           HN       GLY   2  -8.112 -18.450  12.813
   13    HA2  GLY   2           HA2      GLY   2  -6.266 -18.876  11.507
   14    HA3  GLY   2           HA1      GLY   2  -5.643 -17.337  12.095
   15    H    VAL   3           HN       VAL   3  -3.615 -17.657  12.775
   16    HA   VAL   3           HA       VAL   3  -3.121 -19.601  14.898
   17    HB   VAL   3           HB       VAL   3  -2.682 -20.916  12.885
   18   HG11  VAL   3          HG11      VAL   3  -2.006 -18.590  11.652
   19   HG12  VAL   3          HG12      VAL   3  -1.453 -20.158  11.079
   20   HG13  VAL   3          HG13      VAL   3  -0.391 -19.164  12.062
   21   HG21  VAL   3          HG21      VAL   3  -1.196 -21.043  14.956
   22   HG22  VAL   3          HG22      VAL   3  -0.046 -20.034  14.083
   23   HG23  VAL   3          HG23      VAL   3  -0.464 -21.631  13.462
   24    H    TRP   4           HN       TRP   4  -2.825 -17.698  16.128
   25    HA   TRP   4           HA       TRP   4  -0.275 -16.268  15.571
   26    HB2  TRP   4           HB2      TRP   4  -2.814 -15.227  16.840
   27    HB3  TRP   4           HB1      TRP   4  -1.293 -14.339  16.746
   28    HD1  TRP   4           HD1      TRP   4  -4.385 -15.011  14.840
   29    HE1  TRP   4           HE1      TRP   4  -4.180 -14.115  12.431
   30    HE3  TRP   4           HE3      TRP   4   0.631 -14.069  14.673
   31    HZ2  TRP   4           HZ2      TRP   4  -2.155 -13.130  10.667
   32    HZ3  TRP   4           HZ3      TRP   4   1.670 -13.153  12.619
   33    HH2  TRP   4           HH2      TRP   4   0.285 -12.684  10.617
   34    H    THR   5           HN       THR   5   1.216 -16.334  17.103
   35    HA   THR   5           HA       THR   5   0.659 -16.501  19.888
   36    HB   THR   5           HB       THR   5   2.001 -18.974  18.810
   37    HG1  THR   5           HG1      THR   5  -0.682 -18.962  19.587
   38   HG21  THR   5          HG21      THR   5   0.510 -18.349  21.370
   39   HG22  THR   5          HG22      THR   5   2.266 -18.380  21.198
   40   HG23  THR   5          HG23      THR   5   1.332 -19.864  20.998
   41    HA   PRO   6           HA       PRO   6   4.938 -15.263  18.158
   42    HB2  PRO   6           HB2      PRO   6   4.645 -12.543  18.498
   43    HB3  PRO   6           HB1      PRO   6   4.221 -13.390  16.998
   44    HG2  PRO   6           HG2      PRO   6   2.432 -12.579  19.252
   45    HG3  PRO   6           HG1      PRO   6   2.196 -12.374  17.508
   46    HD2  PRO   6           HD2      PRO   6   0.990 -14.379  18.814
   47    HD3  PRO   6           HD1      PRO   6   1.663 -14.622  17.181
   48    H    GLU   7           HN       GLU   7   6.535 -13.802  19.436
   49    HA   GLU   7           HA       GLU   7   6.928 -14.767  21.976
   50    HB2  GLU   7           HB2      GLU   7   8.581 -13.433  20.658
   51    HB3  GLU   7           HB1      GLU   7   7.680 -11.973  21.067
   52    HG2  GLU   7           HG2      GLU   7   8.051 -12.368  23.449
   53    HG3  GLU   7           HG1      GLU   7   8.859 -13.891  23.093
   54    H    VAL   8           HN       VAL   8   4.586 -12.470  20.940
   55    HA   VAL   8           HA       VAL   8   4.166 -10.852  23.140
   56    HB   VAL   8           HB       VAL   8   2.010 -12.167  21.473
   57   HG11  VAL   8          HG11      VAL   8   0.741 -10.115  22.030
   58   HG12  VAL   8          HG12      VAL   8   2.070  -9.592  23.063
   59   HG13  VAL   8          HG13      VAL   8   1.153 -11.041  23.472
   60   HG21  VAL   8          HG21      VAL   8   3.384  -9.506  21.017
   61   HG22  VAL   8          HG22      VAL   8   2.254 -10.325  19.939
   62   HG23  VAL   8          HG23      VAL   8   3.868 -10.985  20.190
   63    H    LEU   9           HN       LEU   9   2.677 -14.040  22.540
   64    HA   LEU   9           HA       LEU   9   1.451 -14.220  25.071
   65    HB2  LEU   9           HB2      LEU   9   0.741 -15.611  23.171
   66    HB3  LEU   9           HB1      LEU   9   2.300 -16.433  23.181
   67    HG   LEU   9           HG       LEU   9   1.848 -17.249  25.481
   68   HD11  LEU   9          HD11      LEU   9   0.449 -15.694  26.519
   69   HD12  LEU   9          HD12      LEU   9  -0.697 -16.970  26.138
   70   HD13  LEU   9          HD13      LEU   9  -0.603 -15.538  25.112
   71   HD21  LEU   9          HD21      LEU   9   1.184 -18.646  23.583
   72   HD22  LEU   9          HD22      LEU   9  -0.368 -17.810  23.494
   73   HD23  LEU   9          HD23      LEU   9   0.018 -18.806  24.897
   74    H    LYS  10           HN       LYS  10   4.575 -15.262  23.822
   75    HA   LYS  10           HA       LYS  10   5.444 -16.807  25.988
   76    HB2  LYS  10           HB2      LYS  10   6.626 -16.614  23.786
   77    HB3  LYS  10           HB1      LYS  10   7.160 -15.005  24.264
   78    HG2  LYS  10           HG2      LYS  10   8.309 -15.947  26.208
   79    HG3  LYS  10           HG1      LYS  10   7.748 -17.560  25.765
   80    HD2  LYS  10           HD2      LYS  10   8.918 -17.231  23.532
   81    HD3  LYS  10           HD1      LYS  10   9.642 -15.778  24.216
   82    HE2  LYS  10           HE2      LYS  10   9.854 -18.504  25.472
   83    HE3  LYS  10           HE1      LYS  10  11.077 -17.818  24.410
   84    HZ1  LYS  10           HZ1      LYS  10  11.898 -17.077  26.367
   85    HZ2  LYS  10           HZ2      LYS  10  10.390 -17.116  27.151
   86    HZ3  LYS  10           HZ3      LYS  10  10.781 -15.826  26.115
   87    H    ALA  11           HN       ALA  11   5.770 -13.318  25.375
   88    HA   ALA  11           HA       ALA  11   7.170 -12.749  27.787
   89    HB1  ALA  11           HB1      ALA  11   6.384 -10.376  27.307
   90    HB2  ALA  11           HB2      ALA  11   5.572 -11.031  25.884
   91    HB3  ALA  11           HB3      ALA  11   7.326 -11.146  26.029
   92    H    ARG  12           HN       ARG  12   3.771 -12.843  26.880
   93    HA   ARG  12           HA       ARG  12   2.716 -11.656  29.204
   94    HB2  ARG  12           HB2      ARG  12   1.409 -12.031  27.125
   95    HB3  ARG  12           HB1      ARG  12   1.455 -13.765  27.427
   96    HG2  ARG  12           HG2      ARG  12  -0.664 -12.872  28.246
   97    HG3  ARG  12           HG1      ARG  12   0.307 -13.378  29.621
   98    HD2  ARG  12           HD2      ARG  12   0.725 -11.196  30.306
   99    HD3  ARG  12           HD1      ARG  12   0.566 -10.533  28.682
  100    HE   ARG  12           HE       ARG  12  -1.947 -11.474  29.361
  101   HH11  ARG  12          HH21      ARG  12   0.390  -9.228  30.574
  102   HH12  ARG  12          HH22      ARG  12  -0.788  -8.164  31.268
  103   HH21  ARG  12          HH11      ARG  12  -3.499 -10.083  30.271
  104   HH22  ARG  12          HH12      ARG  12  -2.989  -8.647  31.096
  105    H    ALA  13           HN       ALA  13   3.404 -15.026  28.367
  106    HA   ALA  13           HA       ALA  13   2.537 -15.999  30.955
  107    HB1  ALA  13           HB1      ALA  13   3.963 -17.358  28.654
  108    HB2  ALA  13           HB2      ALA  13   2.241 -17.438  29.020
  109    HB3  ALA  13           HB3      ALA  13   3.409 -18.180  30.113
  110    H    SER  14           HN       SER  14   5.568 -15.344  29.284
  111    HA   SER  14           HA       SER  14   7.196 -16.291  31.485
  112    HB2  SER  14           HB2      SER  14   8.081 -14.649  29.108
  113    HB3  SER  14           HB1      SER  14   9.074 -15.680  30.135
  114    HG   SER  14           HG       SER  14   7.799 -17.454  29.381
  115    H    VAL  15           HN       VAL  15   5.382 -13.570  30.935
  116    HA   VAL  15           HA       VAL  15   5.288 -11.481  31.880
  117    HB   VAL  15           HB       VAL  15   7.109 -12.773  33.924
  118   HG11  VAL  15          HG11      VAL  15   6.012 -10.994  35.398
  119   HG12  VAL  15          HG12      VAL  15   5.480 -10.226  33.901
  120   HG13  VAL  15          HG13      VAL  15   7.202 -10.410  34.235
  121   HG21  VAL  15          HG21      VAL  15   4.932 -13.038  35.167
  122   HG22  VAL  15          HG22      VAL  15   5.042 -14.021  33.706
  123   HG23  VAL  15          HG23      VAL  15   4.095 -12.534  33.699
  124    H    ILE  16           HN       ILE  16   8.595 -12.305  32.878
  125    HA   ILE  16           HA       ILE  16   9.558  -9.811  31.696
  126    HB   ILE  16           HB       ILE  16  10.230 -10.531  33.991
  127   HG12  ILE  16          HG12      ILE  16  12.574 -10.454  32.071
  128   HG13  ILE  16          HG11      ILE  16  11.621  -9.028  32.482
  129   HG21  ILE  16          HG21      ILE  16  10.365 -12.991  33.286
  130   HG22  ILE  16          HG22      ILE  16  11.671 -12.401  34.314
  131   HG23  ILE  16          HG23      ILE  16  11.931 -12.594  32.579
  132   HD11  ILE  16          HD11      ILE  16  13.707  -9.340  33.886
  133   HD12  ILE  16          HD12      ILE  16  12.953 -10.787  34.555
  134   HD13  ILE  16          HD13      ILE  16  12.209  -9.208  34.810
  135    H    GLY  17           HN       GLY  17  10.707  -9.663  29.868
  136    HA2  GLY  17           HA2      GLY  17  10.862 -11.815  28.042
  137    HA3  GLY  17           HA1      GLY  17  11.687 -10.267  27.875
  138    H    LYS  18           HN       LYS  18  12.372 -13.338  27.702
  139    HA   LYS  18           HA       LYS  18  15.131 -13.047  28.298
  140    HB2  LYS  18           HB2      LYS  18  14.189 -13.258  30.619
  141    HB3  LYS  18           HB1      LYS  18  13.635 -14.870  30.182
  142    HG2  LYS  18           HG2      LYS  18  15.949 -15.537  29.655
  143    HG3  LYS  18           HG1      LYS  18  16.511 -13.916  30.059
  144    HD2  LYS  18           HD2      LYS  18  16.894 -14.981  32.092
  145    HD3  LYS  18           HD1      LYS  18  15.253 -14.402  32.366
  146    HE2  LYS  18           HE2      LYS  18  15.304 -16.725  33.002
  147    HE3  LYS  18           HE1      LYS  18  14.425 -16.628  31.479
  148    HZ1  LYS  18           HZ1      LYS  18  16.368 -17.292  30.288
  149    HZ2  LYS  18           HZ2      LYS  18  16.102 -18.415  31.536
  150    HZ3  LYS  18           HZ3      LYS  18  17.318 -17.240  31.692
  151    HA   PRO  19           HA       PRO  19  13.697 -16.333  25.292
  152    HB2  PRO  19           HB2      PRO  19  16.052 -15.186  23.845
  153    HB3  PRO  19           HB1      PRO  19  14.433 -15.577  23.229
  154    HG2  PRO  19           HG2      PRO  19  15.185 -13.053  23.642
  155    HG3  PRO  19           HG1      PRO  19  13.527 -13.587  23.981
  156    HD2  PRO  19           HD2      PRO  19  15.762 -13.040  25.910
  157    HD3  PRO  19           HD1      PRO  19  14.020 -12.715  26.080
  158    H    ILE  20           HN       ILE  20  14.365 -18.296  25.926
  159    HA   ILE  20           HA       ILE  20  17.083 -18.719  26.888
  160    HB   ILE  20           HB       ILE  20  14.835 -20.719  26.648
  161   HG12  ILE  20          HG12      ILE  20  15.641 -19.088  29.081
  162   HG13  ILE  20          HG11      ILE  20  14.283 -18.657  28.034
  163   HG21  ILE  20          HG21      ILE  20  17.252 -20.655  28.482
  164   HG22  ILE  20          HG22      ILE  20  17.215 -21.543  26.961
  165   HG23  ILE  20          HG23      ILE  20  16.117 -21.985  28.261
  166   HD11  ILE  20          HD11      ILE  20  13.340 -20.962  28.432
  167   HD12  ILE  20          HD12      ILE  20  13.385 -19.935  29.867
  168   HD13  ILE  20          HD13      ILE  20  14.593 -21.199  29.650
  169    H    GLY  21           HN       GLY  21  18.686 -19.633  25.767
  170    HA2  GLY  21           HA2      GLY  21  18.198 -20.375  22.981
  171    HA3  GLY  21           HA1      GLY  21  19.765 -20.222  23.770
  172    H    GLU  22           HN       GLU  22  17.406 -22.373  22.679
  173    HA   GLU  22           HA       GLU  22  18.939 -24.678  23.162
  174    HB2  GLU  22           HB2      GLU  22  17.457 -25.781  24.858
  175    HB3  GLU  22           HB1      GLU  22  18.379 -24.435  25.509
  176    HG2  GLU  22           HG2      GLU  22  16.447 -22.949  25.257
  177    HG3  GLU  22           HG1      GLU  22  15.519 -24.263  24.538
  178    H    SER  23           HN       SER  23  17.077 -26.660  23.283
  179    HA   SER  23           HA       SER  23  15.954 -26.609  20.669
  180    HB2  SER  23           HB2      SER  23  14.956 -28.780  21.309
  181    HB3  SER  23           HB1      SER  23  16.668 -28.701  21.713
  182    HG   SER  23           HG       SER  23  14.831 -29.360  23.334
  183    H    TYR  24           HN       TYR  24  14.670 -26.007  23.892
  184    HA   TYR  24           HA       TYR  24  11.927 -26.101  23.302
  185    HB2  TYR  24           HB2      TYR  24  12.876 -25.948  25.599
  186    HB3  TYR  24           HB1      TYR  24  13.312 -24.270  25.278
  187    HD1  TYR  24           HD1      TYR  24  11.509 -22.594  24.745
  188    HD2  TYR  24           HD2      TYR  24  10.631 -26.558  26.145
  189    HE1  TYR  24           HE1      TYR  24   9.214 -21.873  25.349
  190    HE2  TYR  24           HE2      TYR  24   8.336 -25.839  26.745
  191    HH   TYR  24           HH       TYR  24   6.736 -24.070  26.094
  192    H    LYS  25           HN       LYS  25  14.358 -23.847  22.396
  193    HA   LYS  25           HA       LYS  25  12.488 -21.678  21.844
  194    HB2  LYS  25           HB2      LYS  25  14.832 -21.261  22.612
  195    HB3  LYS  25           HB1      LYS  25  15.409 -21.920  21.083
  196    HG2  LYS  25           HG2      LYS  25  14.237 -20.192  19.840
  197    HG3  LYS  25           HG1      LYS  25  13.494 -19.583  21.319
  198    HD2  LYS  25           HD2      LYS  25  15.746 -19.036  22.197
  199    HD3  LYS  25           HD1      LYS  25  16.461 -19.614  20.692
  200    HE2  LYS  25           HE2      LYS  25  14.419 -17.380  20.852
  201    HE3  LYS  25           HE1      LYS  25  16.161 -17.123  20.762
  202    HZ1  LYS  25           HZ1      LYS  25  16.202 -18.312  18.668
  203    HZ2  LYS  25           HZ2      LYS  25  15.123 -17.003  18.580
  204    HZ3  LYS  25           HZ3      LYS  25  14.530 -18.586  18.757
  205    H    ARG  26           HN       ARG  26  13.515 -24.508  20.324
  206    HA   ARG  26           HA       ARG  26  13.634 -23.723  17.629
  207    HB2  ARG  26           HB2      ARG  26  14.424 -25.907  18.457
  208    HB3  ARG  26           HB1      ARG  26  12.759 -26.372  18.801
  209    HG2  ARG  26           HG2      ARG  26  13.173 -25.369  16.026
  210    HG3  ARG  26           HG1      ARG  26  14.054 -26.848  16.390
  211    HD2  ARG  26           HD2      ARG  26  11.087 -26.434  16.851
  212    HD3  ARG  26           HD1      ARG  26  11.789 -27.315  15.500
  213    HE   ARG  26           HE       ARG  26  11.574 -28.229  18.254
  214   HH11  ARG  26          HH21      ARG  26  13.136 -28.533  15.183
  215   HH12  ARG  26          HH22      ARG  26  13.625 -30.174  15.439
  216   HH21  ARG  26          HH11      ARG  26  12.213 -30.376  18.601
  217   HH22  ARG  26          HH12      ARG  26  13.099 -31.220  17.375
  218    H    ILE  27           HN       ILE  27  10.956 -24.790  19.676
  219    HA   ILE  27           HA       ILE  27   9.008 -24.792  17.634
  220    HB   ILE  27           HB       ILE  27   7.392 -24.628  19.626
  221   HG12  ILE  27          HG12      ILE  27   9.975 -25.028  21.157
  222   HG13  ILE  27          HG11      ILE  27   9.138 -23.478  21.068
  223   HG21  ILE  27          HG21      ILE  27   7.920 -26.776  18.660
  224   HG22  ILE  27          HG22      ILE  27   8.047 -26.938  20.412
  225   HG23  ILE  27          HG23      ILE  27   9.506 -26.790  19.432
  226   HD11  ILE  27          HD11      ILE  27   7.126 -24.493  22.042
  227   HD12  ILE  27          HD12      ILE  27   8.513 -24.718  23.107
  228   HD13  ILE  27          HD13      ILE  27   7.940 -26.056  22.112
  229    H    LEU  28           HN       LEU  28  10.176 -22.374  19.866
  230    HA   LEU  28           HA       LEU  28   8.212 -20.399  19.089
  231    HB2  LEU  28           HB2      LEU  28  10.636 -20.383  20.882
  232    HB3  LEU  28           HB1      LEU  28   9.787 -18.891  20.483
  233    HG   LEU  28           HG       LEU  28   8.206 -21.267  21.476
  234   HD11  LEU  28          HD11      LEU  28   9.838 -19.346  23.150
  235   HD12  LEU  28          HD12      LEU  28   9.905 -21.107  23.158
  236   HD13  LEU  28          HD13      LEU  28   8.486 -20.275  23.796
  237   HD21  LEU  28          HD21      LEU  28   6.809 -19.397  22.405
  238   HD22  LEU  28          HD22      LEU  28   6.963 -19.327  20.656
  239   HD23  LEU  28          HD23      LEU  28   7.915 -18.245  21.667
  240    H    ALA  29           HN       ALA  29  11.358 -21.400  18.092
  241    HA   ALA  29           HA       ALA  29  12.205 -18.986  16.858
  242    HB1  ALA  29           HB1      ALA  29  13.745 -20.497  15.578
  243    HB2  ALA  29           HB2      ALA  29  12.946 -21.870  16.343
  244    HB3  ALA  29           HB3      ALA  29  13.827 -20.703  17.329
  245    H    LYS  30           HN       LYS  30  10.398 -21.800  15.693
  246    HA   LYS  30           HA       LYS  30  10.287 -20.943  12.975
  247    HB2  LYS  30           HB2      LYS  30   8.496 -22.654  12.765
  248    HB3  LYS  30           HB1      LYS  30   9.952 -23.285  13.536
  249    HG2  LYS  30           HG2      LYS  30   8.979 -23.167  15.703
  250    HG3  LYS  30           HG1      LYS  30   7.612 -22.213  15.133
  251    HD2  LYS  30           HD2      LYS  30   6.998 -24.184  13.657
  252    HD3  LYS  30           HD1      LYS  30   8.211 -25.114  14.534
  253    HE2  LYS  30           HE2      LYS  30   6.208 -25.559  15.700
  254    HE3  LYS  30           HE1      LYS  30   6.975 -24.317  16.672
  255    HZ1  LYS  30           HZ1      LYS  30   4.882 -23.860  14.625
  256    HZ2  LYS  30           HZ2      LYS  30   5.646 -22.650  15.538
  257    HZ3  LYS  30           HZ3      LYS  30   4.660 -23.802  16.304
  258    H    LEU  31           HN       LEU  31   8.618 -20.029  15.821
  259    HA   LEU  31           HA       LEU  31   6.116 -19.335  14.935
  260    HB2  LEU  31           HB2      LEU  31   7.414 -18.988  17.277
  261    HB3  LEU  31           HB1      LEU  31   7.552 -17.342  16.676
  262    HG   LEU  31           HG       LEU  31   5.518 -17.524  17.998
  263   HD11  LEU  31          HD11      LEU  31   4.551 -17.609  15.145
  264   HD12  LEU  31          HD12      LEU  31   5.580 -16.285  15.691
  265   HD13  LEU  31          HD13      LEU  31   4.022 -16.565  16.454
  266   HD21  LEU  31          HD21      LEU  31   4.123 -19.334  17.945
  267   HD22  LEU  31          HD22      LEU  31   5.433 -20.164  17.121
  268   HD23  LEU  31          HD23      LEU  31   4.133 -19.431  16.189
  269    H    GLN  32           HN       GLN  32   9.142 -17.582  14.530
  270    HA   GLN  32           HA       GLN  32   8.123 -15.211  13.423
  271    HB2  GLN  32           HB2      GLN  32  10.480 -15.517  14.124
  272    HB3  GLN  32           HB1      GLN  32  10.729 -16.609  12.762
  273    HG2  GLN  32           HG2      GLN  32  10.238 -14.840  11.178
  274    HG3  GLN  32           HG1      GLN  32   9.789 -13.743  12.483
  275   HE21  GLN  32          HE21      GLN  32  11.861 -13.021  10.678
  276   HE22  GLN  32          HE22      GLN  32  13.340 -13.038  11.511
  277    H    ARG  33           HN       ARG  33   8.918 -18.336  11.959
  278    HA   ARG  33           HA       ARG  33   8.536 -17.552   9.255
  279    HB2  ARG  33           HB2      ARG  33   9.679 -19.652   9.967
  280    HB3  ARG  33           HB1      ARG  33   8.114 -20.296  10.464
  281    HG2  ARG  33           HG2      ARG  33   7.281 -19.954   8.128
  282    HG3  ARG  33           HG1      ARG  33   8.900 -19.433   7.664
  283    HD2  ARG  33           HD2      ARG  33   9.751 -21.654   8.521
  284    HD3  ARG  33           HD1      ARG  33   8.068 -22.149   8.707
  285    HE   ARG  33           HE       ARG  33   9.520 -21.841   6.206
  286   HH11  ARG  33          HH21      ARG  33   6.476 -22.049   7.832
  287   HH12  ARG  33          HH22      ARG  33   5.601 -22.554   6.425
  288   HH21  ARG  33          HH11      ARG  33   8.383 -22.501   4.355
  289   HH22  ARG  33          HH12      ARG  33   6.681 -22.808   4.455
  290    H    ILE  34           HN       ILE  34   6.361 -18.803  11.738
  291    HA   ILE  34           HA       ILE  34   4.109 -19.238  10.106
  292    HB   ILE  34           HB       ILE  34   4.093 -18.361  13.006
  293   HG12  ILE  34          HG12      ILE  34   5.638 -20.219  12.803
  294   HG13  ILE  34          HG11      ILE  34   4.139 -20.841  13.475
  295   HG21  ILE  34          HG21      ILE  34   1.887 -18.412  11.928
  296   HG22  ILE  34          HG22      ILE  34   2.032 -19.748  13.068
  297   HG23  ILE  34          HG23      ILE  34   2.201 -20.044  11.339
  298   HD11  ILE  34          HD11      ILE  34   3.535 -21.305  10.966
  299   HD12  ILE  34          HD12      ILE  34   4.608 -22.409  11.801
  300   HD13  ILE  34          HD13      ILE  34   5.267 -21.192  10.712
  301    H    HIS  35           HN       HIS  35   5.196 -16.381  11.885
  302    HA   HIS  35           HA       HIS  35   2.989 -14.738  11.514
  303    HB2  HIS  35           HB2      HIS  35   4.910 -14.127  12.923
  304    HB3  HIS  35           HB1      HIS  35   5.917 -13.956  11.484
  305    HD2  HIS  35           HD2      HIS  35   3.489 -11.834  13.571
  306    HE1  HIS  35           HE1      HIS  35   4.058  -9.759   9.938
  307    HE2  HIS  35           HE2      HIS  35   3.106  -9.593  12.287
  308    H    ASN  36           HN       ASN  36   5.794 -15.202   9.374
  309    HA   ASN  36           HA       ASN  36   4.635 -13.488   7.329
  310    HB2  ASN  36           HB2      ASN  36   6.681 -14.229   6.035
  311    HB3  ASN  36           HB1      ASN  36   7.009 -13.376   7.542
  312   HD21  ASN  36          HD21      ASN  36   6.616 -16.746   6.311
  313   HD22  ASN  36          HD22      ASN  36   7.757 -17.416   7.372
  314    H    SER  37           HN       SER  37   5.063 -16.922   7.959
  315    HA   SER  37           HA       SER  37   3.947 -17.637   5.348
  316    HB2  SER  37           HB2      SER  37   4.790 -19.514   7.556
  317    HB3  SER  37           HB1      SER  37   4.601 -19.866   5.840
  318    HG   SER  37           HG       SER  37   6.515 -19.061   5.479
  319    H    ASN  38           HN       ASN  38   2.526 -16.419   7.852
  320    HA   ASN  38           HA       ASN  38   0.757 -18.150   9.029
  321    HB2  ASN  38           HB2      ASN  38  -0.821 -16.253   9.156
  322    HB3  ASN  38           HB1      ASN  38   0.823 -15.762   9.557
  323   HD21  ASN  38          HD21      ASN  38   2.077 -14.664   7.761
  324   HD22  ASN  38          HD22      ASN  38   1.219 -13.783   6.592
  325    H    ILE  39           HN       ILE  39  -0.613 -19.601   8.247
  326    HA   ILE  39           HA       ILE  39  -1.822 -20.806   6.677
  327    HB   ILE  39           HB       ILE  39  -3.119 -18.134   6.182
  328   HG12  ILE  39          HG12      ILE  39  -3.491 -20.014   8.500
  329   HG13  ILE  39          HG11      ILE  39  -2.788 -18.407   8.596
  330   HG21  ILE  39          HG21      ILE  39  -4.323 -20.894   6.420
  331   HG22  ILE  39          HG22      ILE  39  -3.801 -20.216   4.880
  332   HG23  ILE  39          HG23      ILE  39  -5.093 -19.437   5.792
  333   HD11  ILE  39          HD11      ILE  39  -4.992 -17.570   7.565
  334   HD12  ILE  39          HD12      ILE  39  -5.053 -18.108   9.244
  335   HD13  ILE  39          HD13      ILE  39  -5.640 -19.162   7.957
  336    H    LEU  40           HN       LEU  40   0.477 -20.478   5.488
  337    HA   LEU  40           HA       LEU  40  -0.012 -19.211   2.871
  338    HB2  LEU  40           HB2      LEU  40   2.030 -18.529   4.158
  339    HB3  LEU  40           HB1      LEU  40   2.610 -20.188   4.032
  340    HG   LEU  40           HG       LEU  40   2.458 -20.009   1.539
  341   HD11  LEU  40          HD11      LEU  40   0.931 -18.355   0.985
  342   HD12  LEU  40          HD12      LEU  40   2.417 -17.432   0.830
  343   HD13  LEU  40          HD13      LEU  40   1.441 -17.282   2.288
  344   HD21  LEU  40          HD21      LEU  40   4.144 -17.880   2.885
  345   HD22  LEU  40          HD22      LEU  40   4.433 -18.561   1.284
  346   HD23  LEU  40          HD23      LEU  40   4.587 -19.579   2.717
  347    H    ASP  41           HN       ASP  41   0.165 -20.353   0.977
  348    HA   ASP  41           HA       ASP  41  -0.653 -22.959   0.822
  349    HB2  ASP  41           HB2      ASP  41   1.126 -21.416  -1.061
  350    HB3  ASP  41           HB1      ASP  41   0.443 -22.994  -1.449
  351    H    GLU  42           HN       GLU  42   2.631 -21.768   1.212
  352    HA   GLU  42           HA       GLU  42   3.871 -24.334   0.895
  353    HB2  GLU  42           HB2      GLU  42   5.060 -22.198   0.489
  354    HB3  GLU  42           HB1      GLU  42   4.956 -21.839   2.212
  355    HG2  GLU  42           HG2      GLU  42   6.240 -23.859   2.743
  356    HG3  GLU  42           HG1      GLU  42   6.296 -24.293   1.036
  357    H    ARG  43           HN       ARG  43   2.771 -22.391   3.627
  358    HA   ARG  43           HA       ARG  43   3.880 -24.063   5.644
  359    HB2  ARG  43           HB2      ARG  43   3.322 -21.794   6.217
  360    HB3  ARG  43           HB1      ARG  43   1.648 -22.026   5.703
  361    HG2  ARG  43           HG2      ARG  43   1.236 -23.586   7.515
  362    HG3  ARG  43           HG1      ARG  43   2.946 -23.588   7.946
  363    HD2  ARG  43           HD2      ARG  43   2.840 -21.368   8.754
  364    HD3  ARG  43           HD1      ARG  43   1.315 -21.051   7.938
  365    HE   ARG  43           HE       ARG  43   0.258 -21.869   9.809
  366   HH11  ARG  43          HH21      ARG  43   3.431 -23.227   9.552
  367   HH12  ARG  43          HH22      ARG  43   3.318 -24.120  11.027
  368   HH21  ARG  43          HH11      ARG  43   0.108 -23.032  11.752
  369   HH22  ARG  43          HH12      ARG  43   1.439 -24.010  12.275
  370    H    GLN  44           HN       GLN  44   0.997 -24.199   3.721
  371    HA   GLN  44           HA       GLN  44  -0.802 -25.616   5.187
  372    HB2  GLN  44           HB2      GLN  44   0.034 -25.989   2.316
  373    HB3  GLN  44           HB1      GLN  44  -1.314 -26.875   3.021
  374    HG2  GLN  44           HG2      GLN  44  -2.384 -24.740   3.649
  375    HG3  GLN  44           HG1      GLN  44  -1.044 -23.859   2.921
  376   HE21  GLN  44          HE21      GLN  44  -1.064 -26.216   0.803
  377   HE22  GLN  44          HE22      GLN  44  -2.284 -25.726  -0.271
  378    H    GLY  45           HN       GLY  45   2.182 -26.856   3.768
  379    HA2  GLY  45           HA2      GLY  45   1.696 -29.586   4.520
  380    HA3  GLY  45           HA1      GLY  45   3.218 -28.917   3.934
  381    H    LEU  46           HN       LEU  46   3.595 -26.889   5.833
  382    HA   LEU  46           HA       LEU  46   4.759 -28.356   7.932
  383    HB2  LEU  46           HB2      LEU  46   4.893 -25.698   6.965
  384    HB3  LEU  46           HB1      LEU  46   4.323 -25.526   8.618
  385    HG   LEU  46           HG       LEU  46   6.756 -25.490   8.624
  386   HD11  LEU  46          HD11      LEU  46   6.450 -28.253   9.634
  387   HD12  LEU  46          HD12      LEU  46   5.194 -27.170  10.196
  388   HD13  LEU  46          HD13      LEU  46   6.877 -26.784  10.500
  389   HD21  LEU  46          HD21      LEU  46   8.066 -26.884   7.361
  390   HD22  LEU  46          HD22      LEU  46   6.602 -27.182   6.436
  391   HD23  LEU  46          HD23      LEU  46   7.087 -28.303   7.703
  392    H    MET  47           HN       MET  47   1.784 -26.510   7.693
  393    HA   MET  47           HA       MET  47   0.955 -26.286  10.273
  394    HB2  MET  47           HB2      MET  47  -0.329 -25.611   8.208
  395    HB3  MET  47           HB1      MET  47  -0.842 -27.292   8.057
  396    HG2  MET  47           HG2      MET  47  -2.589 -26.187   9.261
  397    HG3  MET  47           HG1      MET  47  -1.696 -27.112  10.457
  398    HE1  MET  47           HE1      MET  47  -2.032 -22.676   9.788
  399    HE2  MET  47           HE2      MET  47  -2.376 -24.005   8.692
  400    HE3  MET  47           HE3      MET  47  -0.740 -23.383   8.816
  401    H    HIS  48           HN       HIS  48   0.632 -29.194   8.239
  402    HA   HIS  48           HA       HIS  48  -0.614 -30.793  10.216
  403    HB2  HIS  48           HB2      HIS  48  -0.603 -31.306   7.777
  404    HB3  HIS  48           HB1      HIS  48   1.110 -31.712   7.905
  405    HD2  HIS  48           HD2      HIS  48  -2.364 -33.252   8.834
  406    HE1  HIS  48           HE1      HIS  48   0.618 -36.002  10.003
  407    HE2  HIS  48           HE2      HIS  48  -1.882 -35.660   9.722
  408    H    GLU  49           HN       GLU  49   2.779 -30.408   9.252
  409    HA   GLU  49           HA       GLU  49   3.754 -32.307  11.165
  410    HB2  GLU  49           HB2      GLU  49   5.144 -30.179   9.531
  411    HB3  GLU  49           HB1      GLU  49   5.989 -31.326  10.571
  412    HG2  GLU  49           HG2      GLU  49   4.105 -32.139   8.348
  413    HG3  GLU  49           HG1      GLU  49   5.853 -32.039   8.158
  414    H    LEU  50           HN       LEU  50   2.861 -28.994  11.251
  415    HA   LEU  50           HA       LEU  50   4.504 -28.063  13.294
  416    HB2  LEU  50           HB2      LEU  50   2.671 -26.862  11.753
  417    HB3  LEU  50           HB1      LEU  50   1.636 -27.154  13.133
  418    HG   LEU  50           HG       LEU  50   2.618 -24.968  13.432
  419   HD11  LEU  50          HD11      LEU  50   4.302 -26.749  15.179
  420   HD12  LEU  50          HD12      LEU  50   2.558 -26.652  15.403
  421   HD13  LEU  50          HD13      LEU  50   3.547 -25.223  15.592
  422   HD21  LEU  50          HD21      LEU  50   5.438 -25.958  13.523
  423   HD22  LEU  50          HD22      LEU  50   4.796 -24.435  12.933
  424   HD23  LEU  50          HD23      LEU  50   4.710 -25.854  11.929
  425    H    MET  51           HN       MET  51   1.345 -29.642  13.421
  426    HA   MET  51           HA       MET  51   1.039 -29.527  16.234
  427    HB2  MET  51           HB2      MET  51  -0.858 -29.958  14.736
  428    HB3  MET  51           HB1      MET  51  -0.123 -31.485  14.239
  429    HG2  MET  51           HG2      MET  51  -0.610 -30.955  17.165
  430    HG3  MET  51           HG1      MET  51  -1.940 -31.481  16.134
  431    HE1  MET  51           HE1      MET  51  -2.142 -33.481  17.803
  432    HE2  MET  51           HE2      MET  51  -1.657 -35.001  17.055
  433    HE3  MET  51           HE3      MET  51  -2.562 -33.815  16.116
  434    H    GLU  52           HN       GLU  52   2.568 -31.844  14.079
  435    HA   GLU  52           HA       GLU  52   2.922 -33.966  15.861
  436    HB2  GLU  52           HB2      GLU  52   4.729 -33.021  13.619
  437    HB3  GLU  52           HB1      GLU  52   4.853 -34.587  14.417
  438    HG2  GLU  52           HG2      GLU  52   2.368 -33.587  13.002
  439    HG3  GLU  52           HG1      GLU  52   3.553 -34.674  12.279
  440    H    LEU  53           HN       LEU  53   5.172 -31.297  15.127
  441    HA   LEU  53           HA       LEU  53   7.085 -32.019  17.074
  442    HB2  LEU  53           HB2      LEU  53   6.458 -29.522  15.522
  443    HB3  LEU  53           HB1      LEU  53   7.626 -29.427  16.833
  444    HG   LEU  53           HG       LEU  53   8.641 -29.913  14.567
  445   HD11  LEU  53          HD11      LEU  53  10.312 -31.136  15.557
  446   HD12  LEU  53          HD12      LEU  53   9.216 -32.359  16.186
  447   HD13  LEU  53          HD13      LEU  53   9.406 -30.829  17.031
  448   HD21  LEU  53          HD21      LEU  53   6.651 -31.464  13.968
  449   HD22  LEU  53          HD22      LEU  53   7.490 -32.692  14.902
  450   HD23  LEU  53          HD23      LEU  53   8.255 -31.989  13.483
  451    H    ILE  54           HN       ILE  54   4.377 -29.762  17.202
  452    HA   ILE  54           HA       ILE  54   4.885 -28.838  19.810
  453    HB   ILE  54           HB       ILE  54   2.327 -28.995  18.213
  454   HG12  ILE  54          HG12      ILE  54   4.103 -27.514  17.328
  455   HG13  ILE  54          HG11      ILE  54   2.728 -26.594  17.906
  456   HG21  ILE  54          HG21      ILE  54   1.575 -27.221  19.915
  457   HG22  ILE  54          HG22      ILE  54   2.918 -27.776  20.915
  458   HG23  ILE  54          HG23      ILE  54   1.619 -28.887  20.495
  459   HD11  ILE  54          HD11      ILE  54   5.487 -26.740  18.997
  460   HD12  ILE  54          HD12      ILE  54   4.201 -26.618  20.186
  461   HD13  ILE  54          HD13      ILE  54   4.375 -25.384  18.958
  462    H    ASP  55           HN       ASP  55   2.878 -31.481  18.615
  463    HA   ASP  55           HA       ASP  55   1.901 -32.210  21.189
  464    HB2  ASP  55           HB2      ASP  55   0.708 -32.765  19.095
  465    HB3  ASP  55           HB1      ASP  55   2.030 -33.838  18.640
  466    H    LEU  56           HN       LEU  56   4.382 -33.578  19.038
  467    HA   LEU  56           HA       LEU  56   5.157 -35.646  20.773
  468    HB2  LEU  56           HB2      LEU  56   6.638 -34.240  18.549
  469    HB3  LEU  56           HB1      LEU  56   7.271 -35.651  19.385
  470    HG   LEU  56           HG       LEU  56   4.549 -35.607  18.049
  471   HD11  LEU  56          HD11      LEU  56   7.174 -36.663  16.953
  472   HD12  LEU  56          HD12      LEU  56   6.346 -35.215  16.380
  473   HD13  LEU  56          HD13      LEU  56   5.597 -36.798  16.175
  474   HD21  LEU  56          HD21      LEU  56   4.522 -37.435  19.491
  475   HD22  LEU  56          HD22      LEU  56   6.262 -37.689  19.399
  476   HD23  LEU  56          HD23      LEU  56   5.227 -38.183  18.068
  477    H    TYR  57           HN       TYR  57   6.442 -32.393  20.297
  478    HA   TYR  57           HA       TYR  57   8.591 -32.639  22.120
  479    HB2  TYR  57           HB2      TYR  57   8.432 -30.862  20.397
  480    HB3  TYR  57           HB1      TYR  57   7.105 -30.133  21.302
  481    HD1  TYR  57           HD1      TYR  57  10.696 -31.110  21.521
  482    HD2  TYR  57           HD2      TYR  57   7.522 -28.742  23.185
  483    HE1  TYR  57           HE1      TYR  57  12.333 -29.931  22.962
  484    HE2  TYR  57           HE2      TYR  57   9.158 -27.563  24.626
  485    HH   TYR  57           HH       TYR  57  12.635 -28.133  24.306
  486    H    GLU  58           HN       GLU  58   5.318 -31.308  22.488
  487    HA   GLU  58           HA       GLU  58   5.597 -30.539  25.183
  488    HB2  GLU  58           HB2      GLU  58   3.187 -31.189  23.499
  489    HB3  GLU  58           HB1      GLU  58   3.062 -30.660  25.171
  490    HG2  GLU  58           HG2      GLU  58   4.621 -29.104  23.099
  491    HG3  GLU  58           HG1      GLU  58   2.915 -28.806  23.408
  492    H    GLU  59           HN       GLU  59   4.883 -33.583  23.675
  493    HA   GLU  59           HA       GLU  59   3.962 -34.840  26.116
  494    HB2  GLU  59           HB2      GLU  59   4.535 -35.819  23.323
  495    HB3  GLU  59           HB1      GLU  59   4.210 -36.950  24.637
  496    HG2  GLU  59           HG2      GLU  59   2.060 -35.872  25.075
  497    HG3  GLU  59           HG1      GLU  59   2.379 -34.669  23.834
  498    H    SER  60           HN       SER  60   6.972 -34.042  24.789
  499    HA   SER  60           HA       SER  60   8.540 -36.263  25.487
  500    HB2  SER  60           HB2      SER  60   9.310 -33.330  25.526
  501    HB3  SER  60           HB1      SER  60  10.429 -34.687  25.469
  502    HG   SER  60           HG       SER  60   9.448 -35.280  23.479
  503    H    GLN  61           HN       GLN  61   8.365 -33.201  27.302
  504    HA   GLN  61           HA       GLN  61   8.771 -34.751  29.792
  505    HB2  GLN  61           HB2      GLN  61  10.305 -32.627  28.743
  506    HB3  GLN  61           HB1      GLN  61   9.398 -31.915  30.076
  507    HG2  GLN  61           HG2      GLN  61  10.149 -33.767  31.539
  508    HG3  GLN  61           HG1      GLN  61  11.134 -34.384  30.213
  509   HE21  GLN  61          HE21      GLN  61  12.127 -31.935  29.158
  510   HE22  GLN  61          HE22      GLN  61  13.119 -31.208  30.326
  511    HA   PRO  62           HA       PRO  62   5.442 -31.643  30.853
  512    HB2  PRO  62           HB2      PRO  62   4.840 -29.598  29.111
  513    HB3  PRO  62           HB1      PRO  62   6.235 -29.545  30.200
  514    HG2  PRO  62           HG2      PRO  62   6.173 -29.861  27.286
  515    HG3  PRO  62           HG1      PRO  62   7.525 -29.422  28.331
  516    HD2  PRO  62           HD2      PRO  62   6.908 -32.040  27.187
  517    HD3  PRO  62           HD1      PRO  62   8.333 -31.520  28.079
  518    H    SER  63           HN       SER  63   4.470 -33.802  30.069
  519    HA   SER  63           HA       SER  63   2.735 -33.762  27.788
  520    HB2  SER  63           HB2      SER  63   2.762 -35.631  30.170
  521    HB3  SER  63           HB1      SER  63   1.905 -35.899  28.655
  522    HG   SER  63           HG       SER  63   4.632 -36.004  29.236
  523    H    SER  64           HN       SER  64   2.297 -33.391  31.288
  524    HA   SER  64           HA       SER  64  -0.458 -32.391  30.779
  525    HB2  SER  64           HB2      SER  64  -0.671 -34.413  32.005
  526    HB3  SER  64           HB1      SER  64   0.664 -33.994  33.076
  527    HG   SER  64           HG       SER  64  -0.585 -32.497  34.056
  528    H    GLU  65           HN       GLU  65   2.235 -31.004  30.911
  529    HA   GLU  65           HA       GLU  65   1.995 -29.403  33.342
  530    HB2  GLU  65           HB2      GLU  65   4.195 -30.188  32.184
  531    HB3  GLU  65           HB1      GLU  65   3.918 -28.847  31.085
  532    HG2  GLU  65           HG2      GLU  65   5.262 -27.927  32.811
  533    HG3  GLU  65           HG1      GLU  65   3.629 -27.399  33.197
  534    H    ARG  66           HN       ARG  66   3.200 -27.229  31.397
  535    HA   ARG  66           HA       ARG  66   0.938 -25.575  31.341
  536    HB2  ARG  66           HB2      ARG  66   3.722 -25.471  30.299
  537    HB3  ARG  66           HB1      ARG  66   2.573 -24.430  29.461
  538    HG2  ARG  66           HG2      ARG  66   3.565 -23.182  31.294
  539    HG3  ARG  66           HG1      ARG  66   1.873 -23.491  31.670
  540    HD2  ARG  66           HD2      ARG  66   2.481 -25.367  33.098
  541    HD3  ARG  66           HD1      ARG  66   4.178 -25.196  32.649
  542    HE   ARG  66           HE       ARG  66   3.632 -22.764  33.669
  543   HH11  ARG  66          HH21      ARG  66   2.920 -25.971  34.757
  544   HH12  ARG  66          HH22      ARG  66   3.010 -25.568  36.440
  545   HH21  ARG  66          HH11      ARG  66   3.754 -22.229  35.871
  546   HH22  ARG  66          HH12      ARG  66   3.482 -23.449  37.070
  547    H    LEU  67           HN       LEU  67   1.776 -28.160  29.337
  548    HA   LEU  67           HA       LEU  67   1.068 -27.529  26.812
  549    HB2  LEU  67           HB2      LEU  67   1.619 -29.812  27.398
  550    HB3  LEU  67           HB1      LEU  67   0.171 -29.951  28.395
  551    HG   LEU  67           HG       LEU  67  -1.254 -29.706  26.408
  552   HD11  LEU  67          HD11      LEU  67  -0.146 -28.279  24.927
  553   HD12  LEU  67          HD12      LEU  67   0.110 -29.832  24.149
  554   HD13  LEU  67          HD13      LEU  67   1.389 -29.107  25.111
  555   HD21  LEU  67          HD21      LEU  67   0.966 -31.740  26.149
  556   HD22  LEU  67          HD22      LEU  67  -0.491 -31.753  25.155
  557   HD23  LEU  67          HD23      LEU  67  -0.614 -31.964  26.902
  558    H    ASN  68           HN       ASN  68  -1.020 -27.584  29.592
  559    HA   ASN  68           HA       ASN  68  -3.524 -27.625  28.294
  560    HB2  ASN  68           HB2      ASN  68  -2.596 -26.508  30.943
  561    HB3  ASN  68           HB1      ASN  68  -4.277 -26.396  30.421
  562   HD21  ASN  68          HD21      ASN  68  -2.493 -28.214  32.421
  563   HD22  ASN  68          HD22      ASN  68  -3.206 -29.738  32.190
  564    H    ALA  69           HN       ALA  69  -1.352 -24.969  29.184
  565    HA   ALA  69           HA       ALA  69  -3.110 -22.907  28.247
  566    HB1  ALA  69           HB1      ALA  69  -0.160 -22.925  28.905
  567    HB2  ALA  69           HB2      ALA  69  -1.476 -22.328  29.914
  568    HB3  ALA  69           HB3      ALA  69  -1.045 -21.477  28.431
  569    H    PHE  70           HN       PHE  70  -0.317 -24.627  26.929
  570    HA   PHE  70           HA       PHE  70  -0.255 -23.134  24.477
  571    HB2  PHE  70           HB2      PHE  70   1.015 -25.730  25.343
  572    HB3  PHE  70           HB1      PHE  70   1.249 -25.041  23.739
  573    HD1  PHE  70           HD1      PHE  70   2.006 -22.541  23.647
  574    HD2  PHE  70           HD2      PHE  70   2.408 -25.047  27.113
  575    HE1  PHE  70           HE1      PHE  70   3.753 -21.025  24.541
  576    HE2  PHE  70           HE2      PHE  70   4.155 -23.531  28.005
  577    HZ   PHE  70           HZ       PHE  70   4.827 -21.520  26.722
  578    H    ARG  71           HN       ARG  71  -2.128 -25.722  25.692
  579    HA   ARG  71           HA       ARG  71  -2.736 -27.276  23.504
  580    HB2  ARG  71           HB2      ARG  71  -3.671 -27.616  25.777
  581    HB3  ARG  71           HB1      ARG  71  -4.726 -26.225  25.530
  582    HG2  ARG  71           HG2      ARG  71  -5.774 -27.340  23.608
  583    HG3  ARG  71           HG1      ARG  71  -4.691 -28.718  23.804
  584    HD2  ARG  71           HD2      ARG  71  -5.612 -29.018  26.123
  585    HD3  ARG  71           HD1      ARG  71  -6.787 -27.756  25.767
  586    HE   ARG  71           HE       ARG  71  -6.849 -30.478  24.815
  587   HH11  ARG  71          HH21      ARG  71  -7.755 -27.192  24.214
  588   HH12  ARG  71          HH22      ARG  71  -9.096 -27.604  23.198
  589   HH21  ARG  71          HH11      ARG  71  -8.603 -31.024  23.480
  590   HH22  ARG  71          HH12      ARG  71  -9.574 -29.772  22.780
  591    H    GLU  72           HN       GLU  72  -3.478 -23.942  24.060
  592    HA   GLU  72           HA       GLU  72  -5.628 -23.667  22.222
  593    HB2  GLU  72           HB2      GLU  72  -3.595 -21.673  23.250
  594    HB3  GLU  72           HB1      GLU  72  -4.977 -21.240  22.244
  595    HG2  GLU  72           HG2      GLU  72  -6.517 -22.133  23.923
  596    HG3  GLU  72           HG1      GLU  72  -5.160 -22.661  24.916
  597    H    LEU  73           HN       LEU  73  -2.116 -23.416  21.945
  598    HA   LEU  73           HA       LEU  73  -2.006 -22.496  19.294
  599    HB2  LEU  73           HB2      LEU  73  -0.024 -22.436  20.686
  600    HB3  LEU  73           HB1      LEU  73  -0.059 -24.186  20.890
  601    HG   LEU  73           HG       LEU  73   0.374 -24.506  18.493
  602   HD11  LEU  73          HD11      LEU  73  -0.696 -22.730  17.389
  603   HD12  LEU  73          HD12      LEU  73   1.001 -22.299  17.224
  604   HD13  LEU  73          HD13      LEU  73   0.008 -21.510  18.451
  605   HD21  LEU  73          HD21      LEU  73   2.312 -24.222  19.969
  606   HD22  LEU  73          HD22      LEU  73   2.243 -22.475  19.736
  607   HD23  LEU  73          HD23      LEU  73   2.633 -23.532  18.377
  608    H    ARG  74           HN       ARG  74  -2.120 -25.750  20.664
  609    HA   ARG  74           HA       ARG  74  -1.790 -27.179  18.264
  610    HB2  ARG  74           HB2      ARG  74  -3.149 -27.893  20.864
  611    HB3  ARG  74           HB1      ARG  74  -2.962 -29.035  19.533
  612    HG2  ARG  74           HG2      ARG  74  -0.524 -28.748  19.608
  613    HG3  ARG  74           HG1      ARG  74  -0.692 -27.569  20.910
  614    HD2  ARG  74           HD2      ARG  74  -0.129 -29.753  21.846
  615    HD3  ARG  74           HD1      ARG  74  -1.766 -29.305  22.320
  616    HE   ARG  74           HE       ARG  74  -1.826 -30.832  19.922
  617   HH11  ARG  74          HH21      ARG  74  -1.257 -31.044  23.326
  618   HH12  ARG  74          HH22      ARG  74  -1.750 -32.700  23.447
  619   HH21  ARG  74          HH11      ARG  74  -2.476 -33.008  20.070
  620   HH22  ARG  74          HH12      ARG  74  -2.438 -33.813  21.604
  621    H    THR  75           HN       THR  75  -4.605 -25.808  19.866
  622    HA   THR  75           HA       THR  75  -6.607 -26.979  18.292
  623    HB   THR  75           HB       THR  75  -6.708 -24.251  19.466
  624    HG1  THR  75           HG1      THR  75  -6.304 -25.319  21.237
  625   HG21  THR  75          HG21      THR  75  -8.809 -26.330  18.893
  626   HG22  THR  75          HG22      THR  75  -8.579 -24.819  18.013
  627   HG23  THR  75          HG23      THR  75  -9.113 -24.789  19.695
  628    H    GLN  76           HN       GLN  76  -4.773 -23.989  17.900
  629    HA   GLN  76           HA       GLN  76  -6.069 -22.968  15.651
  630    HB2  GLN  76           HB2      GLN  76  -3.280 -22.746  16.747
  631    HB3  GLN  76           HB1      GLN  76  -3.613 -22.079  15.150
  632    HG2  GLN  76           HG2      GLN  76  -3.917 -20.385  16.929
  633    HG3  GLN  76           HG1      GLN  76  -5.423 -20.714  16.074
  634   HE21  GLN  76          HE21      GLN  76  -4.081 -20.457  19.170
  635   HE22  GLN  76          HE22      GLN  76  -5.288 -21.283  20.030
  636    H    LEU  77           HN       LEU  77  -3.443 -25.334  15.891
  637    HA   LEU  77           HA       LEU  77  -2.967 -25.625  13.123
  638    HB2  LEU  77           HB2      LEU  77  -2.692 -27.752  15.263
  639    HB3  LEU  77           HB1      LEU  77  -1.853 -27.693  13.715
  640    HG   LEU  77           HG       LEU  77  -1.585 -25.597  15.882
  641   HD11  LEU  77          HD11      LEU  77  -0.642 -27.914  16.390
  642   HD12  LEU  77          HD12      LEU  77   0.495 -26.570  16.467
  643   HD13  LEU  77          HD13      LEU  77   0.468 -27.627  15.058
  644   HD21  LEU  77          HD21      LEU  77   0.506 -25.109  14.395
  645   HD22  LEU  77          HD22      LEU  77  -1.063 -24.524  13.861
  646   HD23  LEU  77          HD23      LEU  77  -0.380 -25.985  13.149
  647    H    GLU  78           HN       GLU  78  -5.142 -27.315  15.354
  648    HA   GLU  78           HA       GLU  78  -6.161 -29.137  13.426
  649    HB2  GLU  78           HB2      GLU  78  -6.308 -29.283  15.992
  650    HB3  GLU  78           HB1      GLU  78  -7.666 -28.161  15.860
  651    HG2  GLU  78           HG2      GLU  78  -7.511 -30.777  14.333
  652    HG3  GLU  78           HG1      GLU  78  -8.330 -30.601  15.881
  653    H    LYS  79           HN       LYS  79  -7.170 -25.940  14.544
  654    HA   LYS  79           HA       LYS  79  -9.618 -25.849  13.114
  655    HB2  LYS  79           HB2      LYS  79  -9.058 -24.348  15.006
  656    HB3  LYS  79           HB1      LYS  79  -7.860 -23.549  13.989
  657    HG2  LYS  79           HG2      LYS  79  -9.601 -22.906  12.390
  658    HG3  LYS  79           HG1      LYS  79 -10.817 -23.759  13.339
  659    HD2  LYS  79           HD2      LYS  79  -9.136 -21.666  14.710
  660    HD3  LYS  79           HD1      LYS  79 -10.438 -21.135  13.647
  661    HE2  LYS  79           HE2      LYS  79 -10.794 -23.104  15.926
  662    HE3  LYS  79           HE1      LYS  79 -11.175 -21.387  16.021
  663    HZ1  LYS  79           HZ1      LYS  79 -12.313 -22.682  13.724
  664    HZ2  LYS  79           HZ2      LYS  79 -13.049 -21.675  14.878
  665    HZ3  LYS  79           HZ3      LYS  79 -12.865 -23.335  15.190
  666    H    ALA  80           HN       ALA  80  -6.330 -24.737  12.401
  667    HA   ALA  80           HA       ALA  80  -6.906 -23.541   9.917
  668    HB1  ALA  80           HB1      ALA  80  -4.771 -23.302  11.272
  669    HB2  ALA  80           HB2      ALA  80  -4.546 -23.526   9.536
  670    HB3  ALA  80           HB3      ALA  80  -4.299 -24.879  10.641
  671    H    LEU  81           HN       LEU  81  -6.495 -26.839  10.901
  672    HA   LEU  81           HA       LEU  81  -5.843 -27.978   8.430
  673    HB2  LEU  81           HB2      LEU  81  -6.096 -29.000  10.915
  674    HB3  LEU  81           HB1      LEU  81  -7.677 -29.465  10.303
  675    HG   LEU  81           HG       LEU  81  -6.124 -31.283   9.860
  676   HD11  LEU  81          HD11      LEU  81  -6.581 -31.591   7.569
  677   HD12  LEU  81          HD12      LEU  81  -6.397 -29.886   7.199
  678   HD13  LEU  81          HD13      LEU  81  -7.830 -30.456   8.063
  679   HD21  LEU  81          HD21      LEU  81  -4.397 -29.764   7.971
  680   HD22  LEU  81          HD22      LEU  81  -3.961 -30.977   9.165
  681   HD23  LEU  81          HD23      LEU  81  -4.183 -29.307   9.660
  682    H    GLY  82           HN       GLY  82  -8.962 -27.240   9.909
  683    HA2  GLY  82           HA2      GLY  82 -10.545 -28.346   7.807
  684    HA3  GLY  82           HA1      GLY  82 -11.100 -27.216   9.041
  685    H    LEU  83           HN       LEU  83  -8.393 -25.937   7.642
  686    HA   LEU  83           HA       LEU  83  -8.037 -24.146   6.245
  687    HB2  LEU  83           HB2      LEU  83 -10.277 -25.388   4.625
  688    HB3  LEU  83           HB1      LEU  83  -9.032 -24.284   4.039
  689    HG   LEU  83           HG       LEU  83  -8.522 -27.039   5.195
  690   HD11  LEU  83          HD11      LEU  83  -9.604 -26.921   2.896
  691   HD12  LEU  83          HD12      LEU  83  -8.042 -27.738   2.951
  692   HD13  LEU  83          HD13      LEU  83  -8.151 -26.085   2.347
  693   HD21  LEU  83          HD21      LEU  83  -6.739 -24.799   4.240
  694   HD22  LEU  83          HD22      LEU  83  -6.205 -26.472   4.077
  695   HD23  LEU  83          HD23      LEU  83  -6.573 -25.822   5.669
  696    H    GLU  84           HN       GLU  84 -10.637 -24.408   8.124
  697    HA   GLU  84           HA       GLU  84 -12.380 -22.391   7.106
  698    HB2  GLU  84           HB2      GLU  84 -13.018 -24.134   8.803
  699    HB3  GLU  84           HB1      GLU  84 -12.046 -23.258   9.986
  700    HG2  GLU  84           HG2      GLU  84 -14.323 -22.508  10.235
  701    HG3  GLU  84           HG1      GLU  84 -13.425 -21.203   9.469
  702    H    HIS  85           HN       HIS  85 -12.289 -20.228   7.285
  703    HA   HIS  85           HA       HIS  85 -10.837 -18.885   9.360
  704    HB2  HIS  85           HB2      HIS  85  -8.956 -19.578   7.909
  705    HB3  HIS  85           HB1      HIS  85  -9.709 -18.738   6.553
  706    HD2  HIS  85           HD2      HIS  85  -9.334 -15.954   6.544
  707    HE1  HIS  85           HE1      HIS  85  -7.294 -15.701  10.232
  708    HE2  HIS  85           HE2      HIS  85  -8.005 -14.401   8.170
  709    H    HIS  86           HN       HIS  86 -12.255 -17.324   9.776
  710    HA   HIS  86           HA       HIS  86 -12.984 -15.433   7.695
  711    HB2  HIS  86           HB2      HIS  86 -15.413 -15.659   8.087
  712    HB3  HIS  86           HB1      HIS  86 -14.723 -17.134   7.410
  713    HD2  HIS  86           HD2      HIS  86 -16.785 -16.078  10.456
  714    HE1  HIS  86           HE1      HIS  86 -15.235 -19.897  11.366
  715    HE2  HIS  86           HE2      HIS  86 -16.895 -18.115  12.084
  716    H    HIS  87           HN       HIS  87 -14.037 -13.515   8.579
  717    HA   HIS  87           HA       HIS  87 -14.072 -13.253  11.498
  718    HB2  HIS  87           HB2      HIS  87 -12.291 -11.543   9.744
  719    HB3  HIS  87           HB1      HIS  87 -12.598 -11.281  11.460
  720    HD2  HIS  87           HD2      HIS  87 -10.230 -13.339   9.240
  721    HE1  HIS  87           HE1      HIS  87  -9.897 -14.933  13.135
  722    HE2  HIS  87           HE2      HIS  87  -8.881 -14.931  10.808
  723    H    HIS  88           HN       HIS  88 -15.084 -11.280  12.220
  724    HA   HIS  88           HA       HIS  88 -17.155 -10.402  10.355
  725    HB2  HIS  88           HB2      HIS  88 -17.733 -11.026  12.676
  726    HB3  HIS  88           HB1      HIS  88 -16.738  -9.693  13.265
  727    HD2  HIS  88           HD2      HIS  88 -18.180  -7.362  13.529
  728    HE1  HIS  88           HE1      HIS  88 -21.304  -8.268  10.838
  729    HE2  HIS  88           HE2      HIS  88 -20.434  -6.550  12.493
  730    H    HIS  89           HN       HIS  89 -16.464  -8.928   8.947
  731    HA   HIS  89           HA       HIS  89 -14.461  -6.992   9.376
  732    HB2  HIS  89           HB2      HIS  89 -16.697  -7.165   7.352
  733    HB3  HIS  89           HB1      HIS  89 -15.432  -5.938   7.300
  734    HD2  HIS  89           HD2      HIS  89 -15.946  -9.630   6.300
  735    HE1  HIS  89           HE1      HIS  89 -11.817  -8.838   5.910
  736    HE2  HIS  89           HE2      HIS  89 -13.658 -10.511   5.400
  737    H    HIS  90           HN       HIS  90 -18.031  -6.723   9.599
  738    HA   HIS  90           HA       HIS  90 -17.862  -3.901  10.247
  739    HB2  HIS  90           HB2      HIS  90 -19.827  -4.880   9.057
  740    HB3  HIS  90           HB1      HIS  90 -20.239  -5.751  10.535
  741    HD2  HIS  90           HD2      HIS  90 -20.126  -2.007   9.257
  742    HE1  HIS  90           HE1      HIS  90 -22.207  -2.112  12.930
  743    HE2  HIS  90           HE2      HIS  90 -21.524  -0.631  10.984