*HEADER    DNA BINDING PROTEIN                     19-JUL-19   6PV1              
*TITLE     BACKBONE-MODIFIED VARIANT OF ZINC FINGER 2 FROM THE TRANSCRIPTION     
*TITLE    2 FACTOR SP1 DNA BINDING DOMAIN: AIB IN THE METAL-BINDING TURN         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSCRIPTION FACTOR SP1;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DNA-BINDING DOMAIN, ZINC FINGER 2 RESIDUES 654-684;        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ZINC FINGER, PROTEOMIMETIC, FOLDAMER, DNA BINDING PROTEIN             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    S.R.RAO,W.S.HORNE                                                     
*REVDAT   1   24-JUN-20 6PV1    0                                                
# Restraints file 1: wsh2031_ambig.tbl
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name  HB1) 1.781 0.397 0.397 weight 1.000 ! spec=NOESY, no=6, id=3, vol=1.930000e+08
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name  HB1)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HG2)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HG1)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB2) 2.093 0.548 0.548 weight 1.000 ! spec=NOESY, no=22, id=19, vol=7.330000e+07
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB1)
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HG2)
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HG1)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HE2) 2.109 0.556 0.556 weight 1.000 ! spec=NOESY, no=23, id=20, vol=7.000000e+07
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HE2)
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name  HD2)
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name  HD1)
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name  HD2)
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name  HG2) 2.207 0.609 0.609 weight 1.000 ! spec=NOESY, no=33, id=30, vol=5.340000e+07
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid    9 and name  HA1) (segid "    " and resid    9 and name   HN) 2.232 0.623 0.623 weight 1.000 ! spec=NOESY, no=39, id=36, vol=4.980000e+07
    or (segid "    " and resid    9 and name  HA1) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.297 0.659 0.659 weight 1.000 ! spec=NOESY, no=51, id=48, vol=4.200000e+07
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HN) 2.331 0.679 0.679 weight 1.000 ! spec=NOESY, no=59, id=56, vol=3.840000e+07
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid    9 and name  HA2) (segid "    " and resid    9 and name   HN) 2.367 0.700 0.700 weight 1.000 ! spec=NOESY, no=72, id=69, vol=3.510000e+07
    or (segid "    " and resid    9 and name  HA2) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN) 2.402 0.721 0.721 weight 1.000 ! spec=NOESY, no=83, id=80, vol=3.210000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name   HN) 2.475 0.766 0.766 weight 1.000 ! spec=NOESY, no=107, id=104, vol=2.680000e+07
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name   HN)
assign (segid "    " and resid   29 and name  HA2) (segid "    " and resid   29 and name   HN) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=129, id=126, vol=2.260000e+07
    or (segid "    " and resid   29 and name  HA2) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   29 and name  HA1) (segid "    " and resid   29 and name   HN) 2.550 0.813 0.813 weight 1.000 ! spec=NOESY, no=132, id=129, vol=2.240000e+07
    or (segid "    " and resid   29 and name  HA1) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   11 and name  HA2) (segid "    " and resid   12 and name   HN) 2.588 0.837 0.837 weight 1.000 ! spec=NOESY, no=153, id=150, vol=2.050000e+07
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   31 and name   HN) 2.665 0.888 0.888 weight 1.000 ! spec=NOESY, no=188, id=185, vol=1.720000e+07
    or (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name   HN)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.665 0.888 0.888 weight 1.000 ! spec=NOESY, no=190, id=187, vol=1.720000e+07
    or (segid "    " and resid   26 and name   HB) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name   HN) 2.686 0.902 0.902 weight 1.000 ! spec=NOESY, no=200, id=197, vol=1.640000e+07
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid    8 and name HB12) (segid "    " and resid    9 and name   HN) 2.745 0.942 0.942 weight 1.000 ! spec=NOESY, no=224, id=220, vol=1.440000e+07
    or (segid "    " and resid    8 and name HB11) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    8 and name HB13) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid   20 and name HD22) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 2.749 0.944 0.944 weight 1.000 ! spec=NOESY, no=226, id=222, vol=1.430000e+07
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name   HN) 2.775 0.963 0.963 weight 1.000 ! spec=NOESY, no=232, id=228, vol=1.350000e+07
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name   HA) 2.815 0.990 0.990 weight 1.000 ! spec=NOESY, no=247, id=243, vol=1.240000e+07
    or (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name   HN) 2.815 0.990 0.990 weight 1.000 ! spec=NOESY, no=248, id=244, vol=1.240000e+07
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name   HN)
    or (segid "    " and resid   21 and name  HB2) (segid "    " and resid   19 and name   HN)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   12 and name  HE2) (segid "    " and resid   14 and name   HZ) 2.826 0.998 0.998 weight 1.000 ! spec=NOESY, no=251, id=247, vol=1.210000e+07
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   14 and name   HZ)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name   HN) 2.854 1.018 1.018 weight 1.000 ! spec=NOESY, no=260, id=256, vol=1.140000e+07
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   14 and name   HZ) 2.903 1.053 1.053 weight 1.000 ! spec=NOESY, no=280, id=276, vol=1.030000e+07
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   27 and name  HD2)
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid    7 and name  HZ2) 2.913 1.060 1.060 weight 1.000 ! spec=NOESY, no=283, id=279, vol=1.010000e+07
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   28 and name   HN)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD12) 2.918 1.065 1.065 weight 1.000 ! spec=NOESY, no=285, id=281, vol=9.980000e+06
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD13)
    or (segid "    " and resid   24 and name  HE1) (segid "    " and resid   20 and name HD12)
    or (segid "    " and resid   24 and name  HE1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   24 and name  HE1) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name  HE1) 2.921 1.066 1.066 weight 1.000 ! spec=NOESY, no=286, id=282, vol=9.930000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   12 and name  HE2) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   12 and name  HE2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   20 and name HD22) 2.931 1.074 1.074 weight 1.000 ! spec=NOESY, no=289, id=285, vol=9.730000e+06
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   20 and name HD23)
    or (segid "    " and resid   24 and name  HE1) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid   24 and name  HE1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   24 and name  HE1) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name   HA) 2.934 1.076 1.076 weight 1.000 ! spec=NOESY, no=291, id=287, vol=9.660000e+06
    or (segid "    " and resid   24 and name  HD2) (segid "    " and resid   21 and name   HA)
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name HD12) 2.973 1.105 1.105 weight 1.000 ! spec=NOESY, no=305, id=301, vol=8.920000e+06
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name HD13)
    or (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HG1)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   14 and name  HD1) 2.990 1.117 1.117 weight 1.000 ! spec=NOESY, no=314, id=310, vol=8.630000e+06
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   14 and name  HD2)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   20 and name   HN) 3.000 1.125 1.125 weight 1.000 ! spec=NOESY, no=319, id=315, vol=8.450000e+06
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   21 and name  HB2) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HB1) 3.116 1.213 1.213 weight 1.000 ! spec=NOESY, no=365, id=361, vol=6.740000e+06
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HB1)
    or (segid "    " and resid   21 and name  HB2) (segid "    " and resid   18 and name  HB2)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    5 and name   HN) 3.118 1.215 1.215 weight 1.000 ! spec=NOESY, no=367, id=363, vol=6.710000e+06
    or (segid "    " and resid   20 and name HD12) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    4 and name   HN) 3.168 1.254 1.254 weight 1.000 ! spec=NOESY, no=380, id=376, vol=6.100000e+06
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   14 and name  HD1) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   20 and name HD22) (segid "    " and resid   20 and name   HN) 3.186 1.268 1.268 weight 1.000 ! spec=NOESY, no=384, id=380, vol=5.900000e+06
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   20 and name HD12) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    9 and name   HN) 3.295 1.357 1.357 weight 1.000 ! spec=NOESY, no=417, id=412, vol=4.820000e+06
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name   HN) 3.343 1.397 1.397 weight 1.000 ! spec=NOESY, no=435, id=430, vol=4.420000e+06
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid   15 and name   HN) 3.431 1.471 1.471 weight 1.000 ! spec=NOESY, no=450, id=445, vol=3.780000e+06
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   15 and name   HN)
    or (segid "    " and resid   14 and name  HD1) (segid "    " and resid   15 and name   HN)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    7 and name   HN) 3.492 1.524 1.524 weight 1.000 ! spec=NOESY, no=462, id=457, vol=3.400000e+06
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid   10 and name   HN) 3.518 1.547 1.547 weight 1.000 ! spec=NOESY, no=464, id=459, vol=3.250000e+06
    or (segid "    " and resid    7 and name  HD1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   27 and name  HE1) 3.548 1.574 1.574 weight 1.000 ! spec=NOESY, no=468, id=463, vol=3.090000e+06
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   27 and name  HE1)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   27 and name  HE1)
    or (segid "    " and resid    8 and name HB12) (segid "    " and resid   27 and name  HE1)
    or (segid "    " and resid    8 and name HB11) (segid "    " and resid   27 and name  HE1)
    or (segid "    " and resid    8 and name HB13) (segid "    " and resid   27 and name  HE1)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    9 and name   HN) 3.616 1.634 1.634 weight 1.000 ! spec=NOESY, no=475, id=470, vol=2.760000e+06
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid   10 and name   HN)
# Restraints file 2: wsh2031_unambig.tbl
assign (segid "    " and resid   11 and name  HA1) (segid "    " and resid   11 and name  HA2) 1.694 0.359 0.359 weight 1.000 ! spec=NOESY, no=3, id=0, vol=2.610000e+08
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name  HB2) 1.721 0.370 0.370 weight 1.000 ! spec=NOESY, no=4, id=1, vol=2.370000e+08
assign (segid "    " and resid    9 and name  HA1) (segid "    " and resid    9 and name  HA2) 1.750 0.383 0.383 weight 1.000 ! spec=NOESY, no=5, id=2, vol=2.150000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HB2) 1.814 0.411 0.411 weight 1.000 ! spec=NOESY, no=7, id=4, vol=1.730000e+08
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name  HB2) 1.823 0.415 0.415 weight 1.000 ! spec=NOESY, no=8, id=5, vol=1.680000e+08
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HB2) 1.884 0.444 0.444 weight 1.000 ! spec=NOESY, no=9, id=6, vol=1.380000e+08
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HB2) 1.895 0.449 0.449 weight 1.000 ! spec=NOESY, no=10, id=7, vol=1.330000e+08
assign (segid "    " and resid    7 and name  HZ3) (segid "    " and resid    7 and name  HH2) 1.898 0.450 0.450 weight 1.000 ! spec=NOESY, no=11, id=8, vol=1.320000e+08
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HB2) 1.900 0.451 0.451 weight 1.000 ! spec=NOESY, no=12, id=9, vol=1.310000e+08
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name  HE1) 1.900 0.451 0.451 weight 1.000 ! spec=NOESY, no=13, id=10, vol=1.310000e+08
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HB2) 1.915 0.458 0.458 weight 1.000 ! spec=NOESY, no=14, id=11, vol=1.250000e+08
assign (segid "    " and resid   32 and name  HN1) (segid "    " and resid   32 and name  HN2) 1.923 0.462 0.462 weight 1.000 ! spec=NOESY, no=15, id=12, vol=1.220000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HB2) 1.936 0.469 0.469 weight 1.000 ! spec=NOESY, no=16, id=13, vol=1.170000e+08
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid   14 and name  HD1) 1.968 0.484 0.484 weight 1.000 ! spec=NOESY, no=17, id=14, vol=1.060000e+08
    or (segid "    " and resid   14 and name  HE1) (segid "    " and resid   14 and name  HD2)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name  HB2) 1.975 0.487 0.487 weight 1.000 ! spec=NOESY, no=18, id=15, vol=1.040000e+08
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name  HB2)
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HE1) 2.039 0.519 0.519 weight 1.000 ! spec=NOESY, no=19, id=16, vol=8.590000e+07
    or (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name   HN) 2.071 0.536 0.536 weight 1.000 ! spec=NOESY, no=20, id=17, vol=7.810000e+07
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD12) 2.077 0.539 0.539 weight 1.000 ! spec=NOESY, no=21, id=18, vol=7.670000e+07
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG21) 2.114 0.559 0.559 weight 1.000 ! spec=NOESY, no=24, id=21, vol=6.900000e+07
    or (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG23)
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HB2) 2.146 0.576 0.576 weight 1.000 ! spec=NOESY, no=25, id=22, vol=6.310000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name   HN) 2.155 0.580 0.580 weight 1.000 ! spec=NOESY, no=26, id=23, vol=6.160000e+07
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HB) 2.168 0.588 0.588 weight 1.000 ! spec=NOESY, no=27, id=24, vol=5.930000e+07
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HB)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HB)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HN) 2.175 0.591 0.591 weight 1.000 ! spec=NOESY, no=28, id=25, vol=5.820000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.182 0.595 0.595 weight 1.000 ! spec=NOESY, no=29, id=26, vol=5.720000e+07
assign (segid "    " and resid   11 and name  HA1) (segid "    " and resid   11 and name   HN) 2.185 0.597 0.597 weight 1.000 ! spec=NOESY, no=30, id=27, vol=5.660000e+07
assign (segid "    " and resid    8 and name HB22) (segid "    " and resid    8 and name HB12) 2.197 0.603 0.603 weight 1.000 ! spec=NOESY, no=31, id=28, vol=5.480000e+07
    or (segid "    " and resid    8 and name HB22) (segid "    " and resid    8 and name HB11)
    or (segid "    " and resid    8 and name HB22) (segid "    " and resid    8 and name HB13)
    or (segid "    " and resid    8 and name HB21) (segid "    " and resid    8 and name HB12)
    or (segid "    " and resid    8 and name HB21) (segid "    " and resid    8 and name HB11)
    or (segid "    " and resid    8 and name HB21) (segid "    " and resid    8 and name HB13)
    or (segid "    " and resid    8 and name HB23) (segid "    " and resid    8 and name HB12)
    or (segid "    " and resid    8 and name HB23) (segid "    " and resid    8 and name HB11)
    or (segid "    " and resid    8 and name HB23) (segid "    " and resid    8 and name HB13)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HA) 2.204 0.607 0.607 weight 1.000 ! spec=NOESY, no=32, id=29, vol=5.380000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name  HD2) 2.207 0.609 0.609 weight 1.000 ! spec=NOESY, no=34, id=31, vol=5.330000e+07
assign (segid "    " and resid    8 and name HB22) (segid "    " and resid    9 and name   HN) 2.208 0.609 0.609 weight 1.000 ! spec=NOESY, no=35, id=32, vol=5.320000e+07
    or (segid "    " and resid    8 and name HB21) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    8 and name HB23) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name   HN) 2.215 0.613 0.613 weight 1.000 ! spec=NOESY, no=36, id=33, vol=5.220000e+07
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD1) 2.223 0.618 0.618 weight 1.000 ! spec=NOESY, no=37, id=34, vol=5.110000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.227 0.620 0.620 weight 1.000 ! spec=NOESY, no=38, id=35, vol=5.060000e+07
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HN) 2.239 0.627 0.627 weight 1.000 ! spec=NOESY, no=40, id=37, vol=4.890000e+07
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid    7 and name  HZ3) (segid "    " and resid    7 and name  HE3) 2.257 0.637 0.637 weight 1.000 ! spec=NOESY, no=42, id=39, vol=4.660000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HA) 2.266 0.642 0.642 weight 1.000 ! spec=NOESY, no=43, id=40, vol=4.560000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HD1) 2.270 0.644 0.644 weight 1.000 ! spec=NOESY, no=44, id=41, vol=4.510000e+07
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid    7 and name  HE1) 2.275 0.647 0.647 weight 1.000 ! spec=NOESY, no=45, id=42, vol=4.450000e+07
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HA) 2.276 0.648 0.648 weight 1.000 ! spec=NOESY, no=46, id=43, vol=4.430000e+07
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HA)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HA)
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name   HN) 2.276 0.648 0.648 weight 1.000 ! spec=NOESY, no=47, id=44, vol=4.430000e+07
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name HG21) 2.278 0.649 0.649 weight 1.000 ! spec=NOESY, no=48, id=45, vol=4.410000e+07
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name HG23)
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HD2) 2.280 0.650 0.650 weight 1.000 ! spec=NOESY, no=49, id=46, vol=4.390000e+07
    or (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HD1)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.296 0.659 0.659 weight 1.000 ! spec=NOESY, no=50, id=47, vol=4.210000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HA) 2.300 0.661 0.661 weight 1.000 ! spec=NOESY, no=52, id=49, vol=4.170000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   23 and name  HD2) 2.307 0.665 0.665 weight 1.000 ! spec=NOESY, no=53, id=50, vol=4.090000e+07
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG21) 2.315 0.670 0.670 weight 1.000 ! spec=NOESY, no=54, id=51, vol=4.010000e+07
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HD1) 2.320 0.673 0.673 weight 1.000 ! spec=NOESY, no=55, id=52, vol=3.950000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD12) 2.325 0.676 0.676 weight 1.000 ! spec=NOESY, no=56, id=53, vol=3.900000e+07
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HD2) 2.329 0.678 0.678 weight 1.000 ! spec=NOESY, no=57, id=54, vol=3.860000e+07
    or (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HD1)
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HD2)
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HD1)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HA) 2.330 0.679 0.679 weight 1.000 ! spec=NOESY, no=58, id=55, vol=3.850000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD1) 2.334 0.681 0.681 weight 1.000 ! spec=NOESY, no=60, id=57, vol=3.810000e+07
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HB1) 2.344 0.687 0.687 weight 1.000 ! spec=NOESY, no=62, id=59, vol=3.720000e+07
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HD2) 2.344 0.687 0.687 weight 1.000 ! spec=NOESY, no=63, id=60, vol=3.720000e+07
    or (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HN) 2.347 0.688 0.688 weight 1.000 ! spec=NOESY, no=64, id=61, vol=3.690000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 2.350 0.690 0.690 weight 1.000 ! spec=NOESY, no=65, id=62, vol=3.660000e+07
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HA) 2.355 0.694 0.694 weight 1.000 ! spec=NOESY, no=66, id=63, vol=3.610000e+07
assign (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name HG21) 2.360 0.696 0.696 weight 1.000 ! spec=NOESY, no=68, id=65, vol=3.570000e+07
    or (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name HG22)
    or (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name HG23)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HN) 2.363 0.698 0.698 weight 1.000 ! spec=NOESY, no=69, id=66, vol=3.540000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HN) 2.365 0.699 0.699 weight 1.000 ! spec=NOESY, no=70, id=67, vol=3.520000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name   HA) 2.365 0.699 0.699 weight 1.000 ! spec=NOESY, no=71, id=68, vol=3.520000e+07
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HA) 2.367 0.700 0.700 weight 1.000 ! spec=NOESY, no=73, id=70, vol=3.510000e+07
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HN) 2.377 0.706 0.706 weight 1.000 ! spec=NOESY, no=74, id=71, vol=3.420000e+07
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HA) 2.385 0.711 0.711 weight 1.000 ! spec=NOESY, no=75, id=72, vol=3.350000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN) 2.386 0.712 0.712 weight 1.000 ! spec=NOESY, no=76, id=73, vol=3.340000e+07
assign (segid "    " and resid    8 and name HB12) (segid "    " and resid    8 and name   HN) 2.387 0.712 0.712 weight 1.000 ! spec=NOESY, no=77, id=74, vol=3.330000e+07
    or (segid "    " and resid    8 and name HB11) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    8 and name HB13) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HN) 2.391 0.715 0.715 weight 1.000 ! spec=NOESY, no=78, id=75, vol=3.300000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HA) 2.391 0.715 0.715 weight 1.000 ! spec=NOESY, no=79, id=76, vol=3.300000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HN) 2.392 0.715 0.715 weight 1.000 ! spec=NOESY, no=80, id=77, vol=3.290000e+07
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HA) 2.395 0.717 0.717 weight 1.000 ! spec=NOESY, no=81, id=78, vol=3.270000e+07
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HA) 2.400 0.720 0.720 weight 1.000 ! spec=NOESY, no=82, id=79, vol=3.230000e+07
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=NOESY, no=85, id=82, vol=3.110000e+07
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name   HN) 2.417 0.730 0.730 weight 1.000 ! spec=NOESY, no=86, id=83, vol=3.090000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name   HN) 2.419 0.731 0.731 weight 1.000 ! spec=NOESY, no=87, id=84, vol=3.080000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB1) 2.424 0.734 0.734 weight 1.000 ! spec=NOESY, no=88, id=85, vol=3.040000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB2) 2.431 0.738 0.738 weight 1.000 ! spec=NOESY, no=89, id=86, vol=2.990000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG2) 2.433 0.740 0.740 weight 1.000 ! spec=NOESY, no=90, id=87, vol=2.970000e+07
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name  HD2) 2.443 0.746 0.746 weight 1.000 ! spec=NOESY, no=91, id=88, vol=2.900000e+07
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HN) 2.443 0.746 0.746 weight 1.000 ! spec=NOESY, no=92, id=89, vol=2.900000e+07
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.446 0.748 0.748 weight 1.000 ! spec=NOESY, no=93, id=90, vol=2.880000e+07
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD2) 2.447 0.749 0.749 weight 1.000 ! spec=NOESY, no=94, id=91, vol=2.870000e+07
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   18 and name   HA) 2.449 0.749 0.749 weight 1.000 ! spec=NOESY, no=95, id=92, vol=2.860000e+07
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   18 and name   HA)
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name   HN) 2.453 0.752 0.752 weight 1.000 ! spec=NOESY, no=96, id=93, vol=2.830000e+07
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HB2) 2.460 0.757 0.757 weight 1.000 ! spec=NOESY, no=97, id=94, vol=2.780000e+07
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name   HA) 2.462 0.758 0.758 weight 1.000 ! spec=NOESY, no=98, id=95, vol=2.770000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HN) 2.463 0.758 0.758 weight 1.000 ! spec=NOESY, no=99, id=96, vol=2.760000e+07
assign (segid "    " and resid   11 and name  HA2) (segid "    " and resid   11 and name   HN) 2.463 0.758 0.758 weight 1.000 ! spec=NOESY, no=100, id=97, vol=2.760000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HG2) 2.465 0.759 0.759 weight 1.000 ! spec=NOESY, no=101, id=98, vol=2.750000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2) 2.465 0.759 0.759 weight 1.000 ! spec=NOESY, no=102, id=99, vol=2.750000e+07
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HG21) 2.465 0.759 0.759 weight 1.000 ! spec=NOESY, no=103, id=100, vol=2.750000e+07
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HG22)
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HG23)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.466 0.760 0.760 weight 1.000 ! spec=NOESY, no=104, id=101, vol=2.740000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD12) 2.468 0.761 0.761 weight 1.000 ! spec=NOESY, no=105, id=102, vol=2.730000e+07
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid   14 and name   HN) 2.472 0.764 0.764 weight 1.000 ! spec=NOESY, no=106, id=103, vol=2.700000e+07
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   27 and name  HE1) 2.475 0.766 0.766 weight 1.000 ! spec=NOESY, no=108, id=105, vol=2.680000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB2) 2.482 0.770 0.770 weight 1.000 ! spec=NOESY, no=109, id=106, vol=2.640000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HE3) 2.486 0.773 0.773 weight 1.000 ! spec=NOESY, no=110, id=107, vol=2.610000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   17 and name   HA) 2.498 0.780 0.780 weight 1.000 ! spec=NOESY, no=111, id=108, vol=2.540000e+07
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HB2) 2.498 0.780 0.780 weight 1.000 ! spec=NOESY, no=112, id=109, vol=2.540000e+07
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD12) 2.508 0.786 0.786 weight 1.000 ! spec=NOESY, no=113, id=110, vol=2.480000e+07
    or (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD13)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD12)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HD1) 2.508 0.786 0.786 weight 1.000 ! spec=NOESY, no=114, id=111, vol=2.480000e+07
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HN) 2.511 0.788 0.788 weight 1.000 ! spec=NOESY, no=115, id=112, vol=2.460000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB1) 2.514 0.790 0.790 weight 1.000 ! spec=NOESY, no=116, id=113, vol=2.440000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid    3 and name  HB1) 2.518 0.792 0.792 weight 1.000 ! spec=NOESY, no=117, id=114, vol=2.420000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD22) 2.521 0.795 0.795 weight 1.000 ! spec=NOESY, no=118, id=115, vol=2.400000e+07
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   14 and name  HE1) 2.523 0.796 0.796 weight 1.000 ! spec=NOESY, no=119, id=116, vol=2.390000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD1) 2.523 0.796 0.796 weight 1.000 ! spec=NOESY, no=120, id=117, vol=2.390000e+07
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HA) 2.525 0.797 0.797 weight 1.000 ! spec=NOESY, no=121, id=118, vol=2.380000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HD2) 2.530 0.800 0.800 weight 1.000 ! spec=NOESY, no=122, id=119, vol=2.350000e+07
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HD1) 2.532 0.801 0.801 weight 1.000 ! spec=NOESY, no=123, id=120, vol=2.340000e+07
    or (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HD2)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 2.534 0.802 0.802 weight 1.000 ! spec=NOESY, no=124, id=121, vol=2.330000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HB2) 2.534 0.802 0.802 weight 1.000 ! spec=NOESY, no=125, id=122, vol=2.330000e+07
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HD2) 2.534 0.802 0.802 weight 1.000 ! spec=NOESY, no=126, id=123, vol=2.330000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB1) 2.536 0.804 0.804 weight 1.000 ! spec=NOESY, no=127, id=124, vol=2.320000e+07
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name   HN) 2.537 0.805 0.805 weight 1.000 ! spec=NOESY, no=128, id=125, vol=2.310000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name HD12) 2.549 0.812 0.812 weight 1.000 ! spec=NOESY, no=130, id=127, vol=2.250000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD22) 2.549 0.812 0.812 weight 1.000 ! spec=NOESY, no=131, id=128, vol=2.250000e+07
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name   HA) 2.552 0.814 0.814 weight 1.000 ! spec=NOESY, no=133, id=130, vol=2.230000e+07
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid    8 and name HB22) (segid "    " and resid    8 and name   HN) 2.554 0.816 0.816 weight 1.000 ! spec=NOESY, no=134, id=131, vol=2.220000e+07
    or (segid "    " and resid    8 and name HB21) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    8 and name HB23) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   19 and name   HA) 2.556 0.817 0.817 weight 1.000 ! spec=NOESY, no=135, id=132, vol=2.210000e+07
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN) 2.556 0.817 0.817 weight 1.000 ! spec=NOESY, no=136, id=133, vol=2.210000e+07
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name   HA) 2.558 0.818 0.818 weight 1.000 ! spec=NOESY, no=137, id=134, vol=2.200000e+07
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD12) 2.560 0.819 0.819 weight 1.000 ! spec=NOESY, no=138, id=135, vol=2.190000e+07
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name  HB2) 2.562 0.820 0.820 weight 1.000 ! spec=NOESY, no=139, id=136, vol=2.180000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   21 and name   HA) 2.566 0.823 0.823 weight 1.000 ! spec=NOESY, no=140, id=137, vol=2.160000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid    2 and name  HD2) (segid "    " and resid    1 and name   HA) 2.568 0.824 0.824 weight 1.000 ! spec=NOESY, no=141, id=138, vol=2.150000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HA) 2.568 0.824 0.824 weight 1.000 ! spec=NOESY, no=142, id=139, vol=2.150000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG21) 2.570 0.826 0.826 weight 1.000 ! spec=NOESY, no=143, id=140, vol=2.140000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HD2) 2.572 0.827 0.827 weight 1.000 ! spec=NOESY, no=144, id=141, vol=2.130000e+07
    or (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   14 and name  HE1) 2.572 0.827 0.827 weight 1.000 ! spec=NOESY, no=145, id=142, vol=2.130000e+07
    or (segid "    " and resid   20 and name HD12) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB2) 2.572 0.827 0.827 weight 1.000 ! spec=NOESY, no=146, id=143, vol=2.130000e+07
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD12) 2.572 0.827 0.827 weight 1.000 ! spec=NOESY, no=147, id=144, vol=2.130000e+07
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 2.574 0.828 0.828 weight 1.000 ! spec=NOESY, no=148, id=145, vol=2.120000e+07
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN) 2.578 0.831 0.831 weight 1.000 ! spec=NOESY, no=149, id=146, vol=2.100000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid    3 and name  HB2) 2.582 0.833 0.833 weight 1.000 ! spec=NOESY, no=150, id=147, vol=2.080000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   23 and name  HE1) 2.584 0.835 0.835 weight 1.000 ! spec=NOESY, no=151, id=148, vol=2.070000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HA) 2.586 0.836 0.836 weight 1.000 ! spec=NOESY, no=152, id=149, vol=2.060000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.591 0.839 0.839 weight 1.000 ! spec=NOESY, no=154, id=151, vol=2.040000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name  HE1) 2.593 0.840 0.840 weight 1.000 ! spec=NOESY, no=155, id=152, vol=2.030000e+07
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HN) 2.595 0.842 0.842 weight 1.000 ! spec=NOESY, no=156, id=153, vol=2.020000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HN) 2.597 0.843 0.843 weight 1.000 ! spec=NOESY, no=157, id=154, vol=2.010000e+07
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HD2) 2.597 0.843 0.843 weight 1.000 ! spec=NOESY, no=158, id=155, vol=2.010000e+07
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   14 and name   HZ) 2.599 0.844 0.844 weight 1.000 ! spec=NOESY, no=159, id=156, vol=2.000000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   16 and name   HN) 2.601 0.846 0.846 weight 1.000 ! spec=NOESY, no=160, id=157, vol=1.990000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name   HA) 2.603 0.847 0.847 weight 1.000 ! spec=NOESY, no=161, id=158, vol=1.980000e+07
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HA) 2.603 0.847 0.847 weight 1.000 ! spec=NOESY, no=162, id=159, vol=1.980000e+07
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   22 and name   HN) 2.606 0.849 0.849 weight 1.000 ! spec=NOESY, no=163, id=160, vol=1.970000e+07
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN) 2.606 0.849 0.849 weight 1.000 ! spec=NOESY, no=164, id=161, vol=1.970000e+07
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name  HE1) 2.606 0.849 0.849 weight 1.000 ! spec=NOESY, no=165, id=162, vol=1.970000e+07
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name   HN) 2.619 0.857 0.857 weight 1.000 ! spec=NOESY, no=166, id=163, vol=1.910000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD12) 2.619 0.857 0.857 weight 1.000 ! spec=NOESY, no=167, id=164, vol=1.910000e+07
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HD1) 2.621 0.859 0.859 weight 1.000 ! spec=NOESY, no=168, id=165, vol=1.900000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.621 0.859 0.859 weight 1.000 ! spec=NOESY, no=169, id=166, vol=1.900000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name   HN) 2.624 0.860 0.860 weight 1.000 ! spec=NOESY, no=170, id=167, vol=1.890000e+07
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   24 and name   HN) 2.624 0.860 0.860 weight 1.000 ! spec=NOESY, no=171, id=168, vol=1.890000e+07
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HA) 2.628 0.864 0.864 weight 1.000 ! spec=NOESY, no=172, id=169, vol=1.870000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   23 and name   HA) 2.628 0.864 0.864 weight 1.000 ! spec=NOESY, no=173, id=170, vol=1.870000e+07
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   23 and name   HA)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   23 and name   HA)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name   HN) 2.631 0.865 0.865 weight 1.000 ! spec=NOESY, no=174, id=171, vol=1.860000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 2.638 0.870 0.870 weight 1.000 ! spec=NOESY, no=175, id=172, vol=1.830000e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name   HN) 2.640 0.871 0.871 weight 1.000 ! spec=NOESY, no=176, id=173, vol=1.820000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN) 2.640 0.871 0.871 weight 1.000 ! spec=NOESY, no=177, id=174, vol=1.820000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name   HN) 2.643 0.873 0.873 weight 1.000 ! spec=NOESY, no=178, id=175, vol=1.810000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name   HN) 2.645 0.875 0.875 weight 1.000 ! spec=NOESY, no=179, id=176, vol=1.800000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name   HN) 2.645 0.875 0.875 weight 1.000 ! spec=NOESY, no=180, id=177, vol=1.800000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB2) 2.650 0.878 0.878 weight 1.000 ! spec=NOESY, no=181, id=178, vol=1.780000e+07
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name   HN) 2.653 0.879 0.879 weight 1.000 ! spec=NOESY, no=182, id=179, vol=1.770000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.653 0.879 0.879 weight 1.000 ! spec=NOESY, no=183, id=180, vol=1.770000e+07
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.653 0.879 0.879 weight 1.000 ! spec=NOESY, no=184, id=181, vol=1.770000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.655 0.881 0.881 weight 1.000 ! spec=NOESY, no=185, id=182, vol=1.760000e+07
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HA) 2.660 0.885 0.885 weight 1.000 ! spec=NOESY, no=186, id=183, vol=1.740000e+07
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid   20 and name HD22) 2.665 0.888 0.888 weight 1.000 ! spec=NOESY, no=187, id=184, vol=1.720000e+07
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid   20 and name HD23)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name   HN) 2.665 0.888 0.888 weight 1.000 ! spec=NOESY, no=189, id=186, vol=1.720000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   20 and name HD12) 2.668 0.890 0.890 weight 1.000 ! spec=NOESY, no=191, id=188, vol=1.710000e+07
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   20 and name HD13)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   20 and name HD12)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HA) 2.668 0.890 0.890 weight 1.000 ! spec=NOESY, no=192, id=189, vol=1.710000e+07
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   14 and name   HN) 2.670 0.891 0.891 weight 1.000 ! spec=NOESY, no=193, id=190, vol=1.700000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name   HN) 2.676 0.895 0.895 weight 1.000 ! spec=NOESY, no=194, id=191, vol=1.680000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HN) 2.681 0.899 0.899 weight 1.000 ! spec=NOESY, no=195, id=192, vol=1.660000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name   HN) 2.681 0.899 0.899 weight 1.000 ! spec=NOESY, no=196, id=193, vol=1.660000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.681 0.899 0.899 weight 1.000 ! spec=NOESY, no=197, id=194, vol=1.660000e+07
assign (segid "    " and resid    7 and name  HZ2) (segid "    " and resid    7 and name  HE1) 2.684 0.900 0.900 weight 1.000 ! spec=NOESY, no=198, id=195, vol=1.650000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB2) 2.686 0.902 0.902 weight 1.000 ! spec=NOESY, no=199, id=196, vol=1.640000e+07
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   13 and name   HN) 2.689 0.904 0.904 weight 1.000 ! spec=NOESY, no=201, id=198, vol=1.630000e+07
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HN) 2.692 0.906 0.906 weight 1.000 ! spec=NOESY, no=202, id=199, vol=1.620000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 2.695 0.908 0.908 weight 1.000 ! spec=NOESY, no=204, id=201, vol=1.610000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HA) 2.698 0.910 0.910 weight 1.000 ! spec=NOESY, no=205, id=202, vol=1.600000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   10 and name  HB1) 2.700 0.912 0.912 weight 1.000 ! spec=NOESY, no=206, id=203, vol=1.590000e+07
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HD1) 2.706 0.915 0.915 weight 1.000 ! spec=NOESY, no=207, id=204, vol=1.570000e+07
assign (segid "    " and resid    2 and name  HG1) (segid "    " and resid    2 and name  HD1) 2.706 0.915 0.915 weight 1.000 ! spec=NOESY, no=208, id=205, vol=1.570000e+07
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid   23 and name  HD2) 2.709 0.917 0.917 weight 1.000 ! spec=NOESY, no=209, id=206, vol=1.560000e+07
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   31 and name   HA) 2.715 0.921 0.921 weight 1.000 ! spec=NOESY, no=211, id=207, vol=1.540000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name   HN) 2.715 0.921 0.921 weight 1.000 ! spec=NOESY, no=212, id=208, vol=1.540000e+07
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 2.715 0.921 0.921 weight 1.000 ! spec=NOESY, no=213, id=209, vol=1.540000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HN) 2.715 0.921 0.921 weight 1.000 ! spec=NOESY, no=214, id=210, vol=1.540000e+07
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name   HZ) 2.718 0.923 0.923 weight 1.000 ! spec=NOESY, no=215, id=211, vol=1.530000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid    3 and name  HB1) 2.718 0.923 0.923 weight 1.000 ! spec=NOESY, no=216, id=212, vol=1.530000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.721 0.925 0.925 weight 1.000 ! spec=NOESY, no=217, id=213, vol=1.520000e+07
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN) 2.721 0.925 0.925 weight 1.000 ! spec=NOESY, no=218, id=214, vol=1.520000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name  HD1) 2.721 0.925 0.925 weight 1.000 ! spec=NOESY, no=219, id=215, vol=1.520000e+07
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name   HN) 2.721 0.925 0.925 weight 1.000 ! spec=NOESY, no=220, id=216, vol=1.520000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name   HN) 2.724 0.927 0.927 weight 1.000 ! spec=NOESY, no=221, id=217, vol=1.510000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name   HZ) 2.727 0.929 0.929 weight 1.000 ! spec=NOESY, no=222, id=218, vol=1.500000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.742 0.940 0.940 weight 1.000 ! spec=NOESY, no=223, id=219, vol=1.450000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   10 and name  HB2) 2.745 0.942 0.942 weight 1.000 ! spec=NOESY, no=225, id=221, vol=1.440000e+07
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   20 and name   HA) 2.752 0.947 0.947 weight 1.000 ! spec=NOESY, no=227, id=223, vol=1.420000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   23 and name  HD2) 2.755 0.949 0.949 weight 1.000 ! spec=NOESY, no=228, id=224, vol=1.410000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name   HA) 2.755 0.949 0.949 weight 1.000 ! spec=NOESY, no=229, id=225, vol=1.410000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name   HA)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HE3) 2.762 0.953 0.953 weight 1.000 ! spec=NOESY, no=230, id=226, vol=1.390000e+07
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name   HN) 2.768 0.958 0.958 weight 1.000 ! spec=NOESY, no=231, id=227, vol=1.370000e+07
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HN) 2.778 0.965 0.965 weight 1.000 ! spec=NOESY, no=233, id=229, vol=1.340000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB1) 2.782 0.967 0.967 weight 1.000 ! spec=NOESY, no=234, id=230, vol=1.330000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name   HN) 2.785 0.970 0.970 weight 1.000 ! spec=NOESY, no=235, id=231, vol=1.320000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   23 and name  HD2) 2.785 0.970 0.970 weight 1.000 ! spec=NOESY, no=236, id=232, vol=1.320000e+07
assign (segid "    " and resid   28 and name HG21) (segid "    " and resid   28 and name   HN) 2.785 0.970 0.970 weight 1.000 ! spec=NOESY, no=237, id=233, vol=1.320000e+07
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid   28 and name   HN)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid   28 and name   HN)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HE3) 2.793 0.975 0.975 weight 1.000 ! spec=NOESY, no=238, id=234, vol=1.300000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HB1) 2.796 0.977 0.977 weight 1.000 ! spec=NOESY, no=240, id=236, vol=1.290000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid    3 and name  HE1) 2.796 0.977 0.977 weight 1.000 ! spec=NOESY, no=241, id=237, vol=1.290000e+07
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name  HD1) 2.796 0.977 0.977 weight 1.000 ! spec=NOESY, no=242, id=238, vol=1.290000e+07
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name   HA) 2.803 0.982 0.982 weight 1.000 ! spec=NOESY, no=243, id=239, vol=1.270000e+07
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HD2) 2.807 0.985 0.985 weight 1.000 ! spec=NOESY, no=244, id=240, vol=1.260000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   12 and name   HN) 2.811 0.988 0.988 weight 1.000 ! spec=NOESY, no=245, id=241, vol=1.250000e+07
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    1 and name   HA) 2.811 0.988 0.988 weight 1.000 ! spec=NOESY, no=246, id=242, vol=1.250000e+07
assign (segid "    " and resid   20 and name HD22) (segid "    " and resid    4 and name   HN) 2.815 0.990 0.990 weight 1.000 ! spec=NOESY, no=249, id=245, vol=1.240000e+07
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   22 and name   HA) 2.822 0.996 0.996 weight 1.000 ! spec=NOESY, no=250, id=246, vol=1.220000e+07
    or (segid "    " and resid   25 and name  HD1) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HN) 2.826 0.998 0.998 weight 1.000 ! spec=NOESY, no=252, id=248, vol=1.210000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 2.830 1.001 1.001 weight 1.000 ! spec=NOESY, no=253, id=249, vol=1.200000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 2.830 1.001 1.001 weight 1.000 ! spec=NOESY, no=254, id=250, vol=1.200000e+07
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HD2) 2.838 1.007 1.007 weight 1.000 ! spec=NOESY, no=255, id=251, vol=1.180000e+07
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name   HN) 2.842 1.010 1.010 weight 1.000 ! spec=NOESY, no=256, id=252, vol=1.170000e+07
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name  HD1) 2.842 1.010 1.010 weight 1.000 ! spec=NOESY, no=257, id=253, vol=1.170000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name  HD1)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   20 and name   HN) 2.850 1.015 1.015 weight 1.000 ! spec=NOESY, no=258, id=254, vol=1.150000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HN) 2.850 1.015 1.015 weight 1.000 ! spec=NOESY, no=259, id=255, vol=1.150000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name   HN) 2.854 1.018 1.018 weight 1.000 ! spec=NOESY, no=261, id=257, vol=1.140000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HB1) 2.859 1.021 1.021 weight 1.000 ! spec=NOESY, no=262, id=258, vol=1.130000e+07
assign (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HE2) 2.859 1.021 1.021 weight 1.000 ! spec=NOESY, no=263, id=259, vol=1.130000e+07
    or (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HE3)
assign (segid "    " and resid    8 and name HB12) (segid "    " and resid    7 and name  HD1) 2.859 1.021 1.021 weight 1.000 ! spec=NOESY, no=264, id=260, vol=1.130000e+07
    or (segid "    " and resid    8 and name HB11) (segid "    " and resid    7 and name  HD1)
    or (segid "    " and resid    8 and name HB13) (segid "    " and resid    7 and name  HD1)
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HD1) 2.859 1.021 1.021 weight 1.000 ! spec=NOESY, no=265, id=261, vol=1.130000e+07
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   14 and name   HZ) 2.859 1.021 1.021 weight 1.000 ! spec=NOESY, no=266, id=262, vol=1.130000e+07
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   16 and name   HN) 2.863 1.024 1.024 weight 1.000 ! spec=NOESY, no=267, id=263, vol=1.120000e+07
assign (segid "    " and resid    2 and name  HG1) (segid "    " and resid    2 and name  HD2) 2.863 1.024 1.024 weight 1.000 ! spec=NOESY, no=268, id=264, vol=1.120000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   27 and name  HD2) 2.863 1.024 1.024 weight 1.000 ! spec=NOESY, no=269, id=265, vol=1.120000e+07
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   20 and name HD22) 2.871 1.031 1.031 weight 1.000 ! spec=NOESY, no=270, id=266, vol=1.100000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HB2) 2.871 1.031 1.031 weight 1.000 ! spec=NOESY, no=271, id=267, vol=1.100000e+07
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HB2)
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   27 and name  HE1) 2.876 1.034 1.034 weight 1.000 ! spec=NOESY, no=272, id=268, vol=1.090000e+07
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HN) 2.880 1.037 1.037 weight 1.000 ! spec=NOESY, no=273, id=269, vol=1.080000e+07
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   23 and name  HE1) 2.880 1.037 1.037 weight 1.000 ! spec=NOESY, no=274, id=270, vol=1.080000e+07
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   16 and name   HN) 2.889 1.043 1.043 weight 1.000 ! spec=NOESY, no=276, id=272, vol=1.060000e+07
assign (segid "    " and resid   13 and name  HD2) (segid "    " and resid   13 and name   HE) 2.894 1.047 1.047 weight 1.000 ! spec=NOESY, no=277, id=273, vol=1.050000e+07
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   13 and name   HE)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    3 and name   HN) 2.898 1.050 1.050 weight 1.000 ! spec=NOESY, no=278, id=274, vol=1.040000e+07
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid   16 and name   HN) 2.898 1.050 1.050 weight 1.000 ! spec=NOESY, no=279, id=275, vol=1.040000e+07
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG1) 2.908 1.057 1.057 weight 1.000 ! spec=NOESY, no=281, id=277, vol=1.020000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.913 1.060 1.060 weight 1.000 ! spec=NOESY, no=282, id=278, vol=1.010000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HB1) 2.913 1.060 1.060 weight 1.000 ! spec=NOESY, no=284, id=280, vol=1.010000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HN) 2.922 1.067 1.067 weight 1.000 ! spec=NOESY, no=287, id=283, vol=9.910000e+06
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name   HN) 2.924 1.069 1.069 weight 1.000 ! spec=NOESY, no=288, id=284, vol=9.860000e+06
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   14 and name  HE1) 2.933 1.075 1.075 weight 1.000 ! spec=NOESY, no=290, id=286, vol=9.680000e+06
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HD1) 2.935 1.077 1.077 weight 1.000 ! spec=NOESY, no=292, id=288, vol=9.650000e+06
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   14 and name   HN) 2.938 1.079 1.079 weight 1.000 ! spec=NOESY, no=293, id=289, vol=9.580000e+06
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HA) 2.940 1.080 1.080 weight 1.000 ! spec=NOESY, no=294, id=290, vol=9.550000e+06
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   31 and name   HN) 2.942 1.082 1.082 weight 1.000 ! spec=NOESY, no=295, id=291, vol=9.500000e+06
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 2.947 1.085 1.085 weight 1.000 ! spec=NOESY, no=296, id=292, vol=9.420000e+06
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 2.947 1.086 1.086 weight 1.000 ! spec=NOESY, no=297, id=293, vol=9.410000e+06
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   24 and name   HN) 2.951 1.088 1.088 weight 1.000 ! spec=NOESY, no=298, id=294, vol=9.340000e+06
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   13 and name  HG2) 2.956 1.092 1.092 weight 1.000 ! spec=NOESY, no=299, id=295, vol=9.240000e+06
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name   HN) 2.957 1.093 1.093 weight 1.000 ! spec=NOESY, no=300, id=296, vol=9.230000e+06
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name   HN) 2.969 1.102 1.102 weight 1.000 ! spec=NOESY, no=302, id=298, vol=9.010000e+06
assign (segid "    " and resid   11 and name  HA2) (segid "    " and resid    4 and name  HE2) 2.971 1.103 1.103 weight 1.000 ! spec=NOESY, no=303, id=299, vol=8.970000e+06
    or (segid "    " and resid   11 and name  HA2) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid   11 and name  HA2) (segid "    " and resid    4 and name  HE3)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG2) 2.973 1.105 1.105 weight 1.000 ! spec=NOESY, no=304, id=300, vol=8.920000e+06
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   16 and name   HN) 2.977 1.108 1.108 weight 1.000 ! spec=NOESY, no=306, id=302, vol=8.860000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HE1) 2.977 1.108 1.108 weight 1.000 ! spec=NOESY, no=307, id=303, vol=8.850000e+06
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG1) 2.978 1.109 1.109 weight 1.000 ! spec=NOESY, no=308, id=304, vol=8.840000e+06
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name   HN) 2.978 1.109 1.109 weight 1.000 ! spec=NOESY, no=309, id=305, vol=8.840000e+06
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   29 and name   HN) 2.979 1.109 1.109 weight 1.000 ! spec=NOESY, no=310, id=306, vol=8.830000e+06
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid    7 and name   HN) 2.982 1.112 1.112 weight 1.000 ! spec=NOESY, no=311, id=307, vol=8.760000e+06
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   21 and name   HA) 2.986 1.115 1.115 weight 1.000 ! spec=NOESY, no=312, id=308, vol=8.690000e+06
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid    3 and name  HB2) 2.987 1.115 1.115 weight 1.000 ! spec=NOESY, no=313, id=309, vol=8.680000e+06
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   21 and name   HA) 2.992 1.119 1.119 weight 1.000 ! spec=NOESY, no=315, id=311, vol=8.600000e+06
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 2.992 1.119 1.119 weight 1.000 ! spec=NOESY, no=316, id=312, vol=8.590000e+06
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name   HN) 2.992 1.119 1.119 weight 1.000 ! spec=NOESY, no=317, id=313, vol=8.590000e+06
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HD1) 2.999 1.124 1.124 weight 1.000 ! spec=NOESY, no=318, id=314, vol=8.470000e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HD1) 3.000 1.125 1.125 weight 1.000 ! spec=NOESY, no=320, id=316, vol=8.450000e+06
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   20 and name HD12) 3.005 1.128 1.128 weight 1.000 ! spec=NOESY, no=321, id=317, vol=8.380000e+06
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   23 and name   HN) 3.005 1.128 1.128 weight 1.000 ! spec=NOESY, no=322, id=318, vol=8.380000e+06
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   27 and name  HD2) 3.008 1.131 1.131 weight 1.000 ! spec=NOESY, no=323, id=319, vol=8.330000e+06
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name HD12) 3.008 1.131 1.131 weight 1.000 ! spec=NOESY, no=324, id=320, vol=8.320000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name   HN) 3.012 1.134 1.134 weight 1.000 ! spec=NOESY, no=325, id=321, vol=8.250000e+06
assign (segid "    " and resid   28 and name HG21) (segid "    " and resid    7 and name  HZ3) 3.015 1.136 1.136 weight 1.000 ! spec=NOESY, no=326, id=322, vol=8.210000e+06
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid    7 and name  HZ3)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid    7 and name  HZ3)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name   HN) 3.015 1.136 1.136 weight 1.000 ! spec=NOESY, no=327, id=323, vol=8.210000e+06
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   20 and name   HN) 3.018 1.138 1.138 weight 1.000 ! spec=NOESY, no=328, id=324, vol=8.160000e+06
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid    7 and name  HD1) 3.025 1.144 1.144 weight 1.000 ! spec=NOESY, no=329, id=325, vol=8.050000e+06
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name   HA) 3.029 1.147 1.147 weight 1.000 ! spec=NOESY, no=330, id=326, vol=7.990000e+06
    or (segid "    " and resid   25 and name  HD1) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HA) 3.029 1.147 1.147 weight 1.000 ! spec=NOESY, no=331, id=327, vol=7.980000e+06
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid    5 and name   HN) 3.030 1.147 1.147 weight 1.000 ! spec=NOESY, no=332, id=328, vol=7.970000e+06
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   11 and name   HN) 3.034 1.150 1.150 weight 1.000 ! spec=NOESY, no=333, id=329, vol=7.910000e+06
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   28 and name   HN) 3.035 1.151 1.151 weight 1.000 ! spec=NOESY, no=334, id=330, vol=7.890000e+06
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name   HN) 3.037 1.153 1.153 weight 1.000 ! spec=NOESY, no=335, id=331, vol=7.850000e+06
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   20 and name   HN) 3.049 1.162 1.162 weight 1.000 ! spec=NOESY, no=336, id=332, vol=7.680000e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   20 and name   HN) 3.055 1.167 1.167 weight 1.000 ! spec=NOESY, no=337, id=333, vol=7.580000e+06
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    5 and name   HN) 3.055 1.167 1.167 weight 1.000 ! spec=NOESY, no=338, id=334, vol=7.580000e+06
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name   HN) 3.059 1.170 1.170 weight 1.000 ! spec=NOESY, no=339, id=335, vol=7.520000e+06
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HN) 3.062 1.172 1.172 weight 1.000 ! spec=NOESY, no=340, id=336, vol=7.480000e+06
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid   27 and name  HE1) 3.067 1.176 1.176 weight 1.000 ! spec=NOESY, no=341, id=337, vol=7.410000e+06
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid    3 and name  HE1) 3.068 1.176 1.176 weight 1.000 ! spec=NOESY, no=342, id=338, vol=7.400000e+06
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   14 and name  HB2) 3.072 1.180 1.180 weight 1.000 ! spec=NOESY, no=343, id=339, vol=7.330000e+06
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid   20 and name HD22) 3.073 1.180 1.180 weight 1.000 ! spec=NOESY, no=344, id=340, vol=7.320000e+06
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid   14 and name   HZ) 3.074 1.181 1.181 weight 1.000 ! spec=NOESY, no=345, id=341, vol=7.310000e+06
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   21 and name   HN) 3.074 1.181 1.181 weight 1.000 ! spec=NOESY, no=346, id=342, vol=7.310000e+06
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name   HN) 3.074 1.182 1.182 weight 1.000 ! spec=NOESY, no=347, id=343, vol=7.300000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   14 and name  HB2) 3.074 1.182 1.182 weight 1.000 ! spec=NOESY, no=348, id=344, vol=7.300000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 3.075 1.182 1.182 weight 1.000 ! spec=NOESY, no=349, id=345, vol=7.290000e+06
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   11 and name   HN) 3.078 1.184 1.184 weight 1.000 ! spec=NOESY, no=350, id=346, vol=7.250000e+06
assign (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name   HN) 3.079 1.185 1.185 weight 1.000 ! spec=NOESY, no=351, id=347, vol=7.240000e+06
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HN) 3.079 1.185 1.185 weight 1.000 ! spec=NOESY, no=352, id=348, vol=7.240000e+06
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   18 and name   HA) 3.079 1.185 1.185 weight 1.000 ! spec=NOESY, no=353, id=349, vol=7.230000e+06
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   18 and name   HA)
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   19 and name   HN) 3.083 1.188 1.188 weight 1.000 ! spec=NOESY, no=354, id=350, vol=7.180000e+06
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 3.085 1.190 1.190 weight 1.000 ! spec=NOESY, no=355, id=351, vol=7.150000e+06
assign (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HG2) 3.090 1.194 1.194 weight 1.000 ! spec=NOESY, no=356, id=352, vol=7.080000e+06
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name   HN) 3.092 1.195 1.195 weight 1.000 ! spec=NOESY, no=357, id=353, vol=7.050000e+06
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    4 and name   HN) 3.093 1.196 1.196 weight 1.000 ! spec=NOESY, no=358, id=354, vol=7.040000e+06
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HN) 3.098 1.199 1.199 weight 1.000 ! spec=NOESY, no=359, id=355, vol=6.980000e+06
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   16 and name   HN) 3.098 1.199 1.199 weight 1.000 ! spec=NOESY, no=360, id=356, vol=6.980000e+06
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name  HD1) 3.100 1.201 1.201 weight 1.000 ! spec=NOESY, no=361, id=357, vol=6.950000e+06
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name  HD1)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name   HN) 3.101 1.202 1.202 weight 1.000 ! spec=NOESY, no=362, id=358, vol=6.930000e+06
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name   HN) 3.116 1.213 1.213 weight 1.000 ! spec=NOESY, no=363, id=359, vol=6.740000e+06
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name  HD2) 3.116 1.213 1.213 weight 1.000 ! spec=NOESY, no=364, id=360, vol=6.740000e+06
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name  HD2)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HE1) 3.127 1.223 1.223 weight 1.000 ! spec=NOESY, no=368, id=364, vol=6.590000e+06
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   24 and name   HN) 3.132 1.226 1.226 weight 1.000 ! spec=NOESY, no=369, id=365, vol=6.530000e+06
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name   HN) 3.137 1.230 1.230 weight 1.000 ! spec=NOESY, no=370, id=366, vol=6.470000e+06
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   20 and name   HN) 3.140 1.233 1.233 weight 1.000 ! spec=NOESY, no=371, id=367, vol=6.430000e+06
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   16 and name  HG2) 3.143 1.235 1.235 weight 1.000 ! spec=NOESY, no=372, id=368, vol=6.400000e+06
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name  HD2) 3.146 1.237 1.237 weight 1.000 ! spec=NOESY, no=373, id=369, vol=6.360000e+06
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HN) 3.154 1.244 1.244 weight 1.000 ! spec=NOESY, no=374, id=370, vol=6.260000e+06
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   19 and name   HN) 3.154 1.244 1.244 weight 1.000 ! spec=NOESY, no=375, id=371, vol=6.260000e+06
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   27 and name   HN) 3.156 1.245 1.245 weight 1.000 ! spec=NOESY, no=376, id=372, vol=6.240000e+06
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HD2) 3.158 1.247 1.247 weight 1.000 ! spec=NOESY, no=377, id=373, vol=6.210000e+06
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   14 and name  HE1) 3.166 1.253 1.253 weight 1.000 ! spec=NOESY, no=379, id=375, vol=6.120000e+06
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   28 and name HG21) (segid "    " and resid    7 and name  HH2) 3.170 1.256 1.256 weight 1.000 ! spec=NOESY, no=381, id=377, vol=6.080000e+06
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid    7 and name  HH2)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid    7 and name  HH2)
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   27 and name   HN) 3.179 1.263 1.263 weight 1.000 ! spec=NOESY, no=383, id=379, vol=5.970000e+06
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   27 and name  HD2) 3.192 1.274 1.274 weight 1.000 ! spec=NOESY, no=385, id=381, vol=5.830000e+06
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   27 and name  HD2)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name   HN) 3.196 1.276 1.276 weight 1.000 ! spec=NOESY, no=386, id=382, vol=5.790000e+06
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   19 and name   HN) 3.196 1.276 1.276 weight 1.000 ! spec=NOESY, no=387, id=383, vol=5.790000e+06
assign (segid "    " and resid   30 and name  HG2) (segid "    " and resid   30 and name   HN) 3.199 1.279 1.279 weight 1.000 ! spec=NOESY, no=388, id=384, vol=5.750000e+06
    or (segid "    " and resid   30 and name  HG1) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   27 and name  HD2) 3.203 1.282 1.282 weight 1.000 ! spec=NOESY, no=389, id=385, vol=5.710000e+06
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   27 and name  HD2)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   10 and name  HB2) 3.211 1.289 1.289 weight 1.000 ! spec=NOESY, no=390, id=386, vol=5.620000e+06
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   23 and name  HE1) 3.213 1.291 1.291 weight 1.000 ! spec=NOESY, no=391, id=387, vol=5.600000e+06
assign (segid "    " and resid    8 and name HB22) (segid "    " and resid    9 and name  HA1) 3.215 1.292 1.292 weight 1.000 ! spec=NOESY, no=392, id=388, vol=5.580000e+06
    or (segid "    " and resid    8 and name HB21) (segid "    " and resid    9 and name  HA1)
    or (segid "    " and resid    8 and name HB23) (segid "    " and resid    9 and name  HA1)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name  HD1) 3.215 1.292 1.292 weight 1.000 ! spec=NOESY, no=393, id=389, vol=5.580000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 3.217 1.294 1.294 weight 1.000 ! spec=NOESY, no=394, id=390, vol=5.560000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   23 and name  HD2) 3.220 1.296 1.296 weight 1.000 ! spec=NOESY, no=395, id=391, vol=5.530000e+06
assign (segid "    " and resid   28 and name HG21) (segid "    " and resid   25 and name   HA) 3.222 1.298 1.298 weight 1.000 ! spec=NOESY, no=396, id=392, vol=5.510000e+06
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid   25 and name   HA)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   24 and name   HN) 3.226 1.301 1.301 weight 1.000 ! spec=NOESY, no=398, id=393, vol=5.470000e+06
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   27 and name  HE1) 3.228 1.302 1.302 weight 1.000 ! spec=NOESY, no=399, id=394, vol=5.450000e+06
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   18 and name   HN) 3.236 1.309 1.309 weight 1.000 ! spec=NOESY, no=400, id=395, vol=5.370000e+06
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name   HN) 3.238 1.311 1.311 weight 1.000 ! spec=NOESY, no=401, id=396, vol=5.350000e+06
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HD1) 3.238 1.311 1.311 weight 1.000 ! spec=NOESY, no=402, id=397, vol=5.350000e+06
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid   17 and name   HN) 3.243 1.315 1.315 weight 1.000 ! spec=NOESY, no=403, id=398, vol=5.300000e+06
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HN) 3.243 1.315 1.315 weight 1.000 ! spec=NOESY, no=404, id=399, vol=5.300000e+06
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HE1) 3.251 1.321 1.321 weight 1.000 ! spec=NOESY, no=405, id=400, vol=5.220000e+06
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   26 and name   HN) 3.252 1.322 1.322 weight 1.000 ! spec=NOESY, no=406, id=401, vol=5.210000e+06
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name   HN) 3.266 1.333 1.333 weight 1.000 ! spec=NOESY, no=407, id=402, vol=5.080000e+06
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   23 and name  HE1) 3.266 1.333 1.333 weight 1.000 ! spec=NOESY, no=408, id=403, vol=5.080000e+06
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name HG21) 3.267 1.334 1.334 weight 1.000 ! spec=NOESY, no=409, id=404, vol=5.070000e+06
    or (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   12 and name  HE2) (segid "    " and resid   23 and name  HE1) 3.270 1.337 1.337 weight 1.000 ! spec=NOESY, no=410, id=405, vol=5.040000e+06
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HD2) 3.276 1.341 1.341 weight 1.000 ! spec=NOESY, no=412, id=407, vol=4.990000e+06
assign (segid "    " and resid   15 and name HG21) (segid "    " and resid   15 and name   HN) 3.276 1.341 1.341 weight 1.000 ! spec=NOESY, no=413, id=408, vol=4.990000e+06
    or (segid "    " and resid   15 and name HG22) (segid "    " and resid   15 and name   HN)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name   HN) 3.280 1.345 1.345 weight 1.000 ! spec=NOESY, no=414, id=409, vol=4.950000e+06
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   25 and name   HN) 3.282 1.347 1.347 weight 1.000 ! spec=NOESY, no=415, id=410, vol=4.930000e+06
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid    3 and name   HN) 3.283 1.348 1.348 weight 1.000 ! spec=NOESY, no=416, id=411, vol=4.920000e+06
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    5 and name   HN) 3.296 1.358 1.358 weight 1.000 ! spec=NOESY, no=418, id=413, vol=4.810000e+06
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name   HN) 3.306 1.366 1.366 weight 1.000 ! spec=NOESY, no=420, id=415, vol=4.720000e+06
    or (segid "    " and resid   25 and name  HD1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   21 and name   HN) 3.312 1.371 1.371 weight 1.000 ! spec=NOESY, no=421, id=416, vol=4.670000e+06
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   20 and name   HN) 3.318 1.376 1.376 weight 1.000 ! spec=NOESY, no=422, id=417, vol=4.620000e+06
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD1) 3.319 1.377 1.377 weight 1.000 ! spec=NOESY, no=423, id=418, vol=4.610000e+06
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HG1) 3.320 1.378 1.378 weight 1.000 ! spec=NOESY, no=424, id=419, vol=4.600000e+06
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   23 and name  HE1) 3.324 1.381 1.381 weight 1.000 ! spec=NOESY, no=425, id=420, vol=4.570000e+06
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   27 and name  HD2) 3.330 1.386 1.386 weight 1.000 ! spec=NOESY, no=427, id=422, vol=4.520000e+06
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   27 and name  HD2)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HA) 3.333 1.388 1.388 weight 1.000 ! spec=NOESY, no=428, id=423, vol=4.500000e+06
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid    5 and name   HN) 3.335 1.390 1.390 weight 1.000 ! spec=NOESY, no=430, id=425, vol=4.480000e+06
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   23 and name  HD2) 3.339 1.393 1.393 weight 1.000 ! spec=NOESY, no=431, id=426, vol=4.450000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   24 and name   HN) 3.340 1.395 1.395 weight 1.000 ! spec=NOESY, no=433, id=428, vol=4.440000e+06
assign (segid "    " and resid    8 and name HB22) (segid "    " and resid    7 and name   HA) 3.341 1.396 1.396 weight 1.000 ! spec=NOESY, no=434, id=429, vol=4.430000e+06
    or (segid "    " and resid    8 and name HB21) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid    8 and name HB23) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    5 and name   HN) 3.344 1.398 1.398 weight 1.000 ! spec=NOESY, no=436, id=431, vol=4.410000e+06
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid    5 and name   HN) 3.350 1.403 1.403 weight 1.000 ! spec=NOESY, no=437, id=432, vol=4.360000e+06
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid    5 and name  HB2) 3.357 1.408 1.408 weight 1.000 ! spec=NOESY, no=438, id=433, vol=4.310000e+06
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid    5 and name  HB2)
assign (segid "    " and resid    8 and name HB12) (segid "    " and resid    7 and name  HE1) 3.363 1.414 1.414 weight 1.000 ! spec=NOESY, no=439, id=434, vol=4.260000e+06
    or (segid "    " and resid    8 and name HB11) (segid "    " and resid    7 and name  HE1)
    or (segid "    " and resid    8 and name HB13) (segid "    " and resid    7 and name  HE1)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    8 and name   HN) 3.363 1.414 1.414 weight 1.000 ! spec=NOESY, no=440, id=435, vol=4.260000e+06
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   24 and name   HA) 3.366 1.416 1.416 weight 1.000 ! spec=NOESY, no=441, id=436, vol=4.240000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HE1) 3.383 1.431 1.431 weight 1.000 ! spec=NOESY, no=442, id=437, vol=4.110000e+06
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   27 and name   HN) 3.385 1.432 1.432 weight 1.000 ! spec=NOESY, no=443, id=438, vol=4.100000e+06
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    7 and name   HN) 3.393 1.439 1.439 weight 1.000 ! spec=NOESY, no=445, id=440, vol=4.040000e+06
assign (segid "    " and resid    7 and name  HE3) (segid "    " and resid    7 and name   HN) 3.400 1.445 1.445 weight 1.000 ! spec=NOESY, no=446, id=441, vol=3.990000e+06
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   17 and name   HN) 3.416 1.459 1.459 weight 1.000 ! spec=NOESY, no=447, id=442, vol=3.880000e+06
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   12 and name   HN) 3.420 1.462 1.462 weight 1.000 ! spec=NOESY, no=448, id=443, vol=3.850000e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   21 and name   HN) 3.423 1.465 1.465 weight 1.000 ! spec=NOESY, no=449, id=444, vol=3.830000e+06
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   27 and name  HE1) 3.442 1.481 1.481 weight 1.000 ! spec=NOESY, no=451, id=446, vol=3.710000e+06
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HN) 3.453 1.490 1.490 weight 1.000 ! spec=NOESY, no=452, id=447, vol=3.640000e+06
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HN) 3.457 1.494 1.494 weight 1.000 ! spec=NOESY, no=453, id=448, vol=3.610000e+06
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name  HE1) 3.465 1.501 1.501 weight 1.000 ! spec=NOESY, no=454, id=449, vol=3.560000e+06
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid    7 and name  HE3) 3.475 1.510 1.510 weight 1.000 ! spec=NOESY, no=455, id=450, vol=3.500000e+06
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid    7 and name   HN) 3.479 1.513 1.513 weight 1.000 ! spec=NOESY, no=456, id=451, vol=3.480000e+06
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   18 and name   HN) 3.479 1.513 1.513 weight 1.000 ! spec=NOESY, no=457, id=452, vol=3.480000e+06
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name   HN) 3.480 1.514 1.514 weight 1.000 ! spec=NOESY, no=458, id=453, vol=3.470000e+06
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid    7 and name  HE1) 3.484 1.517 1.517 weight 1.000 ! spec=NOESY, no=460, id=455, vol=3.450000e+06
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    8 and name   HN) 3.485 1.518 1.518 weight 1.000 ! spec=NOESY, no=461, id=456, vol=3.440000e+06
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   23 and name  HE1) 3.499 1.530 1.530 weight 1.000 ! spec=NOESY, no=463, id=458, vol=3.360000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HN) 3.541 1.567 1.567 weight 1.000 ! spec=NOESY, no=465, id=460, vol=3.130000e+06
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   27 and name  HE1) 3.544 1.570 1.570 weight 1.000 ! spec=NOESY, no=466, id=461, vol=3.110000e+06
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid    5 and name   HN) 3.546 1.572 1.572 weight 1.000 ! spec=NOESY, no=467, id=462, vol=3.100000e+06
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   27 and name  HE1) 3.548 1.574 1.574 weight 1.000 ! spec=NOESY, no=469, id=464, vol=3.090000e+06
assign (segid "    " and resid    7 and name  HE3) (segid "    " and resid   27 and name  HD2) 3.550 1.575 1.575 weight 1.000 ! spec=NOESY, no=470, id=465, vol=3.080000e+06
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HD1) 3.576 1.598 1.598 weight 1.000 ! spec=NOESY, no=471, id=466, vol=2.950000e+06
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid    8 and name   HN) 3.605 1.624 1.624 weight 1.000 ! spec=NOESY, no=473, id=468, vol=2.810000e+06
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid    5 and name   HN) 3.611 1.630 1.630 weight 1.000 ! spec=NOESY, no=474, id=469, vol=2.780000e+06
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    7 and name  HE3) (segid "    " and resid    8 and name   HN) 3.642 1.658 1.658 weight 1.000 ! spec=NOESY, no=476, id=471, vol=2.640000e+06
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid    5 and name   HN) 3.659 1.673 1.673 weight 1.000 ! spec=NOESY, no=477, id=472, vol=2.570000e+06
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    7 and name   HN) 3.799 1.804 1.804 weight 1.000 ! spec=NOESY, no=478, id=473, vol=2.050000e+06
assign (segid "    " and resid    7 and name  HE1) (segid "    " and resid    7 and name  HZ3) 3.865 1.867 1.867 weight 1.000 ! spec=NOESY, no=479, id=474, vol=1.850000e+06
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   21 and name   HN) 3.927 1.928 1.928 weight 1.000 ! spec=NOESY, no=480, id=475, vol=1.680000e+06
# Restraints file 3: wsh2031_hbonds_v2.tbl
!hairpin
assign  (resid 3 and name HN )  (resid 14 and name O )  1.9 0.1 0.1
assign  (resid 3 and name N )  (resid 14 and name O )   2.9 0.2 0.2
assign  (resid 14 and name HN )  (resid 3 and name O )  1.9 0.1 0.1
assign  (resid 14 and name N )  (resid 3 and name O )   2.9 0.2 0.2
assign  (resid 5 and name HN )  (resid 12 and name O )  1.9 0.1 0.1
assign  (resid 5 and name N )  (resid 12 and name O )   2.9 0.2 0.2
assign  (resid 11 and name HN )  (resid 5 and name O )  1.9 0.1 0.1
assign  (resid 11 and name N )  (resid 5 and name O )   2.9 0.2 0.2
assign  (resid 5 and name HN )  (resid 12 and name O )  1.9 0.1 0.1
assign  (resid 5 and name N )  (resid 12 and name O )   2.9 0.2 0.2


!helix
assign  (resid 20 and name HN )  (resid 16 and name O )  1.9 0.1 0.1
assign  (resid 20 and name N )  (resid 16 and name O )   2.9 0.2 0.2
assign  (resid 21 and name HN )  (resid 17 and name O )  1.9 0.1 0.1
assign  (resid 21 and name N )  (resid 17 and name O )   2.9 0.2 0.2
assign  (resid 22 and name HN )  (resid 18 and name O )  1.9 0.1 0.1
assign  (resid 22 and name N )  (resid 18 and name O )   2.9 0.2 0.2
assign  (resid 23 and name HN )  (resid 19 and name O )  1.9 0.1 0.1
assign  (resid 23 and name N )  (resid 19 and name O )   2.9 0.2 0.2
assign  (resid 24 and name HN )  (resid 20 and name O )  1.9 0.1 0.1
assign  (resid 24 and name N )  (resid 20 and name O )   2.9 0.2 0.2
assign  (resid 25 and name HN )  (resid 21 and name O )  1.9 0.1 0.1
assign  (resid 25 and name N )  (resid 21 and name O )   2.9 0.2 0.2
assign  (resid 25 and name HN )  (resid 22 and name O )  1.9 0.1 0.1
assign  (resid 25 and name N )  (resid 22 and name O )   2.9 0.2 0.2
assign  (resid 26 and name HN )  (resid 23 and name O )  1.9 0.1 0.1
assign  (resid 26 and name N )  (resid 23 and name O )   2.9 0.2 0.2
assign  (resid 27 and name HN )  (resid 24 and name O )  1.9 0.1 0.1
assign  (resid 27 and name N )  (resid 24 and name O )   2.9 0.2 0.2
assign  (resid 28 and name HN )  (resid 24 and name O )  1.9 0.1 0.1
assign  (resid 28 and name N )  (resid 24 and name O )   2.9 0.2 0.2
# Restraints file 4: wsh2031_dihedrals.tbl
!Phi angle constraints

!F3
 assign (resid  2  and name C ) (resid  3  and name N ) 
        (resid  3  and name CA) (resid  3  and name C )   1.0  -120.0 40.0 2
!C5
 assign (resid  4  and name C ) (resid  5  and name N ) 
        (resid  5  and name CA) (resid  5  and name C )   1.0  -65.0 25.0 2
!W7
 assign (resid  6  and name C ) (resid  7  and name N ) 
        (resid  7  and name CA) (resid  7  and name C )   1.0  -65.0 25.0 2
!K12
 assign (resid 11  and name C ) (resid 12  and name N ) 
        (resid 12  and name CA) (resid 12  and name C )   1.0  -65.0 25.0 2
!R13
 assign (resid 12  and name C ) (resid 13  and name N ) 
        (resid 13  and name CA) (resid 13  and name C )   1.0  -120.0 40.0 2
!F14
 assign (resid 13  and name C ) (resid 14  and name N ) 
        (resid 14  and name CA) (resid 14  and name C )   1.0  -120.0 40.0 2
!T15
 assign (resid 14  and name C ) (resid 15  and name N ) 
        (resid 15  and name CA) (resid 15  and name C )   1.0  -120.0 40.0 2
!R16
 assign (resid 15  and name C ) (resid 16  and name N ) 
        (resid 16  and name CA) (resid 16  and name C )   1.0  -120.0 40.0 2
!E19
 assign (resid  18  and name C ) (resid  19  and name N ) 
        (resid  19  and name CA) (resid  19  and name C )   1.0  -65.0 25.0 2
!L20
 assign (resid  19  and name C ) (resid  20  and name N ) 
        (resid  20  and name CA) (resid  20  and name C )   1.0  -65.0 25.0 2
!L21
 assign (resid  20  and name C ) (resid  21  and name N ) 
        (resid  21  and name CA) (resid  21  and name C )   1.0  -65.0 25.0 2
!H23
 assign (resid  22  and name C ) (resid  23  and name N ) 
        (resid  23  and name CA) (resid  23  and name C )   1.0  -65.0 25.0 2
!R25
 assign (resid  24  and name C ) (resid  25  and name N ) 
        (resid  25  and name CA) (resid  25  and name C )   1.0  -65.0 25.0 2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1 -15.235   0.059  -3.329
    2    H2   ARG   1           HT2      ARG   1 -15.523   0.771  -4.833
    3    H3   ARG   1           HT3      ARG   1 -14.783   1.662  -3.604
    4    HA   ARG   1           HA       ARG   1 -13.639  -0.721  -4.922
    5    HB2  ARG   1           HB2      ARG   1 -13.653   1.213  -6.417
    6    HB3  ARG   1           HB1      ARG   1 -12.931   2.211  -5.163
    7    HG2  ARG   1           HG2      ARG   1 -10.933   0.733  -5.223
    8    HG3  ARG   1           HG1      ARG   1 -11.657  -0.114  -6.591
    9    HD2  ARG   1           HD2      ARG   1 -11.681   1.959  -7.873
   10    HD3  ARG   1           HD1      ARG   1 -10.994   2.828  -6.501
   11    HE   ARG   1           HE       ARG   1  -9.437   0.584  -7.469
   12   HH11  ARG   1          HH11      ARG   1  -8.412   4.400  -8.225
   13   HH12  ARG   1          HH12      ARG   1  -9.986   4.041  -7.593
   14   HH21  ARG   1          HH21      ARG   1  -6.914   2.692  -8.625
   15   HH22  ARG   1          HH22      ARG   1  -7.361   1.048  -8.290
   16    HA   PRO   2           HA       PRO   2 -11.330  -0.425  -1.038
   17    HB2  PRO   2           HB2      PRO   2 -10.813  -3.032  -0.771
   18    HB3  PRO   2           HB1      PRO   2 -12.410  -2.376  -0.396
   19    HG2  PRO   2           HG2      PRO   2 -11.491  -3.857  -2.821
   20    HG3  PRO   2           HG1      PRO   2 -13.028  -3.983  -1.947
   21    HD2  PRO   2           HD2      PRO   2 -12.637  -2.521  -4.271
   22    HD3  PRO   2           HD1      PRO   2 -13.952  -2.256  -3.112
   23    H    PHE   3           HN       PHE   3  -9.122  -0.408  -0.709
   24    HA   PHE   3           HA       PHE   3  -7.506  -0.992  -3.088
   25    HB2  PHE   3           HB2      PHE   3  -6.936   0.808  -0.724
   26    HB3  PHE   3           HB1      PHE   3  -5.849   0.551  -2.081
   27    HD1  PHE   3           HD1      PHE   3  -6.527   1.288  -4.352
   28    HD2  PHE   3           HD2      PHE   3  -8.745   2.321  -0.872
   29    HE1  PHE   3           HE1      PHE   3  -7.650   3.080  -5.605
   30    HE2  PHE   3           HE2      PHE   3  -9.872   4.112  -2.118
   31    HZ   PHE   3           HZ       PHE   3  -9.329   4.495  -4.489
   32    H    NLE   4           HN       NLE   4  -6.017  -2.564  -3.034
   33    HA   NLE   4           HA       NLE   4  -5.234  -3.616  -0.409
   34    HB2  NLE   4           HB1      NLE   4  -6.016  -5.269  -2.815
   35    HB3  NLE   4           HB2      NLE   4  -6.950  -5.099  -1.335
   36    HG2  NLE   4           HG1      NLE   4  -5.214  -6.212  -0.071
   37    HG3  NLE   4           HG2      NLE   4  -4.196  -6.305  -1.509
   38    HD2  NLE   4           HD1      NLE   4  -5.884  -7.724  -2.600
   39    HD3  NLE   4           HD2      NLE   4  -6.869  -7.656  -1.130
   40    HE1  NLE   4           HE1      NLE   4  -5.547  -9.710  -1.216
   41    HE2  NLE   4           HE2      NLE   4  -5.052  -8.690   0.134
   42    HE3  NLE   4           HE3      NLE   4  -4.068  -8.757  -1.329
   43    H    CYS   5           HN       CYS   5  -3.148  -3.909  -0.167
   44    HA   CYS   5           HA       CYS   5  -1.345  -3.353  -2.333
   45    HB2  CYS   5           HB2      CYS   5  -0.807  -2.529  -0.122
   46    HB3  CYS   5           HB1      CYS   5  -0.873  -4.160   0.534
   47    H    THR   6           HN       THR   6  -1.174  -4.897  -3.826
   48    HA   THR   6           HA       THR   6  -1.144  -7.697  -3.048
   49    HB   THR   6           HB       THR   6  -1.008  -8.046  -5.568
   50    HG1  THR   6           HG1      THR   6  -1.047  -6.332  -6.852
   51   HG21  THR   6          HG21      THR   6  -3.111  -8.248  -4.348
   52   HG22  THR   6          HG22      THR   6  -3.380  -7.489  -5.917
   53   HG23  THR   6          HG23      THR   6  -3.356  -6.504  -4.452
   54    H    TRP   7           HN       TRP   7   1.089  -6.138  -2.190
   55    HA   TRP   7           HA       TRP   7   3.348  -6.752  -3.828
   56    HB2  TRP   7           HB2      TRP   7   3.270  -4.917  -2.097
   57    HB3  TRP   7           HB1      TRP   7   3.300  -6.165  -0.865
   58    HD1  TRP   7           HD1      TRP   7   5.619  -7.385  -0.404
   59    HE1  TRP   7           HE1      TRP   7   8.040  -6.822  -1.075
   60    HE3  TRP   7           HE3      TRP   7   4.656  -3.912  -4.015
   61    HZ2  TRP   7           HZ2      TRP   7   9.361  -5.120  -2.900
   62    HZ3  TRP   7           HZ3      TRP   7   6.555  -2.860  -5.176
   63    HH2  TRP   7           HH2      TRP   7   8.851  -3.450  -4.629
   64    H    AIB   8           HN       AIB   8   5.024  -8.258  -3.215
   65   HB11  AIB   8          HB11      AIB   8   6.581 -10.085  -3.580
   66   HB12  AIB   8          HB12      AIB   8   6.657 -11.303  -2.308
   67   HB13  AIB   8          HB13      AIB   8   6.843  -9.596  -1.907
   68   HB21  AIB   8          HB21      AIB   8   3.116 -11.069  -3.240
   69   HB22  AIB   8          HB22      AIB   8   4.435 -12.197  -2.942
   70   HB23  AIB   8          HB23      AIB   8   4.540 -11.051  -4.277
   71    H    GLY   9           HN       GLY   9   2.774 -11.335  -1.399
   72    HA2  GLY   9           HA2      GLY   9   2.126 -12.216   0.606
   73    HA3  GLY   9           HA1      GLY   9   3.811 -12.182   1.090
   74    H    CYS  10           HN       CYS  10   1.637  -9.486   0.244
   75    HA   CYS  10           HA       CYS  10   2.066  -8.486   2.975
   76    HB2  CYS  10           HB2      CYS  10   2.990  -7.095   1.116
   77    HB3  CYS  10           HB1      CYS  10   1.344  -6.863   0.547
   78    H    GLY  11           HN       GLY  11  -0.349  -7.706   0.457
   79    HA2  GLY  11           HA2      GLY  11  -2.627  -7.888   0.457
   80    HA3  GLY  11           HA1      GLY  11  -2.449  -9.147   1.664
   81    H    LYS  12           HN       LYS  12  -1.402  -5.809   2.071
   82    HA   LYS  12           HA       LYS  12  -3.253  -5.531   4.298
   83    HB2  LYS  12           HB2      LYS  12  -0.830  -4.828   4.453
   84    HB3  LYS  12           HB1      LYS  12  -1.207  -3.527   3.332
   85    HG2  LYS  12           HG2      LYS  12  -2.684  -2.510   4.877
   86    HG3  LYS  12           HG1      LYS  12  -2.623  -3.908   5.952
   87    HD2  LYS  12           HD2      LYS  12  -0.272  -3.483   6.398
   88    HD3  LYS  12           HD1      LYS  12  -0.290  -2.119   5.283
   89    HE2  LYS  12           HE2      LYS  12  -0.458  -1.300   7.539
   90    HE3  LYS  12           HE1      LYS  12  -1.983  -1.024   6.703
   91    HZ1  LYS  12           HZ1      LYS  12  -2.379  -1.854   8.916
   92    HZ2  LYS  12           HZ2      LYS  12  -1.419  -3.215   8.626
   93    HZ3  LYS  12           HZ3      LYS  12  -2.872  -3.012   7.786
   94    H    ARG  13           HN       ARG  13  -4.991  -4.154   4.320
   95    HA   ARG  13           HA       ARG  13  -5.740  -3.125   1.666
   96    HB2  ARG  13           HB2      ARG  13  -7.494  -4.128   3.911
   97    HB3  ARG  13           HB1      ARG  13  -8.087  -3.454   2.399
   98    HG2  ARG  13           HG2      ARG  13  -7.089  -5.260   1.154
   99    HG3  ARG  13           HG1      ARG  13  -6.360  -5.907   2.625
  100    HD2  ARG  13           HD2      ARG  13  -9.314  -5.637   2.093
  101    HD3  ARG  13           HD1      ARG  13  -8.386  -7.130   2.003
  102    HE   ARG  13           HE       ARG  13  -8.441  -5.651   4.531
  103   HH11  ARG  13          HH11      ARG  13  -9.865  -9.380   4.057
  104   HH12  ARG  13          HH12      ARG  13  -9.327  -8.485   2.674
  105   HH21  ARG  13          HH21      ARG  13  -9.131  -6.832   6.353
  106   HH22  ARG  13          HH22      ARG  13  -9.736  -8.448   6.153
  107    H    PHE  14           HN       PHE  14  -6.750  -1.186   1.439
  108    HA   PHE  14           HA       PHE  14  -6.967   0.581   3.770
  109    HB2  PHE  14           HB2      PHE  14  -5.649   1.369   1.160
  110    HB3  PHE  14           HB1      PHE  14  -5.827   2.373   2.593
  111    HD1  PHE  14           HD1      PHE  14  -4.441   2.041   4.527
  112    HD2  PHE  14           HD2      PHE  14  -3.995  -0.377   1.056
  113    HE1  PHE  14           HE1      PHE  14  -2.267   1.258   5.357
  114    HE2  PHE  14           HE2      PHE  14  -1.816  -1.169   1.881
  115    HZ   PHE  14           HZ       PHE  14  -0.955  -0.349   4.034
  116    H    THR  15           HN       THR  15  -8.422   2.355   3.424
  117    HA   THR  15           HA       THR  15 -10.378   1.855   1.301
  118    HB   THR  15           HB       THR  15 -10.630   3.781   3.619
  119    HG1  THR  15           HG1      THR  15 -11.101   0.988   3.447
  120   HG21  THR  15          HG21      THR  15 -12.228   4.085   1.769
  121   HG22  THR  15          HG22      THR  15 -13.028   3.527   3.237
  122   HG23  THR  15          HG23      THR  15 -12.713   2.395   1.921
  123    H    ARG  16           HN       ARG  16  -7.755   3.808   2.025
  124    HA   ARG  16           HA       ARG  16  -8.603   5.857   0.098
  125    HB2  ARG  16           HB2      ARG  16  -6.725   6.016   2.448
  126    HB3  ARG  16           HB1      ARG  16  -6.784   7.253   1.201
  127    HG2  ARG  16           HG2      ARG  16  -9.130   6.413   2.878
  128    HG3  ARG  16           HG1      ARG  16  -8.096   7.801   3.219
  129    HD2  ARG  16           HD2      ARG  16  -9.837   7.375   0.794
  130    HD3  ARG  16           HD1      ARG  16 -10.069   8.563   2.075
  131    HE   ARG  16           HE       ARG  16  -7.528   8.901   0.843
  132   HH11  ARG  16          HH11      ARG  16 -10.945   9.482   0.314
  133   HH12  ARG  16          HH12      ARG  16 -10.680  10.806  -0.773
  134   HH21  ARG  16          HH21      ARG  16  -7.178  10.632  -0.570
  135   HH22  ARG  16          HH22      ARG  16  -8.528  11.471  -1.270
  136    H    SER  17           HN       SER  17  -7.432   6.163  -1.687
  137    HA   SER  17           HA       SER  17  -5.522   4.237  -2.499
  138    HB2  SER  17           HB2      SER  17  -5.253   5.803  -4.477
  139    HB3  SER  17           HB1      SER  17  -6.898   5.249  -4.172
  140    HG   SER  17           HG       SER  17  -7.478   7.231  -3.813
  141    H    ASP  18           HN       ASP  18  -5.300   7.522  -1.289
  142    HA   ASP  18           HA       ASP  18  -2.535   7.894  -1.713
  143    HB2  ASP  18           HB2      ASP  18  -2.733   9.660   0.035
  144    HB3  ASP  18           HB1      ASP  18  -3.948   9.795  -1.230
  145    H    GLU  19           HN       GLU  19  -4.380   6.445   0.886
  146    HA   GLU  19           HA       GLU  19  -2.269   5.976   2.680
  147    HB2  GLU  19           HB2      GLU  19  -4.932   4.692   2.231
  148    HB3  GLU  19           HB1      GLU  19  -3.783   3.938   3.322
  149    HG2  GLU  19           HG2      GLU  19  -4.933   6.702   3.546
  150    HG3  GLU  19           HG1      GLU  19  -5.312   5.307   4.555
  151    H    LEU  20           HN       LEU  20  -3.627   3.970   0.088
  152    HA   LEU  20           HA       LEU  20  -1.921   1.776   0.419
  153    HB2  LEU  20           HB2      LEU  20  -3.881   1.580  -0.942
  154    HB3  LEU  20           HB1      LEU  20  -3.326   2.842  -2.024
  155    HG   LEU  20           HG       LEU  20  -1.455   1.367  -2.734
  156   HD11  LEU  20          HD11      LEU  20  -1.280  -0.019  -0.754
  157   HD12  LEU  20          HD12      LEU  20  -1.563  -1.016  -2.181
  158   HD13  LEU  20          HD13      LEU  20  -2.882  -0.692  -1.058
  159   HD21  LEU  20          HD21      LEU  20  -3.598   1.498  -3.980
  160   HD22  LEU  20          HD22      LEU  20  -4.163   0.089  -3.080
  161   HD23  LEU  20          HD23      LEU  20  -2.773  -0.052  -4.155
  162    H    GLN  21           HN       GLN  21  -1.566   4.636  -1.678
  163    HA   GLN  21           HA       GLN  21   0.871   3.809  -2.838
  164    HB2  GLN  21           HB2      GLN  21  -0.161   6.621  -2.441
  165    HB3  GLN  21           HB1      GLN  21   1.160   6.162  -3.507
  166    HG2  GLN  21           HG2      GLN  21  -1.751   5.492  -3.773
  167    HG3  GLN  21           HG1      GLN  21  -0.752   6.457  -4.853
  168   HE21  GLN  21          HE21      GLN  21  -2.386   4.143  -5.442
  169   HE22  GLN  21          HE22      GLN  21  -1.327   2.948  -6.106
  170    H    ARG  22           HN       ARG  22   0.188   5.959  -0.112
  171    HA   ARG  22           HA       ARG  22   2.745   6.590   0.719
  172    HB2  ARG  22           HB2      ARG  22   0.787   7.573   1.736
  173    HB3  ARG  22           HB1      ARG  22   0.255   6.009   2.324
  174    HG2  ARG  22           HG2      ARG  22   2.231   5.934   3.806
  175    HG3  ARG  22           HG1      ARG  22   2.660   7.558   3.258
  176    HD2  ARG  22           HD2      ARG  22   0.624   8.463   4.137
  177    HD3  ARG  22           HD1      ARG  22   0.012   6.854   4.514
  178    HE   ARG  22           HE       ARG  22   2.476   7.693   5.832
  179   HH11  ARG  22          HH11      ARG  22  -1.038   7.225   7.743
  180   HH12  ARG  22          HH12      ARG  22  -0.997   7.229   6.009
  181   HH21  ARG  22          HH21      ARG  22   0.906   7.493   8.945
  182   HH22  ARG  22          HH22      ARG  22   2.420   7.701   8.124
  183    H    HIS  23           HN       HIS  23   0.757   3.818   1.644
  184    HA   HIS  23           HA       HIS  23   2.599   2.517   3.280
  185    HB2  HIS  23           HB2      HIS  23   0.354   1.783   3.380
  186    HB3  HIS  23           HB1      HIS  23   0.256   1.577   1.637
  187    HD1  HIS  23           HD1      HIS  23   1.307  -0.234   4.765
  188    HD2  HIS  23           HD2      HIS  23   1.354  -0.748   0.629
  189    HE1  HIS  23           HE1      HIS  23   1.944  -2.671   4.333
  190    H    LYS  24           HN       LYS  24   2.014   2.179  -0.209
  191    HA   LYS  24           HA       LYS  24   3.757   0.077  -0.731
  192    HB2  LYS  24           HB2      LYS  24   2.842   2.380  -2.425
  193    HB3  LYS  24           HB1      LYS  24   3.940   1.162  -3.052
  194    HG2  LYS  24           HG2      LYS  24   1.196   0.605  -1.949
  195    HG3  LYS  24           HG1      LYS  24   1.598   0.746  -3.661
  196    HD2  LYS  24           HD2      LYS  24   3.281  -1.111  -3.271
  197    HD3  LYS  24           HD1      LYS  24   2.514  -1.345  -1.700
  198    HE2  LYS  24           HE2      LYS  24   1.588  -2.896  -3.301
  199    HE3  LYS  24           HE1      LYS  24   0.364  -1.720  -2.829
  200    HZ1  LYS  24           HZ1      LYS  24   1.987  -1.545  -5.305
  201    HZ2  LYS  24           HZ2      LYS  24   0.697  -0.545  -4.871
  202    HZ3  LYS  24           HZ3      LYS  24   0.420  -2.174  -5.232
  203    H    ARG  25           HN       ARG  25   4.443   3.425  -0.128
  204    HA   ARG  25           HA       ARG  25   6.992   3.531  -1.324
  205    HB2  ARG  25           HB2      ARG  25   5.955   5.116   1.026
  206    HB3  ARG  25           HB1      ARG  25   7.352   5.528   0.044
  207    HG2  ARG  25           HG2      ARG  25   5.771   5.593  -1.933
  208    HG3  ARG  25           HG1      ARG  25   4.460   5.526  -0.754
  209    HD2  ARG  25           HD2      ARG  25   4.792   7.814  -1.240
  210    HD3  ARG  25           HD1      ARG  25   5.518   7.538   0.344
  211    HE   ARG  25           HE       ARG  25   7.343   7.298  -1.881
  212   HH11  ARG  25          HH11      ARG  25   7.229  10.613   0.397
  213   HH12  ARG  25          HH12      ARG  25   5.946   9.451   0.508
  214   HH21  ARG  25          HH21      ARG  25   9.023   8.836  -2.042
  215   HH22  ARG  25          HH22      ARG  25   8.981  10.263  -1.052
  216    H    THR  26           HN       THR  26   5.925   1.983   1.548
  217    HA   THR  26           HA       THR  26   8.506   1.992   2.827
  218    HB   THR  26           HB       THR  26   7.550   0.415   4.433
  219    HG1  THR  26           HG1      THR  26   5.126   0.545   2.943
  220   HG21  THR  26          HG21      THR  26   7.111   2.816   4.726
  221   HG22  THR  26          HG22      THR  26   5.784   1.829   5.339
  222   HG23  THR  26          HG23      THR  26   5.627   2.652   3.787
  223    H    HIS  27           HN       HIS  27   6.893   0.073   0.450
  224    HA   HIS  27           HA       HIS  27   8.637  -2.215   0.763
  225    HB2  HIS  27           HB2      HIS  27   6.646  -1.478  -1.387
  226    HB3  HIS  27           HB1      HIS  27   7.615  -2.945  -1.425
  227    HD1  HIS  27           HD1      HIS  27   7.201  -4.470   0.971
  228    HD2  HIS  27           HD2      HIS  27   4.243  -1.888  -0.416
  229    HE1  HIS  27           HE1      HIS  27   4.998  -5.288   1.962
  230    H    THR  28           HN       THR  28   8.243   0.495  -1.474
  231    HA   THR  28           HA       THR  28  10.351  -0.277  -3.197
  232    HB   THR  28           HB       THR  28  10.223   2.220  -3.863
  233    HG1  THR  28           HG1      THR  28   7.899   2.855  -3.148
  234   HG21  THR  28          HG21      THR  28   7.805   0.426  -4.107
  235   HG22  THR  28          HG22      THR  28   9.219   0.411  -5.163
  236   HG23  THR  28          HG23      THR  28   8.158   1.819  -5.129
  237    H    GLY  29           HN       GLY  29  10.203   1.661  -0.289
  238    HA2  GLY  29           HA2      GLY  29  12.128   1.667   1.154
  239    HA3  GLY  29           HA1      GLY  29  13.144   1.639  -0.278
  240    H    GLU  30           HN       GLU  30  10.367   3.729  -0.048
  241    HA   GLU  30           HA       GLU  30  12.142   6.013  -0.345
  242    HB2  GLU  30           HB2      GLU  30   9.134   5.811  -0.449
  243    HB3  GLU  30           HB1      GLU  30  10.039   7.289  -0.708
  244    HG2  GLU  30           HG2      GLU  30  11.171   6.150  -2.628
  245    HG3  GLU  30           HG1      GLU  30  10.023   4.825  -2.424
  246    H    LYS  31           HN       LYS  31  12.907   5.625   1.941
  247    HA   LYS  31           HA       LYS  31  11.193   7.226   3.706
  248    HB2  LYS  31           HB2      LYS  31  12.118   6.012   5.648
  249    HB3  LYS  31           HB1      LYS  31  11.195   4.976   4.577
  250    HG2  LYS  31           HG2      LYS  31  13.200   3.999   3.695
  251    HG3  LYS  31           HG1      LYS  31  14.200   5.148   4.590
  252    HD2  LYS  31           HD2      LYS  31  13.234   4.235   6.702
  253    HD3  LYS  31           HD1      LYS  31  12.416   3.005   5.740
  254    HE2  LYS  31           HE2      LYS  31  15.397   3.424   5.776
  255    HE3  LYS  31           HE1      LYS  31  14.554   2.259   6.790
  256    HZ1  LYS  31           HZ1      LYS  31  15.473   1.267   4.773
  257    HZ2  LYS  31           HZ2      LYS  31  14.500   2.271   3.826
  258    HZ3  LYS  31           HZ3      LYS  31  13.790   1.117   4.836
  259    HN1  NH2  32           HN1      NH2  32  12.516   8.797   2.396
  260    HN2  NH2  32           HN2      NH2  32  13.995   9.335   3.117
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1 -13.411   1.949  -5.178
    2    H2   ARG   1           HT2      ARG   1 -14.616   1.097  -4.359
    3    H3   ARG   1           HT3      ARG   1 -14.568   1.072  -6.047
    4    HA   ARG   1           HA       ARG   1 -13.735  -0.991  -5.183
    5    HB2  ARG   1           HB2      ARG   1 -11.594   0.819  -6.317
    6    HB3  ARG   1           HB1      ARG   1 -11.433  -0.923  -6.178
    7    HG2  ARG   1           HG2      ARG   1 -13.305  -1.230  -7.708
    8    HG3  ARG   1           HG1      ARG   1 -13.488   0.522  -7.840
    9    HD2  ARG   1           HD2      ARG   1 -11.196   0.668  -8.716
   10    HD3  ARG   1           HD1      ARG   1 -11.059  -1.085  -8.625
   11    HE   ARG   1           HE       ARG   1 -13.181  -0.851 -10.192
   12   HH11  ARG   1          HH11      ARG   1 -10.179   1.153 -11.956
   13   HH12  ARG   1          HH12      ARG   1 -10.164   0.911 -10.240
   14   HH21  ARG   1          HH21      ARG   1 -11.916   0.345 -13.220
   15   HH22  ARG   1          HH22      ARG   1 -13.217  -0.517 -12.465
   16    HA   PRO   2           HA       PRO   2 -11.527  -0.626  -1.274
   17    HB2  PRO   2           HB2      PRO   2 -11.038  -3.270  -0.921
   18    HB3  PRO   2           HB1      PRO   2 -12.614  -2.545  -0.590
   19    HG2  PRO   2           HG2      PRO   2 -11.701  -4.082  -2.987
   20    HG3  PRO   2           HG1      PRO   2 -13.244  -4.175  -2.118
   21    HD2  PRO   2           HD2      PRO   2 -12.942  -2.802  -4.444
   22    HD3  PRO   2           HD1      PRO   2 -14.102  -2.326  -3.191
   23    H    PHE   3           HN       PHE   3  -9.357  -0.464  -0.814
   24    HA   PHE   3           HA       PHE   3  -7.580  -1.056  -3.059
   25    HB2  PHE   3           HB2      PHE   3  -7.181   0.751  -0.666
   26    HB3  PHE   3           HB1      PHE   3  -6.019   0.523  -1.970
   27    HD1  PHE   3           HD1      PHE   3  -6.667   1.172  -4.297
   28    HD2  PHE   3           HD2      PHE   3  -8.957   2.267  -0.885
   29    HE1  PHE   3           HE1      PHE   3  -7.784   2.920  -5.617
   30    HE2  PHE   3           HE2      PHE   3 -10.079   4.019  -2.195
   31    HZ   PHE   3           HZ       PHE   3  -9.496   4.347  -4.567
   32    H    NLE   4           HN       NLE   4  -6.054  -2.558  -2.961
   33    HA   NLE   4           HA       NLE   4  -5.305  -3.637  -0.346
   34    HB2  NLE   4           HB1      NLE   4  -6.245  -5.292  -2.694
   35    HB3  NLE   4           HB2      NLE   4  -7.085  -5.094  -1.164
   36    HG2  NLE   4           HG1      NLE   4  -5.328  -6.267   0.003
   37    HG3  NLE   4           HG2      NLE   4  -4.373  -6.366  -1.478
   38    HD2  NLE   4           HD1      NLE   4  -6.159  -7.725  -2.510
   39    HD3  NLE   4           HD2      NLE   4  -7.047  -7.676  -0.979
   40    HE1  NLE   4           HE1      NLE   4  -5.175  -8.768   0.143
   41    HE2  NLE   4           HE2      NLE   4  -4.281  -8.806  -1.374
   42    HE3  NLE   4           HE3      NLE   4  -5.759  -9.748  -1.201
   43    H    CYS   5           HN       CYS   5  -3.204  -3.747  -0.178
   44    HA   CYS   5           HA       CYS   5  -1.427  -3.350  -2.348
   45    HB2  CYS   5           HB2      CYS   5  -0.819  -2.689  -0.083
   46    HB3  CYS   5           HB1      CYS   5  -0.928  -4.361   0.450
   47    H    THR   6           HN       THR   6  -1.197  -4.808  -3.909
   48    HA   THR   6           HA       THR   6  -1.759  -7.602  -3.375
   49    HB   THR   6           HB       THR   6  -0.957  -6.473  -6.048
   50    HG1  THR   6           HG1      THR   6  -3.002  -5.627  -4.543
   51   HG21  THR   6          HG21      THR   6  -2.463  -8.190  -6.900
   52   HG22  THR   6          HG22      THR   6  -2.913  -8.639  -5.256
   53   HG23  THR   6          HG23      THR   6  -1.267  -8.916  -5.825
   54    H    TRP   7           HN       TRP   7   0.793  -6.076  -2.566
   55    HA   TRP   7           HA       TRP   7   2.959  -7.253  -3.939
   56    HB2  TRP   7           HB2      TRP   7   3.061  -5.263  -2.364
   57    HB3  TRP   7           HB1      TRP   7   2.935  -6.411  -1.042
   58    HD1  TRP   7           HD1      TRP   7   5.059  -8.050  -0.641
   59    HE1  TRP   7           HE1      TRP   7   7.545  -7.751  -1.242
   60    HE3  TRP   7           HE3      TRP   7   4.610  -4.320  -4.087
   61    HZ2  TRP   7           HZ2      TRP   7   9.107  -6.136  -2.951
   62    HZ3  TRP   7           HZ3      TRP   7   6.645  -3.445  -5.160
   63    HH2  TRP   7           HH2      TRP   7   8.844  -4.334  -4.605
   64    H    AIB   8           HN       AIB   8   3.986  -9.135  -3.648
   65   HB11  AIB   8          HB11      AIB   8   4.599 -11.385  -4.314
   66   HB12  AIB   8          HB12      AIB   8   4.783 -12.541  -2.997
   67   HB13  AIB   8          HB13      AIB   8   5.618 -10.989  -2.931
   68   HB21  AIB   8          HB21      AIB   8   1.411 -11.218  -2.545
   69   HB22  AIB   8          HB22      AIB   8   2.382 -12.683  -2.694
   70   HB23  AIB   8          HB23      AIB   8   2.212 -11.594  -4.070
   71    H    GLY   9           HN       GLY   9   1.906 -11.821  -0.799
   72    HA2  GLY   9           HA2      GLY   9   2.266 -12.702   1.330
   73    HA3  GLY   9           HA1      GLY   9   3.895 -12.054   1.301
   74    H    CYS  10           HN       CYS  10   1.736  -9.652   0.375
   75    HA   CYS  10           HA       CYS  10   1.866  -8.541   3.083
   76    HB2  CYS  10           HB2      CYS  10   2.902  -7.323   1.120
   77    HB3  CYS  10           HB1      CYS  10   1.266  -7.043   0.546
   78    H    GLY  11           HN       GLY  11  -0.400  -7.703   0.460
   79    HA2  GLY  11           HA2      GLY  11  -2.691  -7.792   0.383
   80    HA3  GLY  11           HA1      GLY  11  -2.634  -8.971   1.681
   81    H    LYS  12           HN       LYS  12  -1.201  -5.821   2.040
   82    HA   LYS  12           HA       LYS  12  -2.833  -5.178   4.286
   83    HB2  LYS  12           HB2      LYS  12  -0.384  -4.394   3.533
   84    HB3  LYS  12           HB1      LYS  12  -1.305  -3.060   2.857
   85    HG2  LYS  12           HG2      LYS  12  -0.666  -2.318   4.965
   86    HG3  LYS  12           HG1      LYS  12  -2.341  -2.830   5.174
   87    HD2  LYS  12           HD2      LYS  12  -1.561  -4.980   6.061
   88    HD3  LYS  12           HD1      LYS  12   0.109  -4.452   5.860
   89    HE2  LYS  12           HE2      LYS  12  -0.479  -4.140   8.147
   90    HE3  LYS  12           HE1      LYS  12  -0.392  -2.550   7.396
   91    HZ1  LYS  12           HZ1      LYS  12  -2.332  -2.767   8.819
   92    HZ2  LYS  12           HZ2      LYS  12  -2.885  -4.076   7.904
   93    HZ3  LYS  12           HZ3      LYS  12  -2.790  -2.538   7.211
   94    H    ARG  13           HN       ARG  13  -4.762  -4.141   4.305
   95    HA   ARG  13           HA       ARG  13  -5.758  -3.197   1.706
   96    HB2  ARG  13           HB2      ARG  13  -6.911  -5.148   2.709
   97    HB3  ARG  13           HB1      ARG  13  -7.334  -4.159   4.098
   98    HG2  ARG  13           HG2      ARG  13  -8.743  -2.772   2.788
   99    HG3  ARG  13           HG1      ARG  13  -8.162  -3.496   1.288
  100    HD2  ARG  13           HD2      ARG  13  -9.743  -4.890   3.444
  101    HD3  ARG  13           HD1      ARG  13 -10.360  -4.359   1.880
  102    HE   ARG  13           HE       ARG  13  -8.229  -6.392   2.139
  103   HH11  ARG  13          HH11      ARG  13 -11.401  -6.634  -0.316
  104   HH12  ARG  13          HH12      ARG  13 -11.270  -5.302   0.785
  105   HH21  ARG  13          HH21      ARG  13  -8.409  -8.158   0.718
  106   HH22  ARG  13          HH22      ARG  13  -9.773  -8.265  -0.352
  107    H    PHE  14           HN       PHE  14  -6.741  -1.248   1.482
  108    HA   PHE  14           HA       PHE  14  -6.871   0.533   3.818
  109    HB2  PHE  14           HB2      PHE  14  -5.640   1.287   1.157
  110    HB3  PHE  14           HB1      PHE  14  -5.781   2.318   2.573
  111    HD1  PHE  14           HD1      PHE  14  -4.384   1.953   4.524
  112    HD2  PHE  14           HD2      PHE  14  -3.946  -0.384   1.001
  113    HE1  PHE  14           HE1      PHE  14  -2.182   1.192   5.307
  114    HE2  PHE  14           HE2      PHE  14  -1.741  -1.146   1.773
  115    HZ   PHE  14           HZ       PHE  14  -0.886  -0.409   3.959
  116    H    THR  15           HN       THR  15  -8.245   2.389   3.495
  117    HA   THR  15           HA       THR  15 -10.442   1.842   1.655
  118    HB   THR  15           HB       THR  15 -10.277   3.986   3.783
  119    HG1  THR  15           HG1      THR  15 -10.020   1.811   4.621
  120   HG21  THR  15          HG21      THR  15 -12.643   2.682   2.425
  121   HG22  THR  15          HG22      THR  15 -12.050   4.315   2.121
  122   HG23  THR  15          HG23      THR  15 -12.726   3.901   3.697
  123    H    ARG  16           HN       ARG  16  -7.696   3.865   1.909
  124    HA   ARG  16           HA       ARG  16  -8.748   5.568  -0.250
  125    HB2  ARG  16           HB2      ARG  16  -6.720   6.379   1.836
  126    HB3  ARG  16           HB1      ARG  16  -7.362   7.397   0.558
  127    HG2  ARG  16           HG2      ARG  16  -9.620   7.119   1.607
  128    HG3  ARG  16           HG1      ARG  16  -8.810   6.334   2.964
  129    HD2  ARG  16           HD2      ARG  16  -8.779   9.182   2.119
  130    HD3  ARG  16           HD1      ARG  16  -8.825   8.480   3.736
  131    HE   ARG  16           HE       ARG  16  -6.462   9.018   2.113
  132   HH11  ARG  16          HH11      ARG  16  -7.799   7.575   5.018
  133   HH12  ARG  16          HH12      ARG  16  -6.257   7.415   5.795
  134   HH21  ARG  16          HH21      ARG  16  -4.444   8.821   3.122
  135   HH22  ARG  16          HH22      ARG  16  -4.337   8.094   4.709
  136    H    SER  17           HN       SER  17  -7.374   6.075  -1.923
  137    HA   SER  17           HA       SER  17  -5.445   4.081  -2.556
  138    HB2  SER  17           HB2      SER  17  -5.133   5.577  -4.614
  139    HB3  SER  17           HB1      SER  17  -6.744   4.911  -4.356
  140    HG   SER  17           HG       SER  17  -5.855   7.531  -4.219
  141    H    ASP  18           HN       ASP  18  -5.304   7.388  -1.401
  142    HA   ASP  18           HA       ASP  18  -2.526   7.773  -1.895
  143    HB2  ASP  18           HB2      ASP  18  -2.705   9.749  -0.522
  144    HB3  ASP  18           HB1      ASP  18  -4.138   9.647  -1.533
  145    H    GLU  19           HN       GLU  19  -4.369   6.352   0.674
  146    HA   GLU  19           HA       GLU  19  -2.256   6.221   2.580
  147    HB2  GLU  19           HB2      GLU  19  -4.777   6.016   3.018
  148    HB3  GLU  19           HB1      GLU  19  -4.624   4.362   2.450
  149    HG2  GLU  19           HG2      GLU  19  -4.558   4.443   4.857
  150    HG3  GLU  19           HG1      GLU  19  -3.008   3.902   4.215
  151    H    LEU  20           HN       LEU  20  -3.622   3.980   0.201
  152    HA   LEU  20           HA       LEU  20  -1.849   1.845   0.602
  153    HB2  LEU  20           HB2      LEU  20  -3.823   1.528  -0.717
  154    HB3  LEU  20           HB1      LEU  20  -3.348   2.790  -1.835
  155    HG   LEU  20           HG       LEU  20  -1.480   1.385  -2.620
  156   HD11  LEU  20          HD11      LEU  20  -2.667  -0.715  -0.817
  157   HD12  LEU  20          HD12      LEU  20  -1.111   0.084  -0.592
  158   HD13  LEU  20          HD13      LEU  20  -1.372  -0.964  -1.985
  159   HD21  LEU  20          HD21      LEU  20  -3.673   1.340  -3.741
  160   HD22  LEU  20          HD22      LEU  20  -4.142  -0.023  -2.726
  161   HD23  LEU  20          HD23      LEU  20  -2.814  -0.193  -3.871
  162    H    GLN  21           HN       GLN  21  -1.650   4.659  -1.546
  163    HA   GLN  21           HA       GLN  21   0.784   4.056  -2.777
  164    HB2  GLN  21           HB2      GLN  21  -0.739   5.860  -3.499
  165    HB3  GLN  21           HB1      GLN  21  -0.325   6.777  -2.058
  166    HG2  GLN  21           HG2      GLN  21   0.855   7.605  -4.008
  167    HG3  GLN  21           HG1      GLN  21   1.976   6.957  -2.813
  168   HE21  GLN  21          HE21      GLN  21   3.566   6.673  -4.372
  169   HE22  GLN  21          HE22      GLN  21   3.492   5.399  -5.538
  170    H    ARG  22           HN       ARG  22   0.133   5.945   0.156
  171    HA   ARG  22           HA       ARG  22   2.737   6.536   0.917
  172    HB2  ARG  22           HB2      ARG  22   0.867   7.525   2.064
  173    HB3  ARG  22           HB1      ARG  22   0.286   5.950   2.578
  174    HG2  ARG  22           HG2      ARG  22   2.366   5.707   3.936
  175    HG3  ARG  22           HG1      ARG  22   2.757   7.378   3.525
  176    HD2  ARG  22           HD2      ARG  22   0.758   8.169   4.598
  177    HD3  ARG  22           HD1      ARG  22   0.198   6.520   4.867
  178    HE   ARG  22           HE       ARG  22   2.699   7.433   6.110
  179   HH11  ARG  22          HH11      ARG  22  -0.491   6.047   8.126
  180   HH12  ARG  22          HH12      ARG  22  -0.614   6.312   6.411
  181   HH21  ARG  22          HH21      ARG  22   1.488   6.475   9.227
  182   HH22  ARG  22          HH22      ARG  22   2.862   7.071   8.350
  183    H    HIS  23           HN       HIS  23   0.764   3.697   1.624
  184    HA   HIS  23           HA       HIS  23   2.594   2.356   3.261
  185    HB2  HIS  23           HB2      HIS  23   0.358   1.598   3.293
  186    HB3  HIS  23           HB1      HIS  23   0.302   1.433   1.544
  187    HD1  HIS  23           HD1      HIS  23   1.475  -0.389   4.646
  188    HD2  HIS  23           HD2      HIS  23   1.322  -0.894   0.508
  189    HE1  HIS  23           HE1      HIS  23   2.117  -2.812   4.179
  190    H    LYS  24           HN       LYS  24   2.092   2.187  -0.255
  191    HA   LYS  24           HA       LYS  24   3.781   0.039  -0.794
  192    HB2  LYS  24           HB2      LYS  24   3.018   2.409  -2.484
  193    HB3  LYS  24           HB1      LYS  24   4.008   1.092  -3.095
  194    HG2  LYS  24           HG2      LYS  24   2.166  -0.475  -2.538
  195    HG3  LYS  24           HG1      LYS  24   1.179   0.916  -2.088
  196    HD2  LYS  24           HD2      LYS  24   1.253   1.779  -4.311
  197    HD3  LYS  24           HD1      LYS  24   2.453   0.578  -4.795
  198    HE2  LYS  24           HE2      LYS  24  -0.358  -0.041  -3.899
  199    HE3  LYS  24           HE1      LYS  24   0.172   0.038  -5.577
  200    HZ1  LYS  24           HZ1      LYS  24   1.274  -1.828  -3.546
  201    HZ2  LYS  24           HZ2      LYS  24   1.660  -1.790  -5.191
  202    HZ3  LYS  24           HZ3      LYS  24   0.106  -2.237  -4.698
  203    H    ARG  25           HN       ARG  25   4.572   3.310  -0.027
  204    HA   ARG  25           HA       ARG  25   7.135   3.477  -1.147
  205    HB2  ARG  25           HB2      ARG  25   6.130   4.739   1.405
  206    HB3  ARG  25           HB1      ARG  25   7.545   5.249   0.493
  207    HG2  ARG  25           HG2      ARG  25   6.156   5.889  -1.373
  208    HG3  ARG  25           HG1      ARG  25   4.722   5.284  -0.546
  209    HD2  ARG  25           HD2      ARG  25   5.182   6.921   1.282
  210    HD3  ARG  25           HD1      ARG  25   6.458   7.602   0.274
  211    HE   ARG  25           HE       ARG  25   4.441   7.782  -1.399
  212   HH11  ARG  25          HH11      ARG  25   3.241   9.672   1.938
  213   HH12  ARG  25          HH12      ARG  25   4.509   8.490   2.027
  214   HH21  ARG  25          HH21      ARG  25   2.774   9.333  -1.524
  215   HH22  ARG  25          HH22      ARG  25   2.254  10.153  -0.085
  216    H    THR  26           HN       THR  26   5.988   1.638   1.522
  217    HA   THR  26           HA       THR  26   8.533   1.440   2.851
  218    HB   THR  26           HB       THR  26   7.464  -0.238   4.284
  219    HG1  THR  26           HG1      THR  26   5.055   0.162   2.832
  220   HG21  THR  26          HG21      THR  26   5.739   1.185   5.269
  221   HG22  THR  26          HG22      THR  26   5.686   2.157   3.798
  222   HG23  THR  26          HG23      THR  26   7.142   2.143   4.796
  223    H    HIS  27           HN       HIS  27   6.943  -0.215   0.267
  224    HA   HIS  27           HA       HIS  27   8.712  -2.519   0.448
  225    HB2  HIS  27           HB2      HIS  27   6.667  -1.758  -1.647
  226    HB3  HIS  27           HB1      HIS  27   7.623  -3.234  -1.680
  227    HD1  HIS  27           HD1      HIS  27   7.167  -4.826   0.629
  228    HD2  HIS  27           HD2      HIS  27   4.282  -2.058  -0.559
  229    HE1  HIS  27           HE1      HIS  27   4.955  -5.586   1.653
  230    H    THR  28           HN       THR  28   8.221   0.358  -1.536
  231    HA   THR  28           HA       THR  28  10.290  -0.289  -3.390
  232    HB   THR  28           HB       THR  28  10.012   2.115  -4.107
  233    HG1  THR  28           HG1      THR  28   9.223   3.217  -2.413
  234   HG21  THR  28          HG21      THR  28   7.776   1.755  -5.060
  235   HG22  THR  28          HG22      THR  28   7.509   0.429  -3.930
  236   HG23  THR  28          HG23      THR  28   8.758   0.295  -5.164
  237    H    GLY  29           HN       GLY  29  10.144   1.420  -0.356
  238    HA2  GLY  29           HA2      GLY  29  12.935   2.277  -0.664
  239    HA3  GLY  29           HA1      GLY  29  11.831   2.796   0.603
  240    H    GLU  30           HN       GLU  30  14.528   1.074   0.149
  241    HA   GLU  30           HA       GLU  30  13.896  -1.300   1.634
  242    HB2  GLU  30           HB2      GLU  30  15.669  -1.232  -0.093
  243    HB3  GLU  30           HB1      GLU  30  16.593  -0.140   0.928
  244    HG2  GLU  30           HG2      GLU  30  16.758  -1.869   2.636
  245    HG3  GLU  30           HG1      GLU  30  15.823  -2.963   1.616
  246    H    LYS  31           HN       LYS  31  15.584   1.744   2.297
  247    HA   LYS  31           HA       LYS  31  15.414   1.105   5.164
  248    HB2  LYS  31           HB2      LYS  31  17.134   2.953   5.423
  249    HB3  LYS  31           HB1      LYS  31  17.693   1.489   4.631
  250    HG2  LYS  31           HG2      LYS  31  17.632   2.529   2.492
  251    HG3  LYS  31           HG1      LYS  31  16.795   3.940   3.136
  252    HD2  LYS  31           HD2      LYS  31  19.155   4.426   2.765
  253    HD3  LYS  31           HD1      LYS  31  18.766   4.490   4.485
  254    HE2  LYS  31           HE2      LYS  31  20.878   3.356   4.151
  255    HE3  LYS  31           HE1      LYS  31  19.675   2.219   4.753
  256    HZ1  LYS  31           HZ1      LYS  31  21.002   1.280   2.961
  257    HZ2  LYS  31           HZ2      LYS  31  20.496   2.507   1.915
  258    HZ3  LYS  31           HZ3      LYS  31  19.378   1.392   2.513
  259    HN1  NH2  32           HN1      NH2  32  13.111   1.710   4.749
  260    HN2  NH2  32           HN2      NH2  32  12.684   3.377   4.939
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1 -13.256   1.217  -4.710
    2    H2   ARG   1           HT2      ARG   1 -14.429   0.451  -3.767
    3    H3   ARG   1           HT3      ARG   1 -14.462   0.289  -5.450
    4    HA   ARG   1           HA       ARG   1 -13.613  -1.694  -4.360
    5    HB2  ARG   1           HB2      ARG   1 -11.655  -1.976  -5.761
    6    HB3  ARG   1           HB1      ARG   1 -12.858  -1.050  -6.647
    7    HG2  ARG   1           HG2      ARG   1 -11.655   1.007  -6.183
    8    HG3  ARG   1           HG1      ARG   1 -10.473   0.116  -5.223
    9    HD2  ARG   1           HD2      ARG   1  -9.586   0.558  -7.431
   10    HD3  ARG   1           HD1      ARG   1  -9.847  -1.171  -7.220
   11    HE   ARG   1           HE       ARG   1 -12.142  -0.293  -8.392
   12   HH11  ARG   1          HH11      ARG   1  -9.030  -0.020 -10.916
   13   HH12  ARG   1          HH12      ARG   1  -8.750  -0.040  -9.206
   14   HH21  ARG   1          HH21      ARG   1 -11.186  -0.147 -11.731
   15   HH22  ARG   1          HH22      ARG   1 -12.523  -0.260 -10.633
   16    HA   PRO   2           HA       PRO   2 -10.913  -0.960  -0.855
   17    HB2  PRO   2           HB2      PRO   2 -10.126  -3.761  -0.993
   18    HB3  PRO   2           HB1      PRO   2 -11.057  -2.934   0.254
   19    HG2  PRO   2           HG2      PRO   2 -12.147  -4.766  -1.419
   20    HG3  PRO   2           HG1      PRO   2 -13.067  -3.410  -0.743
   21    HD2  PRO   2           HD2      PRO   2 -11.867  -3.715  -3.472
   22    HD3  PRO   2           HD1      PRO   2 -13.429  -3.016  -2.993
   23    H    PHE   3           HN       PHE   3  -8.837  -0.338  -0.755
   24    HA   PHE   3           HA       PHE   3  -7.175  -0.834  -3.085
   25    HB2  PHE   3           HB2      PHE   3  -6.727   0.983  -0.704
   26    HB3  PHE   3           HB1      PHE   3  -5.742   0.937  -2.162
   27    HD1  PHE   3           HD1      PHE   3  -6.723   1.641  -4.333
   28    HD2  PHE   3           HD2      PHE   3  -8.754   2.178  -0.639
   29    HE1  PHE   3           HE1      PHE   3  -8.179   3.315  -5.389
   30    HE2  PHE   3           HE2      PHE   3 -10.223   3.849  -1.686
   31    HZ   PHE   3           HZ       PHE   3 -10.005   4.338  -4.097
   32    H    NLE   4           HN       NLE   4  -6.474  -2.898  -2.867
   33    HA   NLE   4           HA       NLE   4  -5.239  -3.699  -0.337
   34    HB2  NLE   4           HB1      NLE   4  -6.172  -5.320  -2.705
   35    HB3  NLE   4           HB2      NLE   4  -6.983  -5.171  -1.157
   36    HG2  NLE   4           HG1      NLE   4  -5.206  -6.365  -0.054
   37    HG3  NLE   4           HG2      NLE   4  -4.272  -6.418  -1.552
   38    HD2  NLE   4           HD1      NLE   4  -6.096  -7.738  -2.597
   39    HD3  NLE   4           HD2      NLE   4  -6.935  -7.752  -1.039
   40    HE1  NLE   4           HE1      NLE   4  -4.188  -8.874  -1.572
   41    HE2  NLE   4           HE2      NLE   4  -5.669  -9.813  -1.385
   42    HE3  NLE   4           HE3      NLE   4  -5.031  -8.893  -0.022
   43    H    CYS   5           HN       CYS   5  -3.132  -3.661  -0.157
   44    HA   CYS   5           HA       CYS   5  -1.348  -3.410  -2.355
   45    HB2  CYS   5           HB2      CYS   5  -0.683  -2.538  -0.208
   46    HB3  CYS   5           HB1      CYS   5  -0.880  -4.119   0.539
   47    H    THR   6           HN       THR   6  -1.162  -4.996  -3.775
   48    HA   THR   6           HA       THR   6  -1.485  -7.760  -2.939
   49    HB   THR   6           HB       THR   6  -0.945  -6.818  -5.751
   50    HG1  THR   6           HG1      THR   6  -2.976  -6.050  -4.200
   51   HG21  THR   6          HG21      THR   6  -0.937  -9.243  -5.335
   52   HG22  THR   6          HG22      THR   6  -2.307  -8.770  -6.339
   53   HG23  THR   6          HG23      THR   6  -2.548  -9.127  -4.630
   54    H    TRP   7           HN       TRP   7   0.869  -6.335  -2.057
   55    HA   TRP   7           HA       TRP   7   3.108  -7.304  -3.548
   56    HB2  TRP   7           HB2      TRP   7   3.109  -5.320  -1.943
   57    HB3  TRP   7           HB1      TRP   7   3.095  -6.498  -0.643
   58    HD1  TRP   7           HD1      TRP   7   5.341  -7.920  -0.248
   59    HE1  TRP   7           HE1      TRP   7   7.781  -7.487  -0.952
   60    HE3  TRP   7           HE3      TRP   7   4.522  -4.346  -3.795
   61    HZ2  TRP   7           HZ2      TRP   7   9.167  -5.829  -2.772
   62    HZ3  TRP   7           HZ3      TRP   7   6.458  -3.381  -4.972
   63    HH2  TRP   7           HH2      TRP   7   8.730  -4.109  -4.471
   64    H    AIB   8           HN       AIB   8   4.512  -8.975  -2.903
   65   HB11  AIB   8          HB11      AIB   8   5.641 -12.239  -2.045
   66   HB12  AIB   8          HB12      AIB   8   6.187 -10.577  -1.822
   67   HB13  AIB   8          HB13      AIB   8   5.589 -11.106  -3.394
   68   HB21  AIB   8          HB21      AIB   8   2.092 -11.425  -2.451
   69   HB22  AIB   8          HB22      AIB   8   3.262 -12.741  -2.339
   70   HB23  AIB   8          HB23      AIB   8   3.287 -11.653  -3.726
   71    H    GLY   9           HN       GLY   9   2.160 -11.889  -0.634
   72    HA2  GLY   9           HA2      GLY   9   1.871 -12.661   1.508
   73    HA3  GLY   9           HA1      GLY   9   3.551 -12.276   1.830
   74    H    CYS  10           HN       CYS  10   1.765  -9.623   0.609
   75    HA   CYS  10           HA       CYS  10   1.829  -8.463   3.286
   76    HB2  CYS  10           HB2      CYS  10   2.879  -7.319   1.288
   77    HB3  CYS  10           HB1      CYS  10   1.247  -7.017   0.710
   78    H    GLY  11           HN       GLY  11  -0.442  -7.935   0.563
   79    HA2  GLY  11           HA2      GLY  11  -2.731  -7.939   0.506
   80    HA3  GLY  11           HA1      GLY  11  -2.663  -9.128   1.794
   81    H    LYS  12           HN       LYS  12  -1.414  -5.860   1.990
   82    HA   LYS  12           HA       LYS  12  -3.066  -5.328   4.305
   83    HB2  LYS  12           HB2      LYS  12  -0.577  -4.658   3.904
   84    HB3  LYS  12           HB1      LYS  12  -1.251  -3.338   2.963
   85    HG2  LYS  12           HG2      LYS  12  -0.802  -2.506   5.125
   86    HG3  LYS  12           HG1      LYS  12  -2.552  -2.672   4.985
   87    HD2  LYS  12           HD2      LYS  12  -2.568  -4.621   6.327
   88    HD3  LYS  12           HD1      LYS  12  -0.816  -4.799   6.215
   89    HE2  LYS  12           HE2      LYS  12  -1.531  -3.932   8.403
   90    HE3  LYS  12           HE1      LYS  12  -0.493  -2.801   7.536
   91    HZ1  LYS  12           HZ1      LYS  12  -3.451  -2.652   7.736
   92    HZ2  LYS  12           HZ2      LYS  12  -2.481  -1.581   6.862
   93    HZ3  LYS  12           HZ3      LYS  12  -2.346  -1.659   8.541
   94    H    ARG  13           HN       ARG  13  -5.036  -4.409   4.155
   95    HA   ARG  13           HA       ARG  13  -5.778  -3.230   1.575
   96    HB2  ARG  13           HB2      ARG  13  -7.500  -4.299   3.813
   97    HB3  ARG  13           HB1      ARG  13  -8.124  -3.566   2.342
   98    HG2  ARG  13           HG2      ARG  13  -7.018  -5.325   1.025
   99    HG3  ARG  13           HG1      ARG  13  -6.479  -6.078   2.525
  100    HD2  ARG  13           HD2      ARG  13  -9.356  -5.580   1.777
  101    HD3  ARG  13           HD1      ARG  13  -8.519  -7.118   1.585
  102    HE   ARG  13           HE       ARG  13  -8.195  -6.474   4.227
  103   HH11  ARG  13          HH11      ARG  13 -11.991  -7.457   3.339
  104   HH12  ARG  13          HH12      ARG  13 -10.936  -6.878   2.090
  105   HH21  ARG  13          HH21      ARG  13  -9.586  -7.249   5.885
  106   HH22  ARG  13          HH22      ARG  13 -11.220  -7.679   5.491
  107    H    PHE  14           HN       PHE  14  -6.621  -1.242   1.354
  108    HA   PHE  14           HA       PHE  14  -6.899   0.433   3.752
  109    HB2  PHE  14           HB2      PHE  14  -5.607   1.322   1.166
  110    HB3  PHE  14           HB1      PHE  14  -5.748   2.251   2.653
  111    HD1  PHE  14           HD1      PHE  14  -4.442   1.614   4.633
  112    HD2  PHE  14           HD2      PHE  14  -3.888  -0.271   0.866
  113    HE1  PHE  14           HE1      PHE  14  -2.280   0.731   5.395
  114    HE2  PHE  14           HE2      PHE  14  -1.718  -1.147   1.618
  115    HZ   PHE  14           HZ       PHE  14  -0.916  -0.647   3.888
  116    H    THR  15           HN       THR  15  -8.334   2.237   3.487
  117    HA   THR  15           HA       THR  15 -10.253   1.833   1.301
  118    HB   THR  15           HB       THR  15 -11.154   1.623   3.598
  119    HG1  THR  15           HG1      THR  15 -12.086   3.818   2.028
  120   HG21  THR  15          HG21      THR  15 -10.399   4.535   3.825
  121   HG22  THR  15          HG22      THR  15  -9.733   3.199   4.763
  122   HG23  THR  15          HG23      THR  15 -11.422   3.662   4.962
  123    H    ARG  16           HN       ARG  16  -7.626   3.518   1.655
  124    HA   ARG  16           HA       ARG  16  -8.694   5.835   0.214
  125    HB2  ARG  16           HB2      ARG  16  -6.573   5.948   2.369
  126    HB3  ARG  16           HB1      ARG  16  -7.021   7.292   1.332
  127    HG2  ARG  16           HG2      ARG  16  -9.358   7.059   2.274
  128    HG3  ARG  16           HG1      ARG  16  -8.660   5.967   3.470
  129    HD2  ARG  16           HD2      ARG  16  -7.889   8.846   3.002
  130    HD3  ARG  16           HD1      ARG  16  -8.821   8.221   4.359
  131    HE   ARG  16           HE       ARG  16  -6.505   6.819   4.497
  132   HH11  ARG  16          HH11      ARG  16  -5.875  10.719   5.239
  133   HH12  ARG  16          HH12      ARG  16  -7.275  10.225   4.344
  134   HH21  ARG  16          HH21      ARG  16  -4.654   7.457   5.706
  135   HH22  ARG  16          HH22      ARG  16  -4.397   9.151   6.021
  136    H    SER  17           HN       SER  17  -7.572   6.368  -1.569
  137    HA   SER  17           HA       SER  17  -5.821   4.473  -2.698
  138    HB2  SER  17           HB2      SER  17  -6.099   7.310  -3.674
  139    HB3  SER  17           HB1      SER  17  -5.861   5.840  -4.616
  140    HG   SER  17           HG       SER  17  -7.933   5.594  -4.688
  141    H    ASP  18           HN       ASP  18  -5.284   7.659  -1.279
  142    HA   ASP  18           HA       ASP  18  -2.510   7.781  -1.904
  143    HB2  ASP  18           HB2      ASP  18  -2.450   9.686  -0.360
  144    HB3  ASP  18           HB1      ASP  18  -3.818   9.809  -1.460
  145    H    GLU  19           HN       GLU  19  -4.366   6.456   0.703
  146    HA   GLU  19           HA       GLU  19  -2.298   6.139   2.591
  147    HB2  GLU  19           HB2      GLU  19  -4.782   5.907   3.010
  148    HB3  GLU  19           HB1      GLU  19  -4.691   4.334   2.238
  149    HG2  GLU  19           HG2      GLU  19  -4.634   4.014   4.584
  150    HG3  GLU  19           HG1      GLU  19  -3.029   3.660   3.947
  151    H    LEU  20           HN       LEU  20  -3.577   4.022   0.054
  152    HA   LEU  20           HA       LEU  20  -1.807   1.873   0.470
  153    HB2  LEU  20           HB2      LEU  20  -3.777   1.536  -0.836
  154    HB3  LEU  20           HB1      LEU  20  -3.325   2.801  -1.960
  155    HG   LEU  20           HG       LEU  20  -1.465   1.423  -2.780
  156   HD11  LEU  20          HD11      LEU  20  -2.528  -0.664  -0.888
  157   HD12  LEU  20          HD12      LEU  20  -0.981   0.172  -0.757
  158   HD13  LEU  20          HD13      LEU  20  -1.282  -0.919  -2.108
  159   HD21  LEU  20          HD21      LEU  20  -3.712   1.285  -3.816
  160   HD22  LEU  20          HD22      LEU  20  -4.063  -0.106  -2.786
  161   HD23  LEU  20          HD23      LEU  20  -2.772  -0.197  -3.982
  162    H    GLN  21           HN       GLN  21  -1.587   4.719  -1.650
  163    HA   GLN  21           HA       GLN  21   0.841   4.018  -2.883
  164    HB2  GLN  21           HB2      GLN  21  -0.363   6.732  -2.330
  165    HB3  GLN  21           HB1      GLN  21   1.067   6.484  -3.324
  166    HG2  GLN  21           HG2      GLN  21  -1.594   5.208  -3.900
  167    HG3  GLN  21           HG1      GLN  21  -1.086   6.754  -4.572
  168   HE21  GLN  21          HE21      GLN  21  -1.228   5.928  -6.662
  169   HE22  GLN  21          HE22      GLN  21  -0.035   4.852  -7.302
  170    H    ARG  22           HN       ARG  22   0.192   5.958   0.004
  171    HA   ARG  22           HA       ARG  22   2.828   6.517   0.733
  172    HB2  ARG  22           HB2      ARG  22   0.922   7.599   1.788
  173    HB3  ARG  22           HB1      ARG  22   0.391   6.065   2.458
  174    HG2  ARG  22           HG2      ARG  22   2.458   5.972   3.801
  175    HG3  ARG  22           HG1      ARG  22   2.900   7.563   3.176
  176    HD2  ARG  22           HD2      ARG  22   0.883   8.521   4.137
  177    HD3  ARG  22           HD1      ARG  22   0.391   6.933   4.725
  178    HE   ARG  22           HE       ARG  22   2.898   7.416   5.784
  179   HH11  ARG  22          HH11      ARG  22  -0.045   9.506   7.538
  180   HH12  ARG  22          HH12      ARG  22  -0.276   8.877   5.940
  181   HH21  ARG  22          HH21      ARG  22   1.945   9.143   8.647
  182   HH22  ARG  22          HH22      ARG  22   3.210   8.238   7.875
  183    H    HIS  23           HN       HIS  23   0.747   3.766   1.521
  184    HA   HIS  23           HA       HIS  23   2.510   2.408   3.211
  185    HB2  HIS  23           HB2      HIS  23   0.254   1.675   3.183
  186    HB3  HIS  23           HB1      HIS  23   0.266   1.463   1.438
  187    HD1  HIS  23           HD1      HIS  23   1.193  -0.315   4.631
  188    HD2  HIS  23           HD2      HIS  23   1.429  -0.865   0.504
  189    HE1  HIS  23           HE1      HIS  23   1.868  -2.745   4.253
  190    H    LYS  24           HN       LYS  24   2.141   2.272  -0.317
  191    HA   LYS  24           HA       LYS  24   3.832   0.147  -0.874
  192    HB2  LYS  24           HB2      LYS  24   3.335   2.676  -2.435
  193    HB3  LYS  24           HB1      LYS  24   4.315   1.356  -3.051
  194    HG2  LYS  24           HG2      LYS  24   2.372  -0.141  -2.881
  195    HG3  LYS  24           HG1      LYS  24   1.395   1.223  -2.329
  196    HD2  LYS  24           HD2      LYS  24   1.889   2.402  -4.428
  197    HD3  LYS  24           HD1      LYS  24   2.830   1.017  -4.974
  198    HE2  LYS  24           HE2      LYS  24  -0.107   0.963  -4.299
  199    HE3  LYS  24           HE1      LYS  24   0.556   1.066  -5.927
  200    HZ1  LYS  24           HZ1      LYS  24   1.612  -1.076  -5.595
  201    HZ2  LYS  24           HZ2      LYS  24  -0.058  -1.197  -5.357
  202    HZ3  LYS  24           HZ3      LYS  24   0.987  -1.175  -4.029
  203    H    ARG  25           HN       ARG  25   4.634   3.377   0.124
  204    HA   ARG  25           HA       ARG  25   7.318   3.383  -0.777
  205    HB2  ARG  25           HB2      ARG  25   5.996   4.988   1.408
  206    HB3  ARG  25           HB1      ARG  25   7.585   5.323   0.729
  207    HG2  ARG  25           HG2      ARG  25   6.518   5.603  -1.493
  208    HG3  ARG  25           HG1      ARG  25   4.948   5.415  -0.715
  209    HD2  ARG  25           HD2      ARG  25   5.402   7.374   0.675
  210    HD3  ARG  25           HD1      ARG  25   6.974   7.561  -0.105
  211    HE   ARG  25           HE       ARG  25   4.754   7.526  -1.938
  212   HH11  ARG  25          HH11      ARG  25   6.415  10.996  -0.787
  213   HH12  ARG  25          HH12      ARG  25   6.768   9.544   0.094
  214   HH21  ARG  25          HH21      ARG  25   4.302   9.434  -3.105
  215   HH22  ARG  25          HH22      ARG  25   5.013  10.935  -2.601
  216    H    THR  26           HN       THR  26   5.876   1.635   1.718
  217    HA   THR  26           HA       THR  26   8.257   1.472   3.346
  218    HB   THR  26           HB       THR  26   7.095  -0.287   4.592
  219    HG1  THR  26           HG1      THR  26   4.848   0.091   2.889
  220   HG21  THR  26          HG21      THR  26   5.229   1.038   5.440
  221   HG22  THR  26          HG22      THR  26   5.297   2.067   4.010
  222   HG23  THR  26          HG23      THR  26   6.639   2.059   5.154
  223    H    HIS  27           HN       HIS  27   6.888  -0.169   0.616
  224    HA   HIS  27           HA       HIS  27   8.784  -2.372   0.796
  225    HB2  HIS  27           HB2      HIS  27   6.787  -1.697  -1.381
  226    HB3  HIS  27           HB1      HIS  27   7.774  -3.150  -1.326
  227    HD1  HIS  27           HD1      HIS  27   7.226  -4.710   0.978
  228    HD2  HIS  27           HD2      HIS  27   4.348  -2.021  -0.406
  229    HE1  HIS  27           HE1      HIS  27   4.981  -5.480   1.925
  230    H    THR  28           HN       THR  28   8.068   0.381  -1.330
  231    HA   THR  28           HA       THR  28  10.817   0.842  -1.878
  232    HB   THR  28           HB       THR  28  10.497  -1.100  -3.355
  233    HG1  THR  28           HG1      THR  28  11.328  -0.095  -5.221
  234   HG21  THR  28          HG21      THR  28   8.124  -0.880  -3.838
  235   HG22  THR  28          HG22      THR  28   9.051  -0.915  -5.339
  236   HG23  THR  28          HG23      THR  28   8.426   0.615  -4.724
  237    H    GLY  29           HN       GLY  29   7.446   1.391  -2.787
  238    HA2  GLY  29           HA2      GLY  29   6.541   3.602  -2.466
  239    HA3  GLY  29           HA1      GLY  29   8.096   4.257  -2.953
  240    H    GLU  30           HN       GLU  30   7.168   5.568  -4.477
  241    HA   GLU  30           HA       GLU  30   5.443   4.621  -6.544
  242    HB2  GLU  30           HB2      GLU  30   5.400   6.944  -5.768
  243    HB3  GLU  30           HB1      GLU  30   7.066   7.163  -6.279
  244    HG2  GLU  30           HG2      GLU  30   6.318   6.710  -8.617
  245    HG3  GLU  30           HG1      GLU  30   4.657   6.737  -8.021
  246    H    LYS  31           HN       LYS  31   8.881   5.258  -6.213
  247    HA   LYS  31           HA       LYS  31   9.428   4.736  -8.995
  248    HB2  LYS  31           HB2      LYS  31  11.390   4.950  -6.707
  249    HB3  LYS  31           HB1      LYS  31  11.758   5.062  -8.420
  250    HG2  LYS  31           HG2      LYS  31  10.100   7.012  -6.838
  251    HG3  LYS  31           HG1      LYS  31  11.765   7.251  -7.369
  252    HD2  LYS  31           HD2      LYS  31  10.985   7.035  -9.717
  253    HD3  LYS  31           HD1      LYS  31   9.327   6.943  -9.119
  254    HE2  LYS  31           HE2      LYS  31  11.233   9.252  -8.746
  255    HE3  LYS  31           HE1      LYS  31   9.869   9.203  -9.858
  256    HZ1  LYS  31           HZ1      LYS  31   8.360   9.072  -8.009
  257    HZ2  LYS  31           HZ2      LYS  31   9.383  10.402  -7.793
  258    HZ3  LYS  31           HZ3      LYS  31   9.645   8.989  -6.905
  259    HN1  NH2  32           HN1      NH2  32  10.862   3.233  -6.126
  260    HN2  NH2  32           HN2      NH2  32  10.791   1.608  -6.722
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1 -13.564   2.975  -2.391
    2    H2   ARG   1           HT2      ARG   1 -14.626   1.691  -2.114
    3    H3   ARG   1           HT3      ARG   1 -14.706   2.556  -3.562
    4    HA   ARG   1           HA       ARG   1 -13.635   0.440  -3.909
    5    HB2  ARG   1           HB2      ARG   1 -11.785   2.823  -4.056
    6    HB3  ARG   1           HB1      ARG   1 -11.474   1.280  -4.839
    7    HG2  ARG   1           HG2      ARG   1 -13.414   1.543  -6.237
    8    HG3  ARG   1           HG1      ARG   1 -13.863   3.025  -5.389
    9    HD2  ARG   1           HD2      ARG   1 -12.769   3.516  -7.516
   10    HD3  ARG   1           HD1      ARG   1 -11.820   4.097  -6.152
   11    HE   ARG   1           HE       ARG   1 -11.061   1.475  -7.075
   12   HH11  ARG   1          HH11      ARG   1  -9.009   4.759  -8.155
   13   HH12  ARG   1          HH12      ARG   1 -10.562   4.923  -7.404
   14   HH21  ARG   1          HH21      ARG   1  -8.109   2.670  -8.507
   15   HH22  ARG   1          HH22      ARG   1  -8.989   1.252  -8.031
   16    HA   PRO   2           HA       PRO   2 -11.161  -0.773  -0.316
   17    HB2  PRO   2           HB2      PRO   2 -11.345  -3.453  -1.414
   18    HB3  PRO   2           HB1      PRO   2 -12.006  -2.836   0.099
   19    HG2  PRO   2           HG2      PRO   2 -13.554  -3.577  -2.012
   20    HG3  PRO   2           HG1      PRO   2 -14.034  -2.334  -0.842
   21    HD2  PRO   2           HD2      PRO   2 -12.894  -2.009  -3.593
   22    HD3  PRO   2           HD1      PRO   2 -14.186  -1.090  -2.788
   23    H    PHE   3           HN       PHE   3  -9.060  -0.361  -0.543
   24    HA   PHE   3           HA       PHE   3  -7.660  -1.215  -2.964
   25    HB2  PHE   3           HB2      PHE   3  -6.844   0.647  -0.722
   26    HB3  PHE   3           HB1      PHE   3  -5.833   0.253  -2.105
   27    HD1  PHE   3           HD1      PHE   3  -6.573   0.907  -4.386
   28    HD2  PHE   3           HD2      PHE   3  -8.555   2.260  -0.875
   29    HE1  PHE   3           HE1      PHE   3  -7.642   2.699  -5.687
   30    HE2  PHE   3           HE2      PHE   3  -9.630   4.051  -2.167
   31    HZ   PHE   3           HZ       PHE   3  -9.178   4.273  -4.579
   32    H    NLE   4           HN       NLE   4  -5.937  -2.618  -2.941
   33    HA   NLE   4           HA       NLE   4  -5.215  -3.806  -0.361
   34    HB2  NLE   4           HB1      NLE   4  -6.034  -5.352  -2.822
   35    HB3  NLE   4           HB2      NLE   4  -6.934  -5.254  -1.317
   36    HG2  NLE   4           HG1      NLE   4  -5.224  -6.468  -0.149
   37    HG3  NLE   4           HG2      NLE   4  -4.175  -6.435  -1.569
   38    HD2  NLE   4           HD1      NLE   4  -5.846  -7.773  -2.802
   39    HD3  NLE   4           HD2      NLE   4  -6.832  -7.853  -1.334
   40    HE1  NLE   4           HE1      NLE   4  -4.996  -8.964  -0.166
   41    HE2  NLE   4           HE2      NLE   4  -4.013  -8.886  -1.629
   42    HE3  NLE   4           HE3      NLE   4  -5.477  -9.869  -1.601
   43    H    CYS   5           HN       CYS   5  -3.104  -3.856  -0.138
   44    HA   CYS   5           HA       CYS   5  -1.329  -3.414  -2.337
   45    HB2  CYS   5           HB2      CYS   5  -0.683  -2.558  -0.190
   46    HB3  CYS   5           HB1      CYS   5  -0.829  -4.150   0.542
   47    H    THR   6           HN       THR   6  -1.248  -4.990  -3.816
   48    HA   THR   6           HA       THR   6  -1.267  -7.776  -2.992
   49    HB   THR   6           HB       THR   6  -0.984  -6.784  -5.827
   50    HG1  THR   6           HG1      THR   6  -3.137  -6.552  -4.080
   51   HG21  THR   6          HG21      THR   6  -0.735  -9.194  -5.440
   52   HG22  THR   6          HG22      THR   6  -2.217  -8.849  -6.329
   53   HG23  THR   6          HG23      THR   6  -2.289  -9.227  -4.609
   54    H    TRP   7           HN       TRP   7   0.935  -6.586  -1.992
   55    HA   TRP   7           HA       TRP   7   3.202  -7.185  -3.703
   56    HB2  TRP   7           HB2      TRP   7   3.200  -5.271  -2.051
   57    HB3  TRP   7           HB1      TRP   7   3.189  -6.467  -0.765
   58    HD1  TRP   7           HD1      TRP   7   5.434  -7.950  -0.458
   59    HE1  TRP   7           HE1      TRP   7   7.881  -7.437  -1.072
   60    HE3  TRP   7           HE3      TRP   7   4.655  -4.107  -3.723
   61    HZ2  TRP   7           HZ2      TRP   7   9.292  -5.626  -2.716
   62    HZ3  TRP   7           HZ3      TRP   7   6.605  -3.028  -4.768
   63    HH2  TRP   7           HH2      TRP   7   8.874  -3.772  -4.275
   64    H    AIB   8           HN       AIB   8   4.641  -8.876  -3.301
   65   HB11  AIB   8          HB11      AIB   8   6.472 -10.499  -2.520
   66   HB12  AIB   8          HB12      AIB   8   5.631 -11.014  -3.983
   67   HB13  AIB   8          HB13      AIB   8   5.894 -12.158  -2.667
   68   HB21  AIB   8          HB21      AIB   8   3.342 -11.641  -3.925
   69   HB22  AIB   8          HB22      AIB   8   2.330 -11.332  -2.516
   70   HB23  AIB   8          HB23      AIB   8   3.490 -12.659  -2.494
   71    H    GLY   9           HN       GLY   9   2.553 -11.458  -0.653
   72    HA2  GLY   9           HA2      GLY   9   2.687 -12.351   1.503
   73    HA3  GLY   9           HA1      GLY   9   4.367 -11.857   1.581
   74    H    CYS  10           HN       CYS  10   1.613  -9.815   0.732
   75    HA   CYS  10           HA       CYS  10   1.932  -8.463   3.317
   76    HB2  CYS  10           HB2      CYS  10   3.039  -7.246   1.421
   77    HB3  CYS  10           HB1      CYS  10   1.450  -7.047   0.702
   78    H    GLY  11           HN       GLY  11  -0.231  -7.704   0.597
   79    HA2  GLY  11           HA2      GLY  11  -2.503  -7.835   0.392
   80    HA3  GLY  11           HA1      GLY  11  -2.455  -9.130   1.572
   81    H    LYS  12           HN       LYS  12  -1.430  -5.786   2.097
   82    HA   LYS  12           HA       LYS  12  -3.298  -5.552   4.288
   83    HB2  LYS  12           HB2      LYS  12  -1.288  -3.596   3.159
   84    HB3  LYS  12           HB1      LYS  12  -2.309  -3.263   4.550
   85    HG2  LYS  12           HG2      LYS  12  -0.255  -5.456   4.360
   86    HG3  LYS  12           HG1      LYS  12  -0.064  -3.922   5.208
   87    HD2  LYS  12           HD2      LYS  12  -1.999  -4.534   6.641
   88    HD3  LYS  12           HD1      LYS  12  -2.038  -6.110   5.848
   89    HE2  LYS  12           HE2      LYS  12  -0.855  -6.247   7.968
   90    HE3  LYS  12           HE1      LYS  12   0.240  -6.555   6.621
   91    HZ1  LYS  12           HZ1      LYS  12   1.180  -5.086   8.337
   92    HZ2  LYS  12           HZ2      LYS  12  -0.019  -3.941   8.002
   93    HZ3  LYS  12           HZ3      LYS  12   1.113  -4.352   6.818
   94    H    ARG  13           HN       ARG  13  -5.074  -4.201   4.381
   95    HA   ARG  13           HA       ARG  13  -6.041  -3.332   1.739
   96    HB2  ARG  13           HB2      ARG  13  -7.622  -4.185   4.172
   97    HB3  ARG  13           HB1      ARG  13  -8.315  -3.654   2.645
   98    HG2  ARG  13           HG2      ARG  13  -7.341  -5.562   1.508
   99    HG3  ARG  13           HG1      ARG  13  -6.570  -6.082   3.010
  100    HD2  ARG  13           HD2      ARG  13  -8.827  -6.255   4.035
  101    HD3  ARG  13           HD1      ARG  13  -9.527  -5.895   2.458
  102    HE   ARG  13           HE       ARG  13  -8.109  -8.002   1.804
  103   HH11  ARG  13          HH11      ARG  13 -10.299  -9.169   4.967
  104   HH12  ARG  13          HH12      ARG  13  -9.965  -7.485   4.729
  105   HH21  ARG  13          HH21      ARG  13  -8.551 -10.220   2.115
  106   HH22  ARG  13          HH22      ARG  13  -9.489 -10.728   3.483
  107    H    PHE  14           HN       PHE  14  -6.812  -1.314   1.450
  108    HA   PHE  14           HA       PHE  14  -6.929   0.500   3.763
  109    HB2  PHE  14           HB2      PHE  14  -5.634   1.196   1.116
  110    HB3  PHE  14           HB1      PHE  14  -5.707   2.204   2.554
  111    HD1  PHE  14           HD1      PHE  14  -4.390   1.598   4.553
  112    HD2  PHE  14           HD2      PHE  14  -3.973  -0.455   0.856
  113    HE1  PHE  14           HE1      PHE  14  -2.235   0.680   5.310
  114    HE2  PHE  14           HE2      PHE  14  -1.818  -1.370   1.600
  115    HZ   PHE  14           HZ       PHE  14  -0.955  -0.810   3.850
  116    H    THR  15           HN       THR  15  -8.333   2.306   3.458
  117    HA   THR  15           HA       THR  15 -10.313   1.919   1.327
  118    HB   THR  15           HB       THR  15 -10.536   3.791   3.690
  119    HG1  THR  15           HG1      THR  15 -10.393   1.154   3.784
  120   HG21  THR  15          HG21      THR  15 -12.938   3.578   3.299
  121   HG22  THR  15          HG22      THR  15 -12.639   2.461   1.969
  122   HG23  THR  15          HG23      THR  15 -12.127   4.144   1.839
  123    H    ARG  16           HN       ARG  16  -7.607   3.712   2.024
  124    HA   ARG  16           HA       ARG  16  -8.462   5.965   0.332
  125    HB2  ARG  16           HB2      ARG  16  -6.143   5.857   2.257
  126    HB3  ARG  16           HB1      ARG  16  -6.712   7.273   1.393
  127    HG2  ARG  16           HG2      ARG  16  -8.668   7.401   2.706
  128    HG3  ARG  16           HG1      ARG  16  -8.401   5.795   3.381
  129    HD2  ARG  16           HD2      ARG  16  -6.378   6.605   4.503
  130    HD3  ARG  16           HD1      ARG  16  -6.653   8.210   3.831
  131    HE   ARG  16           HE       ARG  16  -8.910   7.902   5.125
  132   HH11  ARG  16          HH11      ARG  16  -5.673   7.028   6.156
  133   HH12  ARG  16          HH12      ARG  16  -6.022   7.242   7.840
  134   HH21  ARG  16          HH21      ARG  16  -9.355   8.213   7.342
  135   HH22  ARG  16          HH22      ARG  16  -8.115   7.916   8.515
  136    H    SER  17           HN       SER  17  -7.436   6.253  -1.574
  137    HA   SER  17           HA       SER  17  -5.643   4.258  -2.529
  138    HB2  SER  17           HB2      SER  17  -5.499   5.850  -4.526
  139    HB3  SER  17           HB1      SER  17  -7.104   5.238  -4.128
  140    HG   SER  17           HG       SER  17  -7.689   7.229  -3.917
  141    H    ASP  18           HN       ASP  18  -5.301   7.502  -1.273
  142    HA   ASP  18           HA       ASP  18  -2.536   7.753  -1.939
  143    HB2  ASP  18           HB2      ASP  18  -2.555   9.748  -0.555
  144    HB3  ASP  18           HB1      ASP  18  -3.983   9.722  -1.580
  145    H    GLU  19           HN       GLU  19  -4.327   6.441   0.731
  146    HA   GLU  19           HA       GLU  19  -2.168   6.174   2.549
  147    HB2  GLU  19           HB2      GLU  19  -4.563   5.963   3.193
  148    HB3  GLU  19           HB1      GLU  19  -4.638   4.444   2.314
  149    HG2  GLU  19           HG2      GLU  19  -4.380   3.830   4.534
  150    HG3  GLU  19           HG1      GLU  19  -2.770   3.658   3.842
  151    H    LEU  20           HN       LEU  20  -3.583   4.038   0.099
  152    HA   LEU  20           HA       LEU  20  -1.830   1.876   0.404
  153    HB2  LEU  20           HB2      LEU  20  -3.808   1.623  -0.913
  154    HB3  LEU  20           HB1      LEU  20  -3.326   2.916  -1.994
  155    HG   LEU  20           HG       LEU  20  -1.434   1.507  -2.778
  156   HD11  LEU  20          HD11      LEU  20  -1.179   0.098  -0.810
  157   HD12  LEU  20          HD12      LEU  20  -1.432  -0.877  -2.257
  158   HD13  LEU  20          HD13      LEU  20  -2.755  -0.632  -1.118
  159   HD21  LEU  20          HD21      LEU  20  -4.116   0.166  -3.066
  160   HD22  LEU  20          HD22      LEU  20  -2.754   0.071  -4.181
  161   HD23  LEU  20          HD23      LEU  20  -3.611   1.597  -3.962
  162    H    GLN  21           HN       GLN  21  -1.603   4.741  -1.685
  163    HA   GLN  21           HA       GLN  21   0.861   4.157  -2.873
  164    HB2  GLN  21           HB2      GLN  21  -0.416   6.800  -2.168
  165    HB3  GLN  21           HB1      GLN  21   1.083   6.679  -3.076
  166    HG2  GLN  21           HG2      GLN  21  -0.039   5.492  -4.851
  167    HG3  GLN  21           HG1      GLN  21  -1.540   5.475  -3.927
  168   HE21  GLN  21          HE21      GLN  21  -2.753   7.335  -3.770
  169   HE22  GLN  21          HE22      GLN  21  -2.477   8.720  -4.768
  170    H    ARG  22           HN       ARG  22   0.142   5.997   0.062
  171    HA   ARG  22           HA       ARG  22   2.727   6.585   0.890
  172    HB2  ARG  22           HB2      ARG  22   0.712   7.543   1.903
  173    HB3  ARG  22           HB1      ARG  22   0.274   5.971   2.547
  174    HG2  ARG  22           HG2      ARG  22   2.354   6.014   3.904
  175    HG3  ARG  22           HG1      ARG  22   2.627   7.666   3.341
  176    HD2  ARG  22           HD2      ARG  22   0.190   6.705   4.841
  177    HD3  ARG  22           HD1      ARG  22   1.534   7.602   5.543
  178    HE   ARG  22           HE       ARG  22   0.834   9.326   3.717
  179   HH11  ARG  22          HH11      ARG  22  -2.600   8.497   5.634
  180   HH12  ARG  22          HH12      ARG  22  -1.359   7.286   5.538
  181   HH21  ARG  22          HH21      ARG  22  -2.302  10.539   4.641
  182   HH22  ARG  22          HH22      ARG  22  -0.825  10.893   3.802
  183    H    HIS  23           HN       HIS  23   0.737   3.736   1.425
  184    HA   HIS  23           HA       HIS  23   2.506   2.402   3.163
  185    HB2  HIS  23           HB2      HIS  23   0.244   1.668   3.152
  186    HB3  HIS  23           HB1      HIS  23   0.253   1.437   1.407
  187    HD1  HIS  23           HD1      HIS  23   1.447  -0.216   4.606
  188    HD2  HIS  23           HD2      HIS  23   1.250  -0.933   0.506
  189    HE1  HIS  23           HE1      HIS  23   2.181  -2.627   4.249
  190    H    LYS  24           HN       LYS  24   2.073   2.238  -0.363
  191    HA   LYS  24           HA       LYS  24   3.826   0.141  -0.899
  192    HB2  LYS  24           HB2      LYS  24   3.104   2.565  -2.539
  193    HB3  LYS  24           HB1      LYS  24   4.159   1.300  -3.147
  194    HG2  LYS  24           HG2      LYS  24   2.369  -0.332  -2.916
  195    HG3  LYS  24           HG1      LYS  24   1.307   0.911  -2.248
  196    HD2  LYS  24           HD2      LYS  24   1.440   2.164  -4.332
  197    HD3  LYS  24           HD1      LYS  24   2.549   0.968  -4.998
  198    HE2  LYS  24           HE2      LYS  24  -0.256   0.341  -4.093
  199    HE3  LYS  24           HE1      LYS  24   0.171   0.748  -5.754
  200    HZ1  LYS  24           HZ1      LYS  24   0.048  -1.642  -5.417
  201    HZ2  LYS  24           HZ2      LYS  24   1.236  -1.561  -4.218
  202    HZ3  LYS  24           HZ3      LYS  24   1.625  -1.177  -5.817
  203    H    ARG  25           HN       ARG  25   4.503   3.428  -0.030
  204    HA   ARG  25           HA       ARG  25   7.139   3.628  -0.972
  205    HB2  ARG  25           HB2      ARG  25   5.904   4.939   1.452
  206    HB3  ARG  25           HB1      ARG  25   7.394   5.441   0.667
  207    HG2  ARG  25           HG2      ARG  25   6.112   5.925  -1.383
  208    HG3  ARG  25           HG1      ARG  25   4.629   5.500  -0.527
  209    HD2  ARG  25           HD2      ARG  25   4.829   7.874  -0.462
  210    HD3  ARG  25           HD1      ARG  25   5.191   7.268   1.152
  211    HE   ARG  25           HE       ARG  25   7.334   7.963  -0.745
  212   HH11  ARG  25          HH11      ARG  25   7.075   9.270   3.044
  213   HH12  ARG  25          HH12      ARG  25   5.817   8.274   2.397
  214   HH21  ARG  25          HH21      ARG  25   8.986   9.287   0.105
  215   HH22  ARG  25          HH22      ARG  25   8.879   9.853   1.742
  216    H    THR  26           HN       THR  26   5.831   1.797   1.631
  217    HA   THR  26           HA       THR  26   8.198   1.695   3.220
  218    HB   THR  26           HB       THR  26   7.171  -0.204   4.380
  219    HG1  THR  26           HG1      THR  26   4.898   0.036   2.697
  220   HG21  THR  26          HG21      THR  26   5.213   2.027   3.836
  221   HG22  THR  26          HG22      THR  26   6.507   2.050   5.034
  222   HG23  THR  26          HG23      THR  26   5.161   0.923   5.211
  223    H    HIS  27           HN       HIS  27   6.753  -0.485   0.813
  224    HA   HIS  27           HA       HIS  27   8.782  -2.458   0.975
  225    HB2  HIS  27           HB2      HIS  27   6.908  -1.828  -1.316
  226    HB3  HIS  27           HB1      HIS  27   7.886  -3.284  -1.176
  227    HD1  HIS  27           HD1      HIS  27   7.225  -4.811   1.088
  228    HD2  HIS  27           HD2      HIS  27   4.436  -2.073  -0.378
  229    HE1  HIS  27           HE1      HIS  27   4.951  -5.521   2.003
  230    H    THR  28           HN       THR  28   8.306   0.405  -0.990
  231    HA   THR  28           HA       THR  28  10.621  -0.104  -2.626
  232    HB   THR  28           HB       THR  28  10.136   2.243  -3.465
  233    HG1  THR  28           HG1      THR  28   7.610   2.072  -2.283
  234   HG21  THR  28          HG21      THR  28   7.913   0.199  -3.569
  235   HG22  THR  28          HG22      THR  28   9.316   0.264  -4.635
  236   HG23  THR  28          HG23      THR  28   8.111   1.550  -4.684
  237    H    GLY  29           HN       GLY  29  10.409   0.671   0.480
  238    HA2  GLY  29           HA2      GLY  29  12.698   2.531   0.397
  239    HA3  GLY  29           HA1      GLY  29  11.564   2.413   1.736
  240    H    GLU  30           HN       GLU  30  12.148  -0.637   0.582
  241    HA   GLU  30           HA       GLU  30  13.949  -1.215   2.806
  242    HB2  GLU  30           HB2      GLU  30  12.513  -3.080   0.909
  243    HB3  GLU  30           HB1      GLU  30  13.480  -3.581   2.284
  244    HG2  GLU  30           HG2      GLU  30  11.902  -2.392   3.771
  245    HG3  GLU  30           HG1      GLU  30  10.903  -2.035   2.361
  246    H    LYS  31           HN       LYS  31  15.923  -2.331   2.529
  247    HA   LYS  31           HA       LYS  31  17.019  -2.159  -0.200
  248    HB2  LYS  31           HB2      LYS  31  18.026  -0.586   1.470
  249    HB3  LYS  31           HB1      LYS  31  18.543  -1.978   2.408
  250    HG2  LYS  31           HG2      LYS  31  19.906  -2.731   0.509
  251    HG3  LYS  31           HG1      LYS  31  19.418  -1.293  -0.388
  252    HD2  LYS  31           HD2      LYS  31  20.437   0.122   1.330
  253    HD3  LYS  31           HD1      LYS  31  20.923  -1.318   2.229
  254    HE2  LYS  31           HE2      LYS  31  22.283  -2.032   0.316
  255    HE3  LYS  31           HE1      LYS  31  21.818  -0.572  -0.553
  256    HZ1  LYS  31           HZ1      LYS  31  23.360  -0.683   1.980
  257    HZ2  LYS  31           HZ2      LYS  31  22.878   0.737   1.201
  258    HZ3  LYS  31           HZ3      LYS  31  23.976  -0.307   0.452
  259    HN1  NH2  32           HN1      NH2  32  16.469  -4.233  -0.777
  260    HN2  NH2  32           HN2      NH2  32  17.172  -5.642  -0.062
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1 -15.534   1.763  -3.542
    2    H2   ARG   1           HT2      ARG   1 -14.511   2.537  -2.444
    3    H3   ARG   1           HT3      ARG   1 -15.127   1.006  -2.087
    4    HA   ARG   1           HA       ARG   1 -13.916   0.060  -3.932
    5    HB2  ARG   1           HB2      ARG   1 -13.163   2.926  -4.307
    6    HB3  ARG   1           HB1      ARG   1 -12.005   1.678  -4.747
    7    HG2  ARG   1           HG2      ARG   1 -14.818   1.850  -5.806
    8    HG3  ARG   1           HG1      ARG   1 -13.384   2.453  -6.639
    9    HD2  ARG   1           HD2      ARG   1 -13.941  -0.404  -5.854
   10    HD3  ARG   1           HD1      ARG   1 -13.976   0.262  -7.483
   11    HE   ARG   1           HE       ARG   1 -11.463   0.815  -6.694
   12   HH11  ARG   1          HH11      ARG   1 -11.978  -3.166  -6.782
   13   HH12  ARG   1          HH12      ARG   1 -13.355  -2.124  -6.634
   14   HH21  ARG   1          HH21      ARG   1  -9.865  -2.271  -6.938
   15   HH22  ARG   1          HH22      ARG   1  -9.643  -0.551  -6.894
   16    HA   PRO   2           HA       PRO   2 -11.064  -0.329  -0.475
   17    HB2  PRO   2           HB2      PRO   2 -10.617  -2.955  -0.741
   18    HB3  PRO   2           HB1      PRO   2 -12.128  -2.346  -0.051
   19    HG2  PRO   2           HG2      PRO   2 -11.577  -3.375  -2.801
   20    HG3  PRO   2           HG1      PRO   2 -12.992  -3.643  -1.768
   21    HD2  PRO   2           HD2      PRO   2 -12.874  -1.796  -3.822
   22    HD3  PRO   2           HD1      PRO   2 -13.994  -1.706  -2.448
   23    H    PHE   3           HN       PHE   3  -8.840  -0.428  -0.409
   24    HA   PHE   3           HA       PHE   3  -7.489  -0.826  -2.993
   25    HB2  PHE   3           HB2      PHE   3  -6.873   1.125  -0.770
   26    HB3  PHE   3           HB1      PHE   3  -5.792   0.811  -2.122
   27    HD1  PHE   3           HD1      PHE   3  -6.457   1.418  -4.407
   28    HD2  PHE   3           HD2      PHE   3  -8.820   2.463  -1.029
   29    HE1  PHE   3           HE1      PHE   3  -7.677   3.061  -5.774
   30    HE2  PHE   3           HE2      PHE   3 -10.045   4.102  -2.387
   31    HZ   PHE   3           HZ       PHE   3  -9.477   4.405  -4.765
   32    H    NLE   4           HN       NLE   4  -6.552  -2.750  -2.915
   33    HA   NLE   4           HA       NLE   4  -5.362  -3.632  -0.376
   34    HB2  NLE   4           HB1      NLE   4  -6.257  -5.246  -2.769
   35    HB3  NLE   4           HB2      NLE   4  -7.117  -5.098  -1.245
   36    HG2  NLE   4           HG1      NLE   4  -5.304  -6.238  -0.090
   37    HG3  NLE   4           HG2      NLE   4  -4.402  -6.353  -1.603
   38    HD2  NLE   4           HD1      NLE   4  -6.203  -7.719  -2.566
   39    HD3  NLE   4           HD2      NLE   4  -7.086  -7.619  -1.034
   40    HE1  NLE   4           HE1      NLE   4  -4.351  -8.827  -1.424
   41    HE2  NLE   4           HE2      NLE   4  -5.855  -9.720  -1.201
   42    HE3  NLE   4           HE3      NLE   4  -5.223  -8.719   0.106
   43    H    CYS   5           HN       CYS   5  -3.251  -3.769  -0.209
   44    HA   CYS   5           HA       CYS   5  -1.525  -3.350  -2.462
   45    HB2  CYS   5           HB2      CYS   5  -0.892  -2.431  -0.305
   46    HB3  CYS   5           HB1      CYS   5  -0.934  -4.032   0.418
   47    H    THR   6           HN       THR   6  -1.472  -4.973  -3.877
   48    HA   THR   6           HA       THR   6  -1.469  -7.721  -2.969
   49    HB   THR   6           HB       THR   6  -1.385  -8.149  -5.506
   50    HG1  THR   6           HG1      THR   6  -0.782  -6.204  -6.339
   51   HG21  THR   6          HG21      THR   6  -3.725  -6.654  -4.312
   52   HG22  THR   6          HG22      THR   6  -3.423  -8.386  -4.172
   53   HG23  THR   6          HG23      THR   6  -3.784  -7.679  -5.745
   54    H    TRP   7           HN       TRP   7   0.856  -6.090  -2.343
   55    HA   TRP   7           HA       TRP   7   3.028  -6.855  -3.999
   56    HB2  TRP   7           HB2      TRP   7   3.112  -4.985  -2.340
   57    HB3  TRP   7           HB1      TRP   7   3.078  -6.179  -1.053
   58    HD1  TRP   7           HD1      TRP   7   5.311  -7.580  -0.614
   59    HE1  TRP   7           HE1      TRP   7   7.755  -7.193  -1.320
   60    HE3  TRP   7           HE3      TRP   7   4.551  -4.072  -4.240
   61    HZ2  TRP   7           HZ2      TRP   7   9.172  -5.600  -3.171
   62    HZ3  TRP   7           HZ3      TRP   7   6.502  -3.165  -5.434
   63    HH2  TRP   7           HH2      TRP   7   8.761  -3.913  -4.909
   64    H    AIB   8           HN       AIB   8   4.546  -8.485  -3.658
   65   HB11  AIB   8          HB11      AIB   8   6.436 -10.024  -2.859
   66   HB12  AIB   8          HB12      AIB   8   5.706 -10.521  -4.385
   67   HB13  AIB   8          HB13      AIB   8   5.977 -11.707  -3.108
   68   HB21  AIB   8          HB21      AIB   8   3.442 -11.217  -4.507
   69   HB22  AIB   8          HB22      AIB   8   2.353 -11.091  -3.129
   70   HB23  AIB   8          HB23      AIB   8   3.588 -12.350  -3.161
   71    H    GLY   9           HN       GLY   9   2.509 -11.405  -1.288
   72    HA2  GLY   9           HA2      GLY   9   2.534 -12.416   0.798
   73    HA3  GLY   9           HA1      GLY   9   4.214 -11.947   0.980
   74    H    CYS  10           HN       CYS  10   1.820  -9.546   0.123
   75    HA   CYS  10           HA       CYS  10   2.124  -8.444   2.830
   76    HB2  CYS  10           HB2      CYS  10   2.956  -7.090   0.887
   77    HB3  CYS  10           HB1      CYS  10   1.287  -6.953   0.353
   78    H    GLY  11           HN       GLY  11  -0.367  -7.642   0.414
   79    HA2  GLY  11           HA2      GLY  11  -2.649  -7.904   0.487
   80    HA3  GLY  11           HA1      GLY  11  -2.427  -9.103   1.748
   81    H    LYS  12           HN       LYS  12  -1.285  -5.789   1.935
   82    HA   LYS  12           HA       LYS  12  -2.881  -5.317   4.304
   83    HB2  LYS  12           HB2      LYS  12  -0.421  -4.499   3.666
   84    HB3  LYS  12           HB1      LYS  12  -1.311  -3.152   2.975
   85    HG2  LYS  12           HG2      LYS  12  -0.721  -2.462   5.128
   86    HG3  LYS  12           HG1      LYS  12  -2.422  -2.915   5.245
   87    HD2  LYS  12           HD2      LYS  12  -1.862  -5.011   6.257
   88    HD3  LYS  12           HD1      LYS  12  -0.145  -4.761   5.943
   89    HE2  LYS  12           HE2      LYS  12  -0.602  -4.318   8.265
   90    HE3  LYS  12           HE1      LYS  12  -0.188  -2.810   7.453
   91    HZ1  LYS  12           HZ1      LYS  12  -2.958  -3.707   8.031
   92    HZ2  LYS  12           HZ2      LYS  12  -2.497  -2.212   7.383
   93    HZ3  LYS  12           HZ3      LYS  12  -2.087  -2.608   8.972
   94    H    ARG  13           HN       ARG  13  -4.836  -4.309   4.296
   95    HA   ARG  13           HA       ARG  13  -5.734  -3.236   1.708
   96    HB2  ARG  13           HB2      ARG  13  -7.351  -4.420   3.968
   97    HB3  ARG  13           HB1      ARG  13  -8.030  -3.746   2.494
   98    HG2  ARG  13           HG2      ARG  13  -6.800  -5.440   1.191
   99    HG3  ARG  13           HG1      ARG  13  -6.226  -6.144   2.703
  100    HD2  ARG  13           HD2      ARG  13  -8.522  -6.589   3.379
  101    HD3  ARG  13           HD1      ARG  13  -9.112  -5.841   1.898
  102    HE   ARG  13           HE       ARG  13  -7.386  -8.227   1.810
  103   HH11  ARG  13          HH11      ARG  13 -10.934  -7.849  -0.049
  104   HH12  ARG  13          HH12      ARG  13 -10.377  -6.584   0.999
  105   HH21  ARG  13          HH21      ARG  13  -8.121  -9.891   0.425
  106   HH22  ARG  13          HH22      ARG  13  -9.653  -9.732  -0.371
  107    H    PHE  14           HN       PHE  14  -6.685  -1.293   1.530
  108    HA   PHE  14           HA       PHE  14  -6.994   0.378   3.932
  109    HB2  PHE  14           HB2      PHE  14  -5.714   1.299   1.345
  110    HB3  PHE  14           HB1      PHE  14  -5.859   2.215   2.841
  111    HD1  PHE  14           HD1      PHE  14  -4.512   1.597   4.803
  112    HD2  PHE  14           HD2      PHE  14  -3.975  -0.259   1.018
  113    HE1  PHE  14           HE1      PHE  14  -2.315   0.768   5.528
  114    HE2  PHE  14           HE2      PHE  14  -1.776  -1.088   1.732
  115    HZ   PHE  14           HZ       PHE  14  -0.963  -0.606   4.008
  116    H    THR  15           HN       THR  15  -8.215   2.460   3.317
  117    HA   THR  15           HA       THR  15 -10.295   1.827   1.328
  118    HB   THR  15           HB       THR  15 -10.448   3.877   3.548
  119    HG1  THR  15           HG1      THR  15 -10.350   1.334   3.917
  120   HG21  THR  15          HG21      THR  15 -12.862   3.753   3.158
  121   HG22  THR  15          HG22      THR  15 -12.602   2.576   1.871
  122   HG23  THR  15          HG23      THR  15 -12.012   4.228   1.687
  123    H    ARG  16           HN       ARG  16  -7.585   3.724   1.845
  124    HA   ARG  16           HA       ARG  16  -8.526   5.770  -0.045
  125    HB2  ARG  16           HB2      ARG  16  -6.576   6.067   2.245
  126    HB3  ARG  16           HB1      ARG  16  -6.924   7.322   1.064
  127    HG2  ARG  16           HG2      ARG  16  -9.248   7.380   1.796
  128    HG3  ARG  16           HG1      ARG  16  -8.919   6.099   2.961
  129    HD2  ARG  16           HD2      ARG  16  -7.634   8.827   2.939
  130    HD3  ARG  16           HD1      ARG  16  -8.932   8.311   4.014
  131    HE   ARG  16           HE       ARG  16  -6.954   6.480   4.427
  132   HH11  ARG  16          HH11      ARG  16  -7.145   9.970   4.573
  133   HH12  ARG  16          HH12      ARG  16  -5.941  10.113   5.814
  134   HH21  ARG  16          HH21      ARG  16  -5.346   6.657   6.052
  135   HH22  ARG  16          HH22      ARG  16  -4.917   8.237   6.646
  136    H    SER  17           HN       SER  17  -7.366   6.105  -1.819
  137    HA   SER  17           HA       SER  17  -5.435   4.207  -2.625
  138    HB2  SER  17           HB2      SER  17  -5.223   5.780  -4.625
  139    HB3  SER  17           HB1      SER  17  -6.837   5.148  -4.305
  140    HG   SER  17           HG       SER  17  -6.046   7.690  -4.419
  141    H    ASP  18           HN       ASP  18  -5.253   7.487  -1.425
  142    HA   ASP  18           HA       ASP  18  -2.481   7.880  -1.900
  143    HB2  ASP  18           HB2      ASP  18  -3.951   9.778  -1.488
  144    HB3  ASP  18           HB1      ASP  18  -4.322   9.176   0.121
  145    H    GLU  19           HN       GLU  19  -4.334   6.498   0.706
  146    HA   GLU  19           HA       GLU  19  -2.206   6.241   2.559
  147    HB2  GLU  19           HB2      GLU  19  -4.605   6.146   3.191
  148    HB3  GLU  19           HB1      GLU  19  -4.745   4.612   2.346
  149    HG2  GLU  19           HG2      GLU  19  -3.291   3.543   3.884
  150    HG3  GLU  19           HG1      GLU  19  -2.867   5.079   4.640
  151    H    LEU  20           HN       LEU  20  -3.657   4.056   0.171
  152    HA   LEU  20           HA       LEU  20  -1.941   1.875   0.546
  153    HB2  LEU  20           HB2      LEU  20  -3.904   1.614  -0.795
  154    HB3  LEU  20           HB1      LEU  20  -3.397   2.881  -1.893
  155    HG   LEU  20           HG       LEU  20  -1.518   1.445  -2.645
  156   HD11  LEU  20          HD11      LEU  20  -2.838  -0.655  -0.935
  157   HD12  LEU  20          HD12      LEU  20  -1.269   0.095  -0.636
  158   HD13  LEU  20          HD13      LEU  20  -1.507  -0.917  -2.061
  159   HD21  LEU  20          HD21      LEU  20  -4.171   0.042  -2.906
  160   HD22  LEU  20          HD22      LEU  20  -2.820   0.013  -4.038
  161   HD23  LEU  20          HD23      LEU  20  -3.737   1.500  -3.799
  162    H    GLN  21           HN       GLN  21  -1.631   4.713  -1.567
  163    HA   GLN  21           HA       GLN  21   0.780   3.999  -2.797
  164    HB2  GLN  21           HB2      GLN  21  -0.660   5.877  -3.525
  165    HB3  GLN  21           HB1      GLN  21  -0.189   6.777  -2.091
  166    HG2  GLN  21           HG2      GLN  21   1.092   7.587  -3.916
  167    HG3  GLN  21           HG1      GLN  21   2.169   6.660  -2.874
  168   HE21  GLN  21          HE21      GLN  21   0.517   6.763  -5.923
  169   HE22  GLN  21          HE22      GLN  21   1.410   5.492  -6.679
  170    H    ARG  22           HN       ARG  22   0.215   6.019   0.066
  171    HA   ARG  22           HA       ARG  22   2.821   6.528   0.829
  172    HB2  ARG  22           HB2      ARG  22   0.841   7.526   1.893
  173    HB3  ARG  22           HB1      ARG  22   0.438   5.975   2.606
  174    HG2  ARG  22           HG2      ARG  22   2.539   6.038   3.881
  175    HG3  ARG  22           HG1      ARG  22   2.877   7.633   3.204
  176    HD2  ARG  22           HD2      ARG  22   1.913   7.915   5.384
  177    HD3  ARG  22           HD1      ARG  22   0.740   8.438   4.177
  178    HE   ARG  22           HE       ARG  22   0.336   5.713   4.877
  179   HH11  ARG  22          HH11      ARG  22  -1.539   8.549   7.017
  180   HH12  ARG  22          HH12      ARG  22  -0.200   8.984   6.006
  181   HH21  ARG  22          HH21      ARG  22  -2.243   6.355   7.120
  182   HH22  ARG  22          HH22      ARG  22  -1.424   5.136   6.194
  183    H    HIS  23           HN       HIS  23   0.738   3.831   1.785
  184    HA   HIS  23           HA       HIS  23   2.543   2.408   3.333
  185    HB2  HIS  23           HB2      HIS  23   0.294   1.694   3.411
  186    HB3  HIS  23           HB1      HIS  23   0.182   1.573   1.660
  187    HD1  HIS  23           HD1      HIS  23   1.194  -0.413   4.688
  188    HD2  HIS  23           HD2      HIS  23   1.296  -0.710   0.532
  189    HE1  HIS  23           HE1      HIS  23   1.863  -2.813   4.140
  190    H    LYS  24           HN       LYS  24   1.961   2.184  -0.176
  191    HA   LYS  24           HA       LYS  24   3.689   0.023  -0.635
  192    HB2  LYS  24           HB2      LYS  24   2.796   2.226  -2.489
  193    HB3  LYS  24           HB1      LYS  24   3.753   0.848  -3.015
  194    HG2  LYS  24           HG2      LYS  24   1.903  -0.620  -2.120
  195    HG3  LYS  24           HG1      LYS  24   0.946   0.852  -1.948
  196    HD2  LYS  24           HD2      LYS  24   2.182  -0.140  -4.512
  197    HD3  LYS  24           HD1      LYS  24   0.489  -0.323  -4.057
  198    HE2  LYS  24           HE2      LYS  24   0.206   2.086  -4.036
  199    HE3  LYS  24           HE1      LYS  24   1.918   2.312  -4.396
  200    HZ1  LYS  24           HZ1      LYS  24   0.516   2.533  -6.367
  201    HZ2  LYS  24           HZ2      LYS  24  -0.029   0.945  -6.171
  202    HZ3  LYS  24           HZ3      LYS  24   1.599   1.245  -6.517
  203    H    ARG  25           HN       ARG  25   4.353   3.383  -0.131
  204    HA   ARG  25           HA       ARG  25   6.951   3.321  -1.317
  205    HB2  ARG  25           HB2      ARG  25   5.665   5.250   0.613
  206    HB3  ARG  25           HB1      ARG  25   7.260   5.490  -0.095
  207    HG2  ARG  25           HG2      ARG  25   6.278   5.486  -2.326
  208    HG3  ARG  25           HG1      ARG  25   4.682   5.222  -1.626
  209    HD2  ARG  25           HD2      ARG  25   4.792   7.353  -0.489
  210    HD3  ARG  25           HD1      ARG  25   6.434   7.612  -1.075
  211    HE   ARG  25           HE       ARG  25   5.165   7.349  -3.375
  212   HH11  ARG  25          HH11      ARG  25   3.319  10.335  -1.419
  213   HH12  ARG  25          HH12      ARG  25   4.196   9.141  -0.522
  214   HH21  ARG  25          HH21      ARG  25   4.018   8.910  -4.555
  215   HH22  ARG  25          HH22      ARG  25   3.219  10.206  -3.723
  216    H    THR  26           HN       THR  26   5.848   1.729   1.338
  217    HA   THR  26           HA       THR  26   8.381   1.866   2.765
  218    HB   THR  26           HB       THR  26   7.461   0.207   4.292
  219    HG1  THR  26           HG1      THR  26   5.050   0.245   2.779
  220   HG21  THR  26          HG21      THR  26   5.443   2.368   3.672
  221   HG22  THR  26          HG22      THR  26   6.879   2.554   4.679
  222   HG23  THR  26          HG23      THR  26   5.575   1.482   5.192
  223    H    HIS  27           HN       HIS  27   6.789  -0.016   0.334
  224    HA   HIS  27           HA       HIS  27   8.701  -2.193   0.450
  225    HB2  HIS  27           HB2      HIS  27   6.620  -1.533  -1.656
  226    HB3  HIS  27           HB1      HIS  27   7.605  -2.988  -1.631
  227    HD1  HIS  27           HD1      HIS  27   7.165  -4.446   0.803
  228    HD2  HIS  27           HD2      HIS  27   4.197  -1.940  -0.716
  229    HE1  HIS  27           HE1      HIS  27   4.951  -5.236   1.806
  230    H    THR  28           HN       THR  28   7.848   0.418  -1.806
  231    HA   THR  28           HA       THR  28  10.282  -0.062  -3.312
  232    HB   THR  28           HB       THR  28   9.364   1.742  -4.818
  233    HG1  THR  28           HG1      THR  28   7.987   2.668  -3.138
  234   HG21  THR  28          HG21      THR  28   7.568  -0.629  -4.293
  235   HG22  THR  28          HG22      THR  28   9.022  -0.637  -5.292
  236   HG23  THR  28          HG23      THR  28   7.622   0.317  -5.780
  237    H    GLY  29           HN       GLY  29  12.102   0.870  -2.628
  238    HA2  GLY  29           HA2      GLY  29  12.054   3.350  -1.122
  239    HA3  GLY  29           HA1      GLY  29  13.478   2.410  -1.549
  240    H    GLU  30           HN       GLU  30  11.266   4.884  -2.558
  241    HA   GLU  30           HA       GLU  30  12.176   5.145  -5.230
  242    HB2  GLU  30           HB2      GLU  30  10.811   7.240  -3.535
  243    HB3  GLU  30           HB1      GLU  30  10.875   7.179  -5.289
  244    HG2  GLU  30           HG2      GLU  30   9.555   5.121  -5.261
  245    HG3  GLU  30           HG1      GLU  30   9.468   5.210  -3.503
  246    H    LYS  31           HN       LYS  31  13.113   7.185  -6.076
  247    HA   LYS  31           HA       LYS  31  14.848   8.609  -6.313
  248    HB2  LYS  31           HB2      LYS  31  13.637   9.829  -4.510
  249    HB3  LYS  31           HB1      LYS  31  14.631   8.994  -3.324
  250    HG2  LYS  31           HG2      LYS  31  16.620  10.041  -4.173
  251    HG3  LYS  31           HG1      LYS  31  15.709  10.779  -5.491
  252    HD2  LYS  31           HD2      LYS  31  14.398  12.051  -3.843
  253    HD3  LYS  31           HD1      LYS  31  15.357  11.336  -2.547
  254    HE2  LYS  31           HE2      LYS  31  17.358  12.374  -3.384
  255    HE3  LYS  31           HE1      LYS  31  16.502  12.976  -4.802
  256    HZ1  LYS  31           HZ1      LYS  31  16.806  14.691  -3.123
  257    HZ2  LYS  31           HZ2      LYS  31  15.941  13.768  -1.997
  258    HZ3  LYS  31           HZ3      LYS  31  15.165  14.372  -3.374
  259    HN1  NH2  32           HN1      NH2  32  16.174   6.897  -6.921
  260    HN2  NH2  32           HN2      NH2  32  17.478   6.360  -5.920
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1 -13.147   3.538  -2.617
    2    H2   ARG   1           HT2      ARG   1 -14.422   2.509  -2.203
    3    H3   ARG   1           HT3      ARG   1 -14.476   3.374  -3.651
    4    HA   ARG   1           HA       ARG   1 -13.929   1.068  -4.035
    5    HB2  ARG   1           HB2      ARG   1 -11.626   2.972  -4.508
    6    HB3  ARG   1           HB1      ARG   1 -11.839   1.427  -5.317
    7    HG2  ARG   1           HG2      ARG   1 -13.984   2.271  -6.241
    8    HG3  ARG   1           HG1      ARG   1 -13.613   3.845  -5.538
    9    HD2  ARG   1           HD2      ARG   1 -11.863   2.390  -7.508
   10    HD3  ARG   1           HD1      ARG   1 -13.007   3.656  -7.936
   11    HE   ARG   1           HE       ARG   1 -11.490   4.901  -6.117
   12   HH11  ARG   1          HH11      ARG   1  -9.147   3.750  -9.173
   13   HH12  ARG   1          HH12      ARG   1 -10.612   2.886  -8.836
   14   HH21  ARG   1          HH21      ARG   1  -8.542   5.553  -7.887
   15   HH22  ARG   1          HH22      ARG   1  -9.556   6.068  -6.575
   16    HA   PRO   2           HA       PRO   2 -11.396  -0.715  -0.777
   17    HB2  PRO   2           HB2      PRO   2 -11.527  -3.202  -2.286
   18    HB3  PRO   2           HB1      PRO   2 -12.211  -2.827  -0.705
   19    HG2  PRO   2           HG2      PRO   2 -13.733  -3.224  -2.916
   20    HG3  PRO   2           HG1      PRO   2 -14.217  -2.157  -1.585
   21    HD2  PRO   2           HD2      PRO   2 -13.051  -1.455  -4.252
   22    HD3  PRO   2           HD1      PRO   2 -14.329  -0.642  -3.325
   23    H    PHE   3           HN       PHE   3  -9.257  -0.510  -0.714
   24    HA   PHE   3           HA       PHE   3  -7.693  -1.121  -3.132
   25    HB2  PHE   3           HB2      PHE   3  -7.038   0.669  -0.780
   26    HB3  PHE   3           HB1      PHE   3  -5.949   0.337  -2.118
   27    HD1  PHE   3           HD1      PHE   3  -6.666   1.009  -4.443
   28    HD2  PHE   3           HD2      PHE   3  -8.645   2.353  -0.928
   29    HE1  PHE   3           HE1      PHE   3  -7.665   2.858  -5.720
   30    HE2  PHE   3           HE2      PHE   3  -9.649   4.205  -2.196
   31    HZ   PHE   3           HZ       PHE   3  -9.162   4.460  -4.596
   32    H    NLE   4           HN       NLE   4  -5.820  -2.387  -2.955
   33    HA   NLE   4           HA       NLE   4  -5.247  -3.637  -0.391
   34    HB2  NLE   4           HB1      NLE   4  -6.042  -5.235  -2.829
   35    HB3  NLE   4           HB2      NLE   4  -7.002  -5.051  -1.370
   36    HG2  NLE   4           HG1      NLE   4  -5.300  -6.223  -0.082
   37    HG3  NLE   4           HG2      NLE   4  -4.301  -6.376  -1.529
   38    HD2  NLE   4           HD1      NLE   4  -6.064  -7.707  -2.602
   39    HD3  NLE   4           HD2      NLE   4  -7.045  -7.575  -1.133
   40    HE1  NLE   4           HE1      NLE   4  -4.316  -8.843  -1.328
   41    HE2  NLE   4           HE2      NLE   4  -5.849  -9.703  -1.204
   42    HE3  NLE   4           HE3      NLE   4  -5.288  -8.706   0.138
   43    H    CYS   5           HN       CYS   5  -3.148  -3.936  -0.144
   44    HA   CYS   5           HA       CYS   5  -1.340  -3.442  -2.341
   45    HB2  CYS   5           HB2      CYS   5  -0.771  -2.508  -0.189
   46    HB3  CYS   5           HB1      CYS   5  -0.872  -4.094   0.567
   47    H    THR   6           HN       THR   6  -1.066  -5.048  -3.750
   48    HA   THR   6           HA       THR   6  -1.207  -7.808  -2.870
   49    HB   THR   6           HB       THR   6  -0.893  -8.234  -5.382
   50    HG1  THR   6           HG1      THR   6  -0.108  -6.272  -6.071
   51   HG21  THR   6          HG21      THR   6  -3.233  -7.694  -5.867
   52   HG22  THR   6          HG22      THR   6  -3.293  -6.650  -4.447
   53   HG23  THR   6          HG23      THR   6  -3.064  -8.389  -4.256
   54    H    TRP   7           HN       TRP   7   1.078  -6.203  -2.027
   55    HA   TRP   7           HA       TRP   7   3.377  -7.070  -3.476
   56    HB2  TRP   7           HB2      TRP   7   3.273  -5.086  -1.895
   57    HB3  TRP   7           HB1      TRP   7   3.255  -6.241  -0.574
   58    HD1  TRP   7           HD1      TRP   7   5.535  -7.579  -0.083
   59    HE1  TRP   7           HE1      TRP   7   7.978  -7.068  -0.711
   60    HE3  TRP   7           HE3      TRP   7   4.723  -4.080  -3.703
   61    HZ2  TRP   7           HZ2      TRP   7   9.375  -5.402  -2.507
   62    HZ3  TRP   7           HZ3      TRP   7   6.665  -3.069  -4.829
   63    HH2  TRP   7           HH2      TRP   7   8.938  -3.715  -4.242
   64    H    AIB   8           HN       AIB   8   4.848  -8.694  -2.872
   65   HB11  AIB   8          HB11      AIB   8   6.167 -11.870  -1.892
   66   HB12  AIB   8          HB12      AIB   8   6.614 -10.168  -1.769
   67   HB13  AIB   8          HB13      AIB   8   6.045 -10.821  -3.304
   68   HB21  AIB   8          HB21      AIB   8   2.573 -11.253  -2.375
   69   HB22  AIB   8          HB22      AIB   8   3.806 -12.504  -2.226
   70   HB23  AIB   8          HB23      AIB   8   3.789 -11.446  -3.635
   71    H    GLY   9           HN       GLY   9   2.591 -11.580  -0.535
   72    HA2  GLY   9           HA2      GLY   9   2.329 -12.350   1.615
   73    HA3  GLY   9           HA1      GLY   9   4.007 -11.949   1.928
   74    H    CYS  10           HN       CYS  10   1.774  -9.531   0.723
   75    HA   CYS  10           HA       CYS  10   1.892  -8.275   3.378
   76    HB2  CYS  10           HB2      CYS  10   2.925  -7.094   1.377
   77    HB3  CYS  10           HB1      CYS  10   1.284  -6.866   0.790
   78    H    GLY  11           HN       GLY  11  -0.333  -7.649   0.657
   79    HA2  GLY  11           HA2      GLY  11  -2.608  -7.855   0.500
   80    HA3  GLY  11           HA1      GLY  11  -2.511  -9.075   1.758
   81    H    LYS  12           HN       LYS  12  -1.358  -5.822   2.282
   82    HA   LYS  12           HA       LYS  12  -3.293  -5.438   4.381
   83    HB2  LYS  12           HB2      LYS  12  -0.927  -4.654   4.573
   84    HB3  LYS  12           HB1      LYS  12  -1.252  -3.476   3.307
   85    HG2  LYS  12           HG2      LYS  12  -2.817  -2.323   4.676
   86    HG3  LYS  12           HG1      LYS  12  -2.765  -3.591   5.900
   87    HD2  LYS  12           HD2      LYS  12  -0.484  -3.059   6.431
   88    HD3  LYS  12           HD1      LYS  12  -0.402  -1.905   5.102
   89    HE2  LYS  12           HE2      LYS  12  -0.685  -0.738   7.202
   90    HE3  LYS  12           HE1      LYS  12  -2.119  -0.539   6.199
   91    HZ1  LYS  12           HZ1      LYS  12  -3.212  -2.261   7.493
   92    HZ2  LYS  12           HZ2      LYS  12  -2.708  -0.994   8.485
   93    HZ3  LYS  12           HZ3      LYS  12  -1.837  -2.440   8.459
   94    H    ARG  13           HN       ARG  13  -5.126  -4.300   4.284
   95    HA   ARG  13           HA       ARG  13  -5.879  -3.309   1.625
   96    HB2  ARG  13           HB2      ARG  13  -7.552  -4.353   3.912
   97    HB3  ARG  13           HB1      ARG  13  -8.221  -3.668   2.437
   98    HG2  ARG  13           HG2      ARG  13  -7.450  -5.435   1.124
   99    HG3  ARG  13           HG1      ARG  13  -6.312  -5.974   2.361
  100    HD2  ARG  13           HD2      ARG  13  -9.313  -6.050   2.645
  101    HD3  ARG  13           HD1      ARG  13  -8.321  -7.425   2.153
  102    HE   ARG  13           HE       ARG  13  -7.167  -6.694   4.469
  103   HH11  ARG  13          HH11      ARG  13 -10.938  -7.836   5.223
  104   HH12  ARG  13          HH12      ARG  13 -10.513  -7.294   3.633
  105   HH21  ARG  13          HH21      ARG  13  -7.725  -7.397   6.549
  106   HH22  ARG  13          HH22      ARG  13  -9.351  -7.896   6.886
  107    H    PHE  14           HN       PHE  14  -6.901  -1.372   1.344
  108    HA   PHE  14           HA       PHE  14  -7.019   0.459   3.644
  109    HB2  PHE  14           HB2      PHE  14  -5.867   1.152   0.928
  110    HB3  PHE  14           HB1      PHE  14  -6.009   2.234   2.304
  111    HD1  PHE  14           HD1      PHE  14  -4.467   2.159   4.106
  112    HD2  PHE  14           HD2      PHE  14  -4.221  -0.648   0.921
  113    HE1  PHE  14           HE1      PHE  14  -2.233   1.490   4.870
  114    HE2  PHE  14           HE2      PHE  14  -1.982  -1.321   1.682
  115    HZ   PHE  14           HZ       PHE  14  -0.991  -0.250   3.657
  116    H    THR  15           HN       THR  15  -8.420   2.291   3.301
  117    HA   THR  15           HA       THR  15 -10.432   1.880   1.203
  118    HB   THR  15           HB       THR  15 -11.611   3.726   2.683
  119    HG1  THR  15           HG1      THR  15 -10.465   4.151   4.412
  120   HG21  THR  15          HG21      THR  15 -12.513   1.498   2.328
  121   HG22  THR  15          HG22      THR  15 -12.649   1.934   4.031
  122   HG23  THR  15          HG23      THR  15 -11.382   0.829   3.500
  123    H    ARG  16           HN       ARG  16  -7.731   3.636   1.921
  124    HA   ARG  16           HA       ARG  16  -8.532   5.828   0.140
  125    HB2  ARG  16           HB2      ARG  16  -6.708   5.848   2.537
  126    HB3  ARG  16           HB1      ARG  16  -6.734   7.147   1.353
  127    HG2  ARG  16           HG2      ARG  16  -9.114   6.234   2.939
  128    HG3  ARG  16           HG1      ARG  16  -8.095   7.615   3.350
  129    HD2  ARG  16           HD2      ARG  16  -9.777   7.262   0.873
  130    HD3  ARG  16           HD1      ARG  16 -10.053   8.401   2.189
  131    HE   ARG  16           HE       ARG  16  -7.488   8.798   1.016
  132   HH11  ARG  16          HH11      ARG  16 -10.901   9.382   0.484
  133   HH12  ARG  16          HH12      ARG  16 -10.635  10.785  -0.499
  134   HH21  ARG  16          HH21      ARG  16  -7.138  10.618  -0.284
  135   HH22  ARG  16          HH22      ARG  16  -8.488  11.490  -0.939
  136    H    SER  17           HN       SER  17  -7.400   6.078  -1.645
  137    HA   SER  17           HA       SER  17  -5.438   4.197  -2.415
  138    HB2  SER  17           HB2      SER  17  -5.203   5.799  -4.408
  139    HB3  SER  17           HB1      SER  17  -6.791   5.077  -4.139
  140    HG   SER  17           HG       SER  17  -6.189   7.640  -4.275
  141    H    ASP  18           HN       ASP  18  -5.306   7.455  -1.149
  142    HA   ASP  18           HA       ASP  18  -2.555   7.908  -1.649
  143    HB2  ASP  18           HB2      ASP  18  -2.732   9.731  -0.029
  144    HB3  ASP  18           HB1      ASP  18  -4.108   9.745  -1.122
  145    H    GLU  19           HN       GLU  19  -4.323   6.444   1.010
  146    HA   GLU  19           HA       GLU  19  -2.147   6.006   2.732
  147    HB2  GLU  19           HB2      GLU  19  -4.788   4.622   2.376
  148    HB3  GLU  19           HB1      GLU  19  -3.587   3.987   3.486
  149    HG2  GLU  19           HG2      GLU  19  -4.732   6.759   3.599
  150    HG3  GLU  19           HG1      GLU  19  -5.271   5.394   4.575
  151    H    LEU  20           HN       LEU  20  -3.587   3.970   0.208
  152    HA   LEU  20           HA       LEU  20  -1.829   1.808   0.422
  153    HB2  LEU  20           HB2      LEU  20  -3.841   1.617  -0.873
  154    HB3  LEU  20           HB1      LEU  20  -3.329   2.901  -1.950
  155    HG   LEU  20           HG       LEU  20  -1.470   1.445  -2.739
  156   HD11  LEU  20          HD11      LEU  20  -1.243   0.016  -0.801
  157   HD12  LEU  20          HD12      LEU  20  -1.576  -0.953  -2.235
  158   HD13  LEU  20          HD13      LEU  20  -2.857  -0.642  -1.066
  159   HD21  LEU  20          HD21      LEU  20  -3.621   1.606  -3.948
  160   HD22  LEU  20          HD22      LEU  20  -4.204   0.209  -3.043
  161   HD23  LEU  20          HD23      LEU  20  -2.839   0.039  -4.144
  162    H    GLN  21           HN       GLN  21  -1.589   4.738  -1.574
  163    HA   GLN  21           HA       GLN  21   0.785   4.024  -2.903
  164    HB2  GLN  21           HB2      GLN  21  -0.418   6.714  -2.274
  165    HB3  GLN  21           HB1      GLN  21   1.034   6.524  -3.246
  166    HG2  GLN  21           HG2      GLN  21  -0.200   5.217  -4.875
  167    HG3  GLN  21           HG1      GLN  21  -1.654   5.331  -3.885
  168   HE21  GLN  21          HE21      GLN  21  -2.787   6.323  -5.542
  169   HE22  GLN  21          HE22      GLN  21  -2.507   7.968  -5.994
  170    H    ARG  22           HN       ARG  22   0.311   6.065  -0.023
  171    HA   ARG  22           HA       ARG  22   3.015   6.521   0.511
  172    HB2  ARG  22           HB2      ARG  22   1.238   7.771   1.624
  173    HB3  ARG  22           HB1      ARG  22   0.709   6.315   2.455
  174    HG2  ARG  22           HG2      ARG  22   2.806   6.214   3.669
  175    HG3  ARG  22           HG1      ARG  22   3.401   7.625   2.794
  176    HD2  ARG  22           HD2      ARG  22   2.634   8.312   4.964
  177    HD3  ARG  22           HD1      ARG  22   1.538   8.944   3.741
  178    HE   ARG  22           HE       ARG  22   0.077   6.979   4.354
  179   HH11  ARG  22          HH11      ARG  22   1.388   7.966   8.021
  180   HH12  ARG  22          HH12      ARG  22   2.348   8.359   6.634
  181   HH21  ARG  22          HH21      ARG  22  -0.628   6.888   7.765
  182   HH22  ARG  22          HH22      ARG  22  -1.205   6.482   6.176
  183    H    HIS  23           HN       HIS  23   0.857   3.928   1.494
  184    HA   HIS  23           HA       HIS  23   2.593   2.528   3.168
  185    HB2  HIS  23           HB2      HIS  23   0.300   1.907   3.188
  186    HB3  HIS  23           HB1      HIS  23   0.276   1.660   1.446
  187    HD1  HIS  23           HD1      HIS  23   1.081  -0.104   4.659
  188    HD2  HIS  23           HD2      HIS  23   1.413  -0.705   0.547
  189    HE1  HIS  23           HE1      HIS  23   1.747  -2.548   4.319
  190    H    LYS  24           HN       LYS  24   2.055   2.245  -0.335
  191    HA   LYS  24           HA       LYS  24   3.792   0.123  -0.841
  192    HB2  LYS  24           HB2      LYS  24   2.946   2.458  -2.540
  193    HB3  LYS  24           HB1      LYS  24   4.011   1.203  -3.150
  194    HG2  LYS  24           HG2      LYS  24   2.315  -0.464  -2.870
  195    HG3  LYS  24           HG1      LYS  24   1.262   0.687  -2.044
  196    HD2  LYS  24           HD2      LYS  24   0.957   1.960  -4.027
  197    HD3  LYS  24           HD1      LYS  24   2.232   1.078  -4.865
  198    HE2  LYS  24           HE2      LYS  24  -0.291  -0.219  -3.862
  199    HE3  LYS  24           HE1      LYS  24  -0.132   0.455  -5.481
  200    HZ1  LYS  24           HZ1      LYS  24   0.295  -1.956  -5.362
  201    HZ2  LYS  24           HZ2      LYS  24   1.641  -1.655  -4.383
  202    HZ3  LYS  24           HZ3      LYS  24   1.606  -1.078  -5.970
  203    H    ARG  25           HN       ARG  25   4.453   3.475  -0.198
  204    HA   ARG  25           HA       ARG  25   7.085   3.554  -1.223
  205    HB2  ARG  25           HB2      ARG  25   5.874   5.165   1.025
  206    HB3  ARG  25           HB1      ARG  25   7.373   5.547   0.189
  207    HG2  ARG  25           HG2      ARG  25   6.145   5.839  -1.895
  208    HG3  ARG  25           HG1      ARG  25   4.640   5.445  -1.067
  209    HD2  ARG  25           HD2      ARG  25   5.066   7.388   0.451
  210    HD3  ARG  25           HD1      ARG  25   6.427   7.820  -0.580
  211    HE   ARG  25           HE       ARG  25   4.456   7.689  -2.364
  212   HH11  ARG  25          HH11      ARG  25   3.437  10.483   0.334
  213   HH12  ARG  25          HH12      ARG  25   4.602   9.268   0.757
  214   HH21  ARG  25          HH21      ARG  25   2.946   9.298  -2.927
  215   HH22  ARG  25          HH22      ARG  25   2.503  10.503  -1.756
  216    H    THR  26           HN       THR  26   5.802   1.964   1.523
  217    HA   THR  26           HA       THR  26   8.320   1.954   2.961
  218    HB   THR  26           HB       THR  26   7.253   0.557   4.618
  219    HG1  THR  26           HG1      THR  26   5.006   0.475   2.852
  220   HG21  THR  26          HG21      THR  26   5.353   2.717   3.706
  221   HG22  THR  26          HG22      THR  26   6.787   2.964   4.701
  222   HG23  THR  26          HG23      THR  26   5.435   2.018   5.324
  223    H    HIS  27           HN       HIS  27   6.957   0.210   0.411
  224    HA   HIS  27           HA       HIS  27   8.705  -2.100   0.876
  225    HB2  HIS  27           HB2      HIS  27   6.715  -1.547  -1.337
  226    HB3  HIS  27           HB1      HIS  27   7.707  -2.994  -1.230
  227    HD1  HIS  27           HD1      HIS  27   7.217  -4.355   1.254
  228    HD2  HIS  27           HD2      HIS  27   4.278  -1.925  -0.432
  229    HE1  HIS  27           HE1      HIS  27   4.983  -5.136   2.213
  230    H    THR  28           HN       THR  28   8.094   0.484  -1.457
  231    HA   THR  28           HA       THR  28  10.295  -0.225  -3.126
  232    HB   THR  28           HB       THR  28   9.782   2.033  -4.187
  233    HG1  THR  28           HG1      THR  28   7.312   2.219  -3.106
  234   HG21  THR  28          HG21      THR  28   7.689   1.233  -5.194
  235   HG22  THR  28          HG22      THR  28   7.534   0.029  -3.917
  236   HG23  THR  28          HG23      THR  28   8.872  -0.068  -5.062
  237    H    GLY  29           HN       GLY  29   9.788   2.115  -0.533
  238    HA2  GLY  29           HA2      GLY  29  12.642   2.839  -0.768
  239    HA3  GLY  29           HA1      GLY  29  11.403   4.028  -0.398
  240    H    GLU  30           HN       GLU  30  12.818   1.005   0.796
  241    HA   GLU  30           HA       GLU  30  11.877   1.476   3.484
  242    HB2  GLU  30           HB2      GLU  30  13.879  -0.535   2.424
  243    HB3  GLU  30           HB1      GLU  30  13.241  -0.507   4.059
  244    HG2  GLU  30           HG2      GLU  30  11.007  -0.942   3.218
  245    HG3  GLU  30           HG1      GLU  30  11.614  -0.928   1.565
  246    H    LYS  31           HN       LYS  31  15.028   1.399   1.866
  247    HA   LYS  31           HA       LYS  31  15.953   3.586   3.524
  248    HB2  LYS  31           HB2      LYS  31  16.478   1.450   4.780
  249    HB3  LYS  31           HB1      LYS  31  17.533   1.013   3.444
  250    HG2  LYS  31           HG2      LYS  31  18.820   3.094   3.843
  251    HG3  LYS  31           HG1      LYS  31  17.817   3.394   5.263
  252    HD2  LYS  31           HD2      LYS  31  18.546   1.195   6.163
  253    HD3  LYS  31           HD1      LYS  31  19.650   1.047   4.796
  254    HE2  LYS  31           HE2      LYS  31  19.681   3.176   6.930
  255    HE3  LYS  31           HE1      LYS  31  20.850   1.876   6.719
  256    HZ1  LYS  31           HZ1      LYS  31  21.727   3.913   5.847
  257    HZ2  LYS  31           HZ2      LYS  31  20.376   4.135   4.857
  258    HZ3  LYS  31           HZ3      LYS  31  21.436   2.854   4.563
  259    HN1  NH2  32           HN1      NH2  32  15.991   4.679   1.570
  260    HN2  NH2  32           HN2      NH2  32  17.161   4.355   0.337
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1 -13.551   3.324  -3.508
    2    H2   ARG   1           HT2      ARG   1 -14.728   2.470  -2.648
    3    H3   ARG   1           HT3      ARG   1 -14.964   2.816  -4.284
    4    HA   ARG   1           HA       ARG   1 -14.341   0.509  -3.951
    5    HB2  ARG   1           HB2      ARG   1 -12.346   2.300  -5.337
    6    HB3  ARG   1           HB1      ARG   1 -12.286   0.550  -5.450
    7    HG2  ARG   1           HG2      ARG   1 -14.714   2.132  -6.241
    8    HG3  ARG   1           HG1      ARG   1 -13.394   1.790  -7.359
    9    HD2  ARG   1           HD2      ARG   1 -15.000   0.112  -7.743
   10    HD3  ARG   1           HD1      ARG   1 -13.733  -0.652  -6.793
   11    HE   ARG   1           HE       ARG   1 -16.025   0.381  -5.327
   12   HH11  ARG   1          HH11      ARG   1 -15.335  -3.548  -5.841
   13   HH12  ARG   1          HH12      ARG   1 -14.413  -2.387  -6.744
   14   HH21  ARG   1          HH21      ARG   1 -16.946  -2.845  -4.363
   15   HH22  ARG   1          HH22      ARG   1 -17.251  -1.151  -4.147
   16    HA   PRO   2           HA       PRO   2 -11.318  -0.111  -0.726
   17    HB2  PRO   2           HB2      PRO   2 -11.141  -2.784  -0.815
   18    HB3  PRO   2           HB1      PRO   2 -12.592  -1.975  -0.210
   19    HG2  PRO   2           HG2      PRO   2 -12.087  -3.206  -2.890
   20    HG3  PRO   2           HG1      PRO   2 -13.536  -3.296  -1.871
   21    HD2  PRO   2           HD2      PRO   2 -13.262  -1.588  -4.005
   22    HD3  PRO   2           HD1      PRO   2 -14.330  -1.282  -2.623
   23    H    PHE   3           HN       PHE   3  -9.126  -0.474  -0.543
   24    HA   PHE   3           HA       PHE   3  -7.722  -1.115  -3.051
   25    HB2  PHE   3           HB2      PHE   3  -6.892   0.743  -0.810
   26    HB3  PHE   3           HB1      PHE   3  -5.887   0.328  -2.193
   27    HD1  PHE   3           HD1      PHE   3  -6.506   1.092  -4.451
   28    HD2  PHE   3           HD2      PHE   3  -8.676   2.296  -0.996
   29    HE1  PHE   3           HE1      PHE   3  -7.506   2.937  -5.729
   30    HE2  PHE   3           HE2      PHE   3  -9.688   4.141  -2.268
   31    HZ   PHE   3           HZ       PHE   3  -9.144   4.418  -4.674
   32    H    NLE   4           HN       NLE   4  -6.031  -2.547  -2.978
   33    HA   NLE   4           HA       NLE   4  -5.309  -3.679  -0.379
   34    HB2  NLE   4           HB1      NLE   4  -6.231  -5.300  -2.758
   35    HB3  NLE   4           HB2      NLE   4  -7.115  -5.092  -1.256
   36    HG2  NLE   4           HG1      NLE   4  -5.410  -6.302  -0.041
   37    HG3  NLE   4           HG2      NLE   4  -4.430  -6.435  -1.503
   38    HD2  NLE   4           HD1      NLE   4  -6.233  -7.739  -2.569
   39    HD3  NLE   4           HD2      NLE   4  -7.166  -7.643  -1.068
   40    HE1  NLE   4           HE1      NLE   4  -5.973  -9.766  -1.229
   41    HE2  NLE   4           HE2      NLE   4  -5.370  -8.800   0.117
   42    HE3  NLE   4           HE3      NLE   4  -4.444  -8.901  -1.381
   43    H    CYS   5           HN       CYS   5  -3.183  -3.959  -0.217
   44    HA   CYS   5           HA       CYS   5  -1.501  -3.490  -2.500
   45    HB2  CYS   5           HB2      CYS   5  -0.866  -2.664  -0.267
   46    HB3  CYS   5           HB1      CYS   5  -0.762  -4.325   0.307
   47    H    THR   6           HN       THR   6  -1.732  -5.105  -3.944
   48    HA   THR   6           HA       THR   6  -1.604  -7.881  -3.161
   49    HB   THR   6           HB       THR   6  -1.688  -8.208  -5.702
   50    HG1  THR   6           HG1      THR   6  -2.421  -6.282  -6.819
   51   HG21  THR   6          HG21      THR   6  -3.916  -6.680  -4.348
   52   HG22  THR   6          HG22      THR   6  -3.663  -8.424  -4.276
   53   HG23  THR   6          HG23      THR   6  -4.079  -7.655  -5.807
   54    H    TRP   7           HN       TRP   7   0.732  -6.490  -2.460
   55    HA   TRP   7           HA       TRP   7   2.733  -7.009  -4.485
   56    HB2  TRP   7           HB2      TRP   7   2.762  -4.973  -3.007
   57    HB3  TRP   7           HB1      TRP   7   3.142  -6.029  -1.660
   58    HD1  TRP   7           HD1      TRP   7   5.505  -7.608  -2.225
   59    HE1  TRP   7           HE1      TRP   7   7.748  -6.697  -3.100
   60    HE3  TRP   7           HE3      TRP   7   3.857  -3.211  -4.219
   61    HZ2  TRP   7           HZ2      TRP   7   8.690  -4.405  -4.449
   62    HZ3  TRP   7           HZ3      TRP   7   5.494  -1.709  -5.277
   63    HH2  TRP   7           HH2      TRP   7   7.857  -2.292  -5.389
   64    H    AIB   8           HN       AIB   8   2.536  -9.251  -4.615
   65   HB11  AIB   8          HB11      AIB   8   5.449 -10.035  -2.866
   66   HB12  AIB   8          HB12      AIB   8   5.293 -10.334  -4.597
   67   HB13  AIB   8          HB13      AIB   8   5.440 -11.689  -3.477
   68   HB21  AIB   8          HB21      AIB   8   3.435 -12.698  -4.312
   69   HB22  AIB   8          HB22      AIB   8   3.287 -11.393  -5.488
   70   HB23  AIB   8          HB23      AIB   8   1.932 -11.784  -4.428
   71    H    GLY   9           HN       GLY   9   1.237 -10.729  -2.351
   72    HA2  GLY   9           HA2      GLY   9   0.371 -11.983  -0.579
   73    HA3  GLY   9           HA1      GLY   9   1.991 -12.552  -0.222
   74    H    CYS  10           HN       CYS  10   1.251  -9.160  -0.576
   75    HA   CYS  10           HA       CYS  10   2.099  -8.659   2.125
   76    HB2  CYS  10           HB2      CYS  10   2.649  -7.169   0.192
   77    HB3  CYS  10           HB1      CYS  10   0.954  -6.718   0.118
   78    H    GLY  11           HN       GLY  11  -0.864  -7.769   0.325
   79    HA2  GLY  11           HA2      GLY  11  -3.037  -8.338   0.821
   80    HA3  GLY  11           HA1      GLY  11  -2.472  -9.154   2.262
   81    H    LYS  12           HN       LYS  12  -1.289  -6.019   2.308
   82    HA   LYS  12           HA       LYS  12  -3.065  -5.297   4.420
   83    HB2  LYS  12           HB2      LYS  12  -0.833  -3.855   3.016
   84    HB3  LYS  12           HB1      LYS  12  -1.886  -2.995   4.128
   85    HG2  LYS  12           HG2      LYS  12   0.066  -3.661   5.313
   86    HG3  LYS  12           HG1      LYS  12  -1.274  -4.649   5.885
   87    HD2  LYS  12           HD2      LYS  12  -0.536  -6.483   4.453
   88    HD3  LYS  12           HD1      LYS  12   0.795  -5.489   3.858
   89    HE2  LYS  12           HE2      LYS  12   1.674  -5.351   6.156
   90    HE3  LYS  12           HE1      LYS  12   0.375  -6.413   6.696
   91    HZ1  LYS  12           HZ1      LYS  12   1.228  -8.126   5.195
   92    HZ2  LYS  12           HZ2      LYS  12   2.388  -7.663   6.332
   93    HZ3  LYS  12           HZ3      LYS  12   2.503  -7.109   4.742
   94    H    ARG  13           HN       ARG  13  -4.946  -4.283   4.325
   95    HA   ARG  13           HA       ARG  13  -5.816  -3.282   1.708
   96    HB2  ARG  13           HB2      ARG  13  -7.419  -4.153   4.114
   97    HB3  ARG  13           HB1      ARG  13  -8.113  -3.517   2.630
   98    HG2  ARG  13           HG2      ARG  13  -7.162  -5.393   1.385
   99    HG3  ARG  13           HG1      ARG  13  -6.491  -6.037   2.886
  100    HD2  ARG  13           HD2      ARG  13  -8.591  -7.142   2.283
  101    HD3  ARG  13           HD1      ARG  13  -8.725  -6.274   3.808
  102    HE   ARG  13           HE       ARG  13  -9.907  -4.514   2.574
  103   HH11  ARG  13          HH11      ARG  13 -11.066  -7.444   0.083
  104   HH12  ARG  13          HH12      ARG  13  -9.666  -7.674   1.079
  105   HH21  ARG  13          HH21      ARG  13 -11.747  -4.217   1.277
  106   HH22  ARG  13          HH22      ARG  13 -12.245  -5.475   0.189
  107    H    PHE  14           HN       PHE  14  -6.732  -1.300   1.457
  108    HA   PHE  14           HA       PHE  14  -6.801   0.513   3.758
  109    HB2  PHE  14           HB2      PHE  14  -5.529   1.210   1.100
  110    HB3  PHE  14           HB1      PHE  14  -5.623   2.236   2.524
  111    HD1  PHE  14           HD1      PHE  14  -4.295   1.695   4.527
  112    HD2  PHE  14           HD2      PHE  14  -3.846  -0.437   0.877
  113    HE1  PHE  14           HE1      PHE  14  -2.136   0.818   5.310
  114    HE2  PHE  14           HE2      PHE  14  -1.681  -1.315   1.650
  115    HZ   PHE  14           HZ       PHE  14  -0.828  -0.688   3.873
  116    H    THR  15           HN       THR  15  -8.231   2.315   3.445
  117    HA   THR  15           HA       THR  15 -10.213   1.824   1.339
  118    HB   THR  15           HB       THR  15 -11.596   3.467   2.744
  119    HG1  THR  15           HG1      THR  15 -10.347   2.809   5.050
  120   HG21  THR  15          HG21      THR  15 -12.249   1.694   4.331
  121   HG22  THR  15          HG22      THR  15 -10.803   0.788   3.888
  122   HG23  THR  15          HG23      THR  15 -12.061   1.081   2.688
  123    H    ARG  16           HN       ARG  16  -7.529   3.521   1.594
  124    HA   ARG  16           HA       ARG  16  -8.558   5.704  -0.062
  125    HB2  ARG  16           HB2      ARG  16  -6.585   5.999   2.210
  126    HB3  ARG  16           HB1      ARG  16  -6.962   7.262   1.051
  127    HG2  ARG  16           HG2      ARG  16  -9.356   7.094   1.834
  128    HG3  ARG  16           HG1      ARG  16  -8.756   6.077   3.145
  129    HD2  ARG  16           HD2      ARG  16  -8.974   8.437   3.811
  130    HD3  ARG  16           HD1      ARG  16  -7.312   7.859   3.912
  131    HE   ARG  16           HE       ARG  16  -8.229   9.351   1.548
  132   HH11  ARG  16          HH11      ARG  16  -6.113   9.094   4.335
  133   HH12  ARG  16          HH12      ARG  16  -5.062  10.365   3.803
  134   HH21  ARG  16          HH21      ARG  16  -6.840  11.013   0.855
  135   HH22  ARG  16          HH22      ARG  16  -5.473  11.454   1.828
  136    H    SER  17           HN       SER  17  -7.365   6.107  -1.834
  137    HA   SER  17           HA       SER  17  -5.382   4.248  -2.622
  138    HB2  SER  17           HB2      SER  17  -5.145   5.816  -4.599
  139    HB3  SER  17           HB1      SER  17  -6.778   5.219  -4.307
  140    HG   SER  17           HG       SER  17  -5.732   7.782  -4.014
  141    H    ASP  18           HN       ASP  18  -5.293   7.501  -1.337
  142    HA   ASP  18           HA       ASP  18  -2.533   7.987  -1.699
  143    HB2  ASP  18           HB2      ASP  18  -3.991   9.832  -1.164
  144    HB3  ASP  18           HB1      ASP  18  -4.486   9.067   0.341
  145    H    GLU  19           HN       GLU  19  -4.386   6.370   0.771
  146    HA   GLU  19           HA       GLU  19  -2.285   6.051   2.645
  147    HB2  GLU  19           HB2      GLU  19  -4.809   5.815   3.032
  148    HB3  GLU  19           HB1      GLU  19  -4.649   4.212   2.340
  149    HG2  GLU  19           HG2      GLU  19  -4.602   4.031   4.709
  150    HG3  GLU  19           HG1      GLU  19  -2.988   3.678   4.089
  151    H    LEU  20           HN       LEU  20  -3.609   4.052   0.052
  152    HA   LEU  20           HA       LEU  20  -1.907   1.844   0.358
  153    HB2  LEU  20           HB2      LEU  20  -3.869   1.724  -1.043
  154    HB3  LEU  20           HB1      LEU  20  -3.241   2.973  -2.101
  155    HG   LEU  20           HG       LEU  20  -1.390   1.433  -2.745
  156   HD11  LEU  20          HD11      LEU  20  -2.972  -0.555  -1.130
  157   HD12  LEU  20          HD12      LEU  20  -1.331   0.005  -0.806
  158   HD13  LEU  20          HD13      LEU  20  -1.668  -0.965  -2.240
  159   HD21  LEU  20          HD21      LEU  20  -2.731   0.046  -4.211
  160   HD22  LEU  20          HD22      LEU  20  -3.420   1.667  -4.114
  161   HD23  LEU  20          HD23      LEU  20  -4.158   0.338  -3.220
  162    H    GLN  21           HN       GLN  21  -1.553   4.744  -1.705
  163    HA   GLN  21           HA       GLN  21   0.940   4.062  -2.794
  164    HB2  GLN  21           HB2      GLN  21  -0.335   6.745  -2.277
  165    HB3  GLN  21           HB1      GLN  21   1.214   6.574  -3.094
  166    HG2  GLN  21           HG2      GLN  21  -1.411   5.420  -4.012
  167    HG3  GLN  21           HG1      GLN  21  -0.600   6.833  -4.686
  168   HE21  GLN  21          HE21      GLN  21   1.245   6.552  -5.941
  169   HE22  GLN  21          HE22      GLN  21   1.682   5.014  -6.604
  170    H    ARG  22           HN       ARG  22   0.151   5.995   0.057
  171    HA   ARG  22           HA       ARG  22   2.652   6.618   1.019
  172    HB2  ARG  22           HB2      ARG  22   0.581   7.411   2.027
  173    HB3  ARG  22           HB1      ARG  22   0.173   5.784   2.530
  174    HG2  ARG  22           HG2      ARG  22   2.128   5.786   4.033
  175    HG3  ARG  22           HG1      ARG  22   2.440   7.463   3.570
  176    HD2  ARG  22           HD2      ARG  22   0.270   8.133   4.410
  177    HD3  ARG  22           HD1      ARG  22  -0.130   6.463   4.795
  178    HE   ARG  22           HE       ARG  22   2.243   7.366   6.118
  179   HH11  ARG  22          HH11      ARG  22  -1.321   7.560   7.962
  180   HH12  ARG  22          HH12      ARG  22  -1.249   7.239   6.256
  181   HH21  ARG  22          HH21      ARG  22   0.623   7.832   9.167
  182   HH22  ARG  22          HH22      ARG  22   2.160   7.741   8.368
  183    H    HIS  23           HN       HIS  23   0.730   3.725   1.735
  184    HA   HIS  23           HA       HIS  23   2.626   2.348   3.235
  185    HB2  HIS  23           HB2      HIS  23   0.410   1.524   3.301
  186    HB3  HIS  23           HB1      HIS  23   0.298   1.444   1.548
  187    HD1  HIS  23           HD1      HIS  23   1.591  -0.517   4.513
  188    HD2  HIS  23           HD2      HIS  23   1.360  -0.785   0.359
  189    HE1  HIS  23           HE1      HIS  23   2.289  -2.895   3.889
  190    H    LYS  24           HN       LYS  24   2.026   2.299  -0.262
  191    HA   LYS  24           HA       LYS  24   3.795   0.282  -0.982
  192    HB2  LYS  24           HB2      LYS  24   2.988   2.770  -2.482
  193    HB3  LYS  24           HB1      LYS  24   3.946   1.483  -3.194
  194    HG2  LYS  24           HG2      LYS  24   1.220   1.027  -2.017
  195    HG3  LYS  24           HG1      LYS  24   1.485   1.449  -3.707
  196    HD2  LYS  24           HD2      LYS  24   2.986  -0.556  -3.870
  197    HD3  LYS  24           HD1      LYS  24   2.451  -1.003  -2.249
  198    HE2  LYS  24           HE2      LYS  24   0.144  -1.096  -3.020
  199    HE3  LYS  24           HE1      LYS  24   0.652  -0.616  -4.636
  200    HZ1  LYS  24           HZ1      LYS  24   0.319  -2.994  -4.500
  201    HZ2  LYS  24           HZ2      LYS  24   1.438  -3.113  -3.237
  202    HZ3  LYS  24           HZ3      LYS  24   1.952  -2.652  -4.782
  203    H    ARG  25           HN       ARG  25   4.428   3.584  -0.072
  204    HA   ARG  25           HA       ARG  25   7.001   3.800  -1.199
  205    HB2  ARG  25           HB2      ARG  25   5.881   5.219   1.216
  206    HB3  ARG  25           HB1      ARG  25   7.316   5.701   0.317
  207    HG2  ARG  25           HG2      ARG  25   5.869   5.950  -1.701
  208    HG3  ARG  25           HG1      ARG  25   4.472   5.671  -0.663
  209    HD2  ARG  25           HD2      ARG  25   4.717   8.022  -0.898
  210    HD3  ARG  25           HD1      ARG  25   5.237   7.599   0.733
  211    HE   ARG  25           HE       ARG  25   7.468   7.606  -0.980
  212   HH11  ARG  25          HH11      ARG  25   6.312  11.145   0.519
  213   HH12  ARG  25          HH12      ARG  25   5.197   9.816   0.496
  214   HH21  ARG  25          HH21      ARG  25   8.934   9.355  -0.981
  215   HH22  ARG  25          HH22      ARG  25   8.440  10.886  -0.328
  216    H    THR  26           HN       THR  26   5.924   1.939   1.443
  217    HA   THR  26           HA       THR  26   8.474   1.843   2.779
  218    HB   THR  26           HB       THR  26   7.557  -0.030   4.070
  219    HG1  THR  26           HG1      THR  26   5.118   0.271   2.641
  220   HG21  THR  26          HG21      THR  26   5.587   2.240   3.771
  221   HG22  THR  26          HG22      THR  26   7.033   2.256   4.780
  222   HG23  THR  26          HG23      THR  26   5.709   1.152   5.154
  223    H    HIS  27           HN       HIS  27   6.815   0.041   0.272
  224    HA   HIS  27           HA       HIS  27   8.735  -2.094   0.159
  225    HB2  HIS  27           HB2      HIS  27   6.662  -1.168  -1.843
  226    HB3  HIS  27           HB1      HIS  27   7.677  -2.583  -2.070
  227    HD1  HIS  27           HD1      HIS  27   7.226  -4.610  -0.279
  228    HD2  HIS  27           HD2      HIS  27   4.367  -1.584  -0.537
  229    HE1  HIS  27           HE1      HIS  27   5.065  -5.562   0.692
  230    H    THR  28           HN       THR  28   8.193   0.972  -1.459
  231    HA   THR  28           HA       THR  28  10.356   0.569  -3.317
  232    HB   THR  28           HB       THR  28   9.866   3.001  -3.897
  233    HG1  THR  28           HG1      THR  28   7.396   3.076  -2.927
  234   HG21  THR  28          HG21      THR  28   8.976   1.125  -5.196
  235   HG22  THR  28          HG22      THR  28   7.798   2.434  -5.089
  236   HG23  THR  28          HG23      THR  28   7.612   0.996  -4.085
  237    H    GLY  29           HN       GLY  29  10.427   1.138  -0.134
  238    HA2  GLY  29           HA2      GLY  29  12.202   3.326   0.139
  239    HA3  GLY  29           HA1      GLY  29  11.971   2.038   1.313
  240    H    GLU  30           HN       GLU  30  12.821  -0.175   0.091
  241    HA   GLU  30           HA       GLU  30  15.625   0.402  -0.583
  242    HB2  GLU  30           HB2      GLU  30  14.341  -2.099   0.532
  243    HB3  GLU  30           HB1      GLU  30  16.001  -2.028  -0.025
  244    HG2  GLU  30           HG2      GLU  30  16.044  -1.848   2.325
  245    HG3  GLU  30           HG1      GLU  30  16.408  -0.249   1.683
  246    H    LYS  31           HN       LYS  31  12.887  -1.680  -1.411
  247    HA   LYS  31           HA       LYS  31  14.221  -2.689  -3.757
  248    HB2  LYS  31           HB2      LYS  31  12.764  -4.141  -2.399
  249    HB3  LYS  31           HB1      LYS  31  11.392  -3.108  -2.769
  250    HG2  LYS  31           HG2      LYS  31  11.336  -5.096  -4.134
  251    HG3  LYS  31           HG1      LYS  31  11.619  -3.678  -5.144
  252    HD2  LYS  31           HD2      LYS  31  14.005  -4.186  -5.202
  253    HD3  LYS  31           HD1      LYS  31  13.738  -5.589  -4.168
  254    HE2  LYS  31           HE2      LYS  31  13.932  -6.277  -6.485
  255    HE3  LYS  31           HE1      LYS  31  12.297  -6.572  -5.895
  256    HZ1  LYS  31           HZ1      LYS  31  11.577  -4.547  -6.997
  257    HZ2  LYS  31           HZ2      LYS  31  12.280  -5.611  -8.104
  258    HZ3  LYS  31           HZ3      LYS  31  13.146  -4.266  -7.561
  259    HN1  NH2  32           HN1      NH2  32  10.941  -1.392  -3.497
  260    HN2  NH2  32           HN2      NH2  32  11.019  -0.432  -4.938
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1 -14.955   3.278  -4.059
    2    H2   ARG   1           HT2      ARG   1 -13.678   3.750  -3.053
    3    H3   ARG   1           HT3      ARG   1 -14.814   2.630  -2.504
    4    HA   ARG   1           HA       ARG   1 -14.109   1.013  -4.082
    5    HB2  ARG   1           HB2      ARG   1 -12.102   1.481  -5.489
    6    HB3  ARG   1           HB1      ARG   1 -13.503   2.453  -5.922
    7    HG2  ARG   1           HG2      ARG   1 -12.560   4.342  -4.678
    8    HG3  ARG   1           HG1      ARG   1 -11.146   3.364  -4.284
    9    HD2  ARG   1           HD2      ARG   1 -10.607   3.165  -6.646
   10    HD3  ARG   1           HD1      ARG   1 -12.052   4.085  -7.069
   11    HE   ARG   1           HE       ARG   1 -10.487   5.597  -5.291
   12   HH11  ARG   1          HH11      ARG   1  -9.453   5.764  -9.162
   13   HH12  ARG   1          HH12      ARG   1 -10.437   4.451  -8.596
   14   HH21  ARG   1          HH21      ARG   1  -8.756   7.393  -7.708
   15   HH22  ARG   1          HH22      ARG   1  -9.209   7.320  -6.031
   16    HA   PRO   2           HA       PRO   2 -11.237   0.191  -0.746
   17    HB2  PRO   2           HB2      PRO   2 -11.190  -2.476  -0.958
   18    HB3  PRO   2           HB1      PRO   2 -12.600  -1.627  -0.315
   19    HG2  PRO   2           HG2      PRO   2 -12.154  -2.762  -3.045
   20    HG3  PRO   2           HG1      PRO   2 -13.607  -2.821  -2.030
   21    HD2  PRO   2           HD2      PRO   2 -13.235  -1.035  -4.089
   22    HD3  PRO   2           HD1      PRO   2 -14.303  -0.746  -2.703
   23    H    PHE   3           HN       PHE   3  -9.084  -0.413  -0.558
   24    HA   PHE   3           HA       PHE   3  -7.673  -0.972  -3.084
   25    HB2  PHE   3           HB2      PHE   3  -6.818   0.792  -0.775
   26    HB3  PHE   3           HB1      PHE   3  -5.790   0.365  -2.135
   27    HD1  PHE   3           HD1      PHE   3  -6.108   1.358  -4.294
   28    HD2  PHE   3           HD2      PHE   3  -8.698   2.301  -1.061
   29    HE1  PHE   3           HE1      PHE   3  -6.994   3.264  -5.568
   30    HE2  PHE   3           HE2      PHE   3  -9.594   4.205  -2.326
   31    HZ   PHE   3           HZ       PHE   3  -8.742   4.690  -4.585
   32    H    NLE   4           HN       NLE   4  -6.032  -2.509  -2.989
   33    HA   NLE   4           HA       NLE   4  -5.368  -3.600  -0.366
   34    HB2  NLE   4           HB1      NLE   4  -6.336  -5.335  -2.638
   35    HB3  NLE   4           HB2      NLE   4  -7.277  -4.932  -1.210
   36    HG2  NLE   4           HG1      NLE   4  -5.624  -6.071   0.195
   37    HG3  NLE   4           HG2      NLE   4  -4.694  -6.484  -1.246
   38    HD2  NLE   4           HD1      NLE   4  -6.580  -7.787  -2.100
   39    HD3  NLE   4           HD2      NLE   4  -7.528  -7.359  -0.667
   40    HE1  NLE   4           HE1      NLE   4  -4.935  -8.899  -0.684
   41    HE2  NLE   4           HE2      NLE   4  -6.542  -9.578  -0.431
   42    HE3  NLE   4           HE3      NLE   4  -5.861  -8.458   0.750
   43    H    CYS   5           HN       CYS   5  -3.290  -3.814  -0.197
   44    HA   CYS   5           HA       CYS   5  -1.565  -3.694  -2.499
   45    HB2  CYS   5           HB2      CYS   5  -0.941  -2.512  -0.457
   46    HB3  CYS   5           HB1      CYS   5  -0.961  -4.024   0.440
   47    H    THR   6           HN       THR   6  -1.773  -5.553  -3.667
   48    HA   THR   6           HA       THR   6  -1.635  -8.127  -2.344
   49    HB   THR   6           HB       THR   6  -1.772  -8.950  -4.784
   50    HG1  THR   6           HG1      THR   6  -1.314  -7.179  -5.984
   51   HG21  THR   6          HG21      THR   6  -3.666  -9.016  -3.254
   52   HG22  THR   6          HG22      THR   6  -4.201  -8.519  -4.860
   53   HG23  THR   6          HG23      THR   6  -4.013  -7.319  -3.582
   54    H    TRP   7           HN       TRP   7   0.682  -6.530  -2.069
   55    HA   TRP   7           HA       TRP   7   2.760  -7.391  -3.785
   56    HB2  TRP   7           HB2      TRP   7   2.920  -5.428  -2.253
   57    HB3  TRP   7           HB1      TRP   7   2.931  -6.530  -0.889
   58    HD1  TRP   7           HD1      TRP   7   5.163  -8.043  -0.561
   59    HE1  TRP   7           HE1      TRP   7   7.595  -7.615  -1.294
   60    HE3  TRP   7           HE3      TRP   7   4.320  -4.410  -4.043
   61    HZ2  TRP   7           HZ2      TRP   7   8.968  -5.946  -3.111
   62    HZ3  TRP   7           HZ3      TRP   7   6.246  -3.444  -5.234
   63    HH2  TRP   7           HH2      TRP   7   8.518  -4.196  -4.777
   64    H    AIB   8           HN       AIB   8   4.181  -9.077  -3.556
   65   HB11  AIB   8          HB11      AIB   8   6.141 -10.615  -2.901
   66   HB12  AIB   8          HB12      AIB   8   5.180 -11.185  -4.266
   67   HB13  AIB   8          HB13      AIB   8   5.603 -12.293  -2.961
   68   HB21  AIB   8          HB21      AIB   8   2.919 -11.858  -3.984
   69   HB22  AIB   8          HB22      AIB   8   2.036 -11.551  -2.492
   70   HB23  AIB   8          HB23      AIB   8   3.224 -12.853  -2.560
   71    H    GLY   9           HN       GLY   9   2.430 -11.622  -0.649
   72    HA2  GLY   9           HA2      GLY   9   2.811 -12.462   1.509
   73    HA3  GLY   9           HA1      GLY   9   4.460 -11.867   1.426
   74    H    CYS  10           HN       CYS  10   1.809  -9.764   0.560
   75    HA   CYS  10           HA       CYS  10   2.182  -8.399   3.138
   76    HB2  CYS  10           HB2      CYS  10   3.024  -7.148   1.173
   77    HB3  CYS  10           HB1      CYS  10   1.394  -7.133   0.516
   78    H    GLY  11           HN       GLY  11  -0.318  -7.856   0.660
   79    HA2  GLY  11           HA2      GLY  11  -2.599  -8.094   0.755
   80    HA3  GLY  11           HA1      GLY  11  -2.368  -9.226   2.077
   81    H    LYS  12           HN       LYS  12  -1.379  -5.841   1.950
   82    HA   LYS  12           HA       LYS  12  -2.921  -5.302   4.360
   83    HB2  LYS  12           HB2      LYS  12  -0.463  -4.484   3.643
   84    HB3  LYS  12           HB1      LYS  12  -1.397  -3.157   2.971
   85    HG2  LYS  12           HG2      LYS  12  -0.740  -2.466   5.112
   86    HG3  LYS  12           HG1      LYS  12  -2.443  -2.903   5.252
   87    HD2  LYS  12           HD2      LYS  12  -1.849  -5.047   6.212
   88    HD3  LYS  12           HD1      LYS  12  -0.134  -4.707   5.975
   89    HE2  LYS  12           HE2      LYS  12  -0.691  -4.309   8.276
   90    HE3  LYS  12           HE1      LYS  12  -0.360  -2.765   7.494
   91    HZ1  LYS  12           HZ1      LYS  12  -2.295  -2.574   8.873
   92    HZ2  LYS  12           HZ2      LYS  12  -3.034  -3.890   8.113
   93    HZ3  LYS  12           HZ3      LYS  12  -2.773  -2.459   7.255
   94    H    ARG  13           HN       ARG  13  -4.850  -4.235   4.338
   95    HA   ARG  13           HA       ARG  13  -5.780  -3.347   1.688
   96    HB2  ARG  13           HB2      ARG  13  -6.880  -5.368   2.792
   97    HB3  ARG  13           HB1      ARG  13  -7.557  -4.235   3.953
   98    HG2  ARG  13           HG2      ARG  13  -8.707  -3.057   2.179
   99    HG3  ARG  13           HG1      ARG  13  -7.976  -4.119   0.975
  100    HD2  ARG  13           HD2      ARG  13  -9.081  -6.041   2.174
  101    HD3  ARG  13           HD1      ARG  13  -9.966  -4.840   3.113
  102    HE   ARG  13           HE       ARG  13 -10.125  -4.791   0.177
  103   HH11  ARG  13          HH11      ARG  13 -13.283  -5.243   2.615
  104   HH12  ARG  13          HH12      ARG  13 -11.683  -5.261   3.280
  105   HH21  ARG  13          HH21      ARG  13 -12.230  -4.797  -0.697
  106   HH22  ARG  13          HH22      ARG  13 -13.597  -4.976   0.354
  107    H    PHE  14           HN       PHE  14  -6.711  -1.401   1.425
  108    HA   PHE  14           HA       PHE  14  -7.009   0.352   3.767
  109    HB2  PHE  14           HB2      PHE  14  -5.693   1.169   1.165
  110    HB3  PHE  14           HB1      PHE  14  -5.878   2.156   2.608
  111    HD1  PHE  14           HD1      PHE  14  -4.604   1.595   4.652
  112    HD2  PHE  14           HD2      PHE  14  -3.918  -0.354   0.938
  113    HE1  PHE  14           HE1      PHE  14  -2.422   0.812   5.473
  114    HE2  PHE  14           HE2      PHE  14  -1.733  -1.137   1.743
  115    HZ   PHE  14           HZ       PHE  14  -0.986  -0.556   4.017
  116    H    THR  15           HN       THR  15  -8.252   2.376   3.166
  117    HA   THR  15           HA       THR  15 -10.237   1.761   1.076
  118    HB   THR  15           HB       THR  15 -11.667   3.431   2.463
  119    HG1  THR  15           HG1      THR  15 -10.590   4.153   4.142
  120   HG21  THR  15          HG21      THR  15 -12.184   1.049   2.249
  121   HG22  THR  15          HG22      THR  15 -12.476   1.602   3.898
  122   HG23  THR  15          HG23      THR  15 -11.024   0.674   3.522
  123    H    ARG  16           HN       ARG  16  -7.627   3.621   1.614
  124    HA   ARG  16           HA       ARG  16  -8.635   5.763  -0.119
  125    HB2  ARG  16           HB2      ARG  16  -6.928   5.991   2.348
  126    HB3  ARG  16           HB1      ARG  16  -6.953   7.250   1.122
  127    HG2  ARG  16           HG2      ARG  16  -9.391   6.247   2.562
  128    HG3  ARG  16           HG1      ARG  16  -8.461   7.668   3.043
  129    HD2  ARG  16           HD2      ARG  16  -9.975   7.244   0.472
  130    HD3  ARG  16           HD1      ARG  16 -10.332   8.410   1.745
  131    HE   ARG  16           HE       ARG  16  -7.795   9.037   0.943
  132   HH11  ARG  16          HH11      ARG  16 -10.908   8.772  -0.652
  133   HH12  ARG  16          HH12      ARG  16 -10.514   9.923  -1.889
  134   HH21  ARG  16          HH21      ARG  16  -7.263  10.535  -0.695
  135   HH22  ARG  16          HH22      ARG  16  -8.444  10.926  -1.911
  136    H    SER  17           HN       SER  17  -7.364   6.359  -1.769
  137    HA   SER  17           HA       SER  17  -5.378   4.580  -2.688
  138    HB2  SER  17           HB2      SER  17  -5.062   6.465  -4.429
  139    HB3  SER  17           HB1      SER  17  -6.645   5.694  -4.339
  140    HG   SER  17           HG       SER  17  -6.151   8.242  -4.129
  141    H    ASP  18           HN       ASP  18  -5.250   7.804  -1.253
  142    HA   ASP  18           HA       ASP  18  -2.492   8.252  -1.510
  143    HB2  ASP  18           HB2      ASP  18  -4.246   9.199   0.765
  144    HB3  ASP  18           HB1      ASP  18  -2.729   9.912   0.242
  145    H    GLU  19           HN       GLU  19  -4.366   6.458   0.790
  146    HA   GLU  19           HA       GLU  19  -2.334   6.068   2.723
  147    HB2  GLU  19           HB2      GLU  19  -4.910   5.738   2.912
  148    HB3  GLU  19           HB1      GLU  19  -4.594   4.144   2.250
  149    HG2  GLU  19           HG2      GLU  19  -4.689   3.942   4.599
  150    HG3  GLU  19           HG1      GLU  19  -3.001   3.767   4.123
  151    H    LEU  20           HN       LEU  20  -3.625   4.050   0.098
  152    HA   LEU  20           HA       LEU  20  -1.856   1.904   0.373
  153    HB2  LEU  20           HB2      LEU  20  -3.843   1.734  -0.996
  154    HB3  LEU  20           HB1      LEU  20  -3.250   2.982  -2.077
  155    HG   LEU  20           HG       LEU  20  -1.362   1.458  -2.698
  156   HD11  LEU  20          HD11      LEU  20  -1.317   0.032  -0.760
  157   HD12  LEU  20          HD12      LEU  20  -1.634  -0.940  -2.198
  158   HD13  LEU  20          HD13      LEU  20  -2.951  -0.537  -1.099
  159   HD21  LEU  20          HD21      LEU  20  -2.665   0.096  -4.201
  160   HD22  LEU  20          HD22      LEU  20  -3.400   1.695  -4.075
  161   HD23  LEU  20          HD23      LEU  20  -4.108   0.327  -3.215
  162    H    GLN  21           HN       GLN  21  -1.575   4.882  -1.537
  163    HA   GLN  21           HA       GLN  21   0.830   4.256  -2.831
  164    HB2  GLN  21           HB2      GLN  21  -0.399   6.895  -2.056
  165    HB3  GLN  21           HB1      GLN  21   1.114   6.792  -2.947
  166    HG2  GLN  21           HG2      GLN  21  -1.538   5.685  -3.839
  167    HG3  GLN  21           HG1      GLN  21  -0.775   7.160  -4.431
  168   HE21  GLN  21          HE21      GLN  21  -1.558   4.733  -5.862
  169   HE22  GLN  21          HE22      GLN  21  -0.124   4.150  -6.630
  170    H    ARG  22           HN       ARG  22   0.289   6.063   0.190
  171    HA   ARG  22           HA       ARG  22   2.974   6.501   0.827
  172    HB2  ARG  22           HB2      ARG  22   1.068   7.563   2.005
  173    HB3  ARG  22           HB1      ARG  22   0.690   6.016   2.748
  174    HG2  ARG  22           HG2      ARG  22   2.862   6.018   3.870
  175    HG3  ARG  22           HG1      ARG  22   3.239   7.574   3.130
  176    HD2  ARG  22           HD2      ARG  22   1.310   8.571   4.272
  177    HD3  ARG  22           HD1      ARG  22   0.965   7.018   5.033
  178    HE   ARG  22           HE       ARG  22   3.616   7.721   5.608
  179   HH11  ARG  22          HH11      ARG  22   0.796   9.456   7.888
  180   HH12  ARG  22          HH12      ARG  22   0.373   8.819   6.330
  181   HH21  ARG  22          HH21      ARG  22   2.963   9.302   8.644
  182   HH22  ARG  22          HH22      ARG  22   4.173   8.540   7.665
  183    H    HIS  23           HN       HIS  23   0.822   3.817   1.623
  184    HA   HIS  23           HA       HIS  23   2.616   2.322   3.160
  185    HB2  HIS  23           HB2      HIS  23   0.326   1.697   3.254
  186    HB3  HIS  23           HB1      HIS  23   0.219   1.541   1.504
  187    HD1  HIS  23           HD1      HIS  23   1.277  -0.363   4.577
  188    HD2  HIS  23           HD2      HIS  23   1.253  -0.792   0.427
  189    HE1  HIS  23           HE1      HIS  23   1.911  -2.781   4.085
  190    H    LYS  24           HN       LYS  24   1.978   2.277  -0.334
  191    HA   LYS  24           HA       LYS  24   3.572   0.113  -1.042
  192    HB2  LYS  24           HB2      LYS  24   2.875   2.635  -2.527
  193    HB3  LYS  24           HB1      LYS  24   3.875   1.388  -3.253
  194    HG2  LYS  24           HG2      LYS  24   1.081   0.952  -2.217
  195    HG3  LYS  24           HG1      LYS  24   1.500   1.257  -3.905
  196    HD2  LYS  24           HD2      LYS  24   2.985  -0.763  -3.800
  197    HD3  LYS  24           HD1      LYS  24   2.301  -1.100  -2.209
  198    HE2  LYS  24           HE2      LYS  24   0.070  -1.227  -3.191
  199    HE3  LYS  24           HE1      LYS  24   0.749  -0.886  -4.782
  200    HZ1  LYS  24           HZ1      LYS  24   2.037  -2.930  -4.618
  201    HZ2  LYS  24           HZ2      LYS  24   0.382  -3.242  -4.490
  202    HZ3  LYS  24           HZ3      LYS  24   1.352  -3.261  -3.106
  203    H    ARG  25           HN       ARG  25   4.469   3.348  -0.158
  204    HA   ARG  25           HA       ARG  25   7.132   3.113  -1.204
  205    HB2  ARG  25           HB2      ARG  25   5.809   5.194   0.528
  206    HB3  ARG  25           HB1      ARG  25   7.465   5.316  -0.064
  207    HG2  ARG  25           HG2      ARG  25   6.669   5.218  -2.358
  208    HG3  ARG  25           HG1      ARG  25   5.012   5.053  -1.788
  209    HD2  ARG  25           HD2      ARG  25   5.069   7.259  -0.835
  210    HD3  ARG  25           HD1      ARG  25   6.784   7.422  -1.222
  211    HE   ARG  25           HE       ARG  25   5.858   7.036  -3.637
  212   HH11  ARG  25          HH11      ARG  25   3.656  10.073  -2.215
  213   HH12  ARG  25          HH12      ARG  25   4.429   8.988  -1.105
  214   HH21  ARG  25          HH21      ARG  25   4.835   8.441  -5.086
  215   HH22  ARG  25          HH22      ARG  25   3.880   9.760  -4.485
  216    H    THR  26           HN       THR  26   5.853   1.482   1.232
  217    HA   THR  26           HA       THR  26   8.258   1.570   2.882
  218    HB   THR  26           HB       THR  26   7.227  -0.203   4.219
  219    HG1  THR  26           HG1      THR  26   4.868  -0.019   2.663
  220   HG21  THR  26          HG21      THR  26   5.299   2.038   3.612
  221   HG22  THR  26          HG22      THR  26   6.647   2.109   4.747
  222   HG23  THR  26          HG23      THR  26   5.284   1.034   5.061
  223    H    HIS  27           HN       HIS  27   6.689  -0.361   0.416
  224    HA   HIS  27           HA       HIS  27   8.699  -2.426   0.418
  225    HB2  HIS  27           HB2      HIS  27   6.642  -1.747  -1.704
  226    HB3  HIS  27           HB1      HIS  27   7.606  -3.216  -1.640
  227    HD1  HIS  27           HD1      HIS  27   7.069  -4.732   0.677
  228    HD2  HIS  27           HD2      HIS  27   4.216  -2.001  -0.658
  229    HE1  HIS  27           HE1      HIS  27   4.835  -5.465   1.670
  230    H    THR  28           HN       THR  28   7.921   0.466  -1.402
  231    HA   THR  28           HA       THR  28  10.445   0.225  -2.887
  232    HB   THR  28           HB       THR  28   9.370   1.928  -4.437
  233    HG1  THR  28           HG1      THR  28   7.030   1.127  -3.001
  234   HG21  THR  28          HG21      THR  28   8.045  -0.772  -4.159
  235   HG22  THR  28          HG22      THR  28   9.538  -0.434  -5.034
  236   HG23  THR  28          HG23      THR  28   8.011   0.240  -5.603
  237    H    GLY  29           HN       GLY  29  10.719   1.083  -0.337
  238    HA2  GLY  29           HA2      GLY  29  11.449   3.889  -0.702
  239    HA3  GLY  29           HA1      GLY  29  10.375   3.500   0.633
  240    H    GLU  30           HN       GLU  30  12.148   4.465   1.890
  241    HA   GLU  30           HA       GLU  30  14.686   3.169   1.985
  242    HB2  GLU  30           HB2      GLU  30  13.396   5.171   3.840
  243    HB3  GLU  30           HB1      GLU  30  15.040   4.587   4.018
  244    HG2  GLU  30           HG2      GLU  30  13.946   6.108   1.667
  245    HG3  GLU  30           HG1      GLU  30  15.016   6.735   2.921
  246    H    LYS  31           HN       LYS  31  11.940   3.272   4.256
  247    HA   LYS  31           HA       LYS  31  13.034   0.872   5.540
  248    HB2  LYS  31           HB2      LYS  31  12.553   2.818   7.008
  249    HB3  LYS  31           HB1      LYS  31  10.866   2.743   6.523
  250    HG2  LYS  31           HG2      LYS  31  11.189   1.729   8.701
  251    HG3  LYS  31           HG1      LYS  31  10.667   0.526   7.521
  252    HD2  LYS  31           HD2      LYS  31  12.972  -0.243   7.274
  253    HD3  LYS  31           HD1      LYS  31  13.513   0.979   8.425
  254    HE2  LYS  31           HE2      LYS  31  11.607  -1.285   9.013
  255    HE3  LYS  31           HE1      LYS  31  13.307  -1.225   9.471
  256    HZ1  LYS  31           HZ1      LYS  31  11.207   0.662  10.397
  257    HZ2  LYS  31           HZ2      LYS  31  12.835   0.699  10.845
  258    HZ3  LYS  31           HZ3      LYS  31  11.866  -0.604  11.306
  259    HN1  NH2  32           HN1      NH2  32  12.356  -0.467   3.833
  260    HN2  NH2  32           HN2      NH2  32  10.695  -0.915   3.632
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1 -13.149   4.137  -2.278
    2    H2   ARG   1           HT2      ARG   1 -14.484   3.152  -1.951
    3    H3   ARG   1           HT3      ARG   1 -14.460   4.112  -3.342
    4    HA   ARG   1           HA       ARG   1 -14.024   1.774  -3.823
    5    HB2  ARG   1           HB2      ARG   1 -13.112   3.532  -5.290
    6    HB3  ARG   1           HB1      ARG   1 -11.681   3.642  -4.275
    7    HG2  ARG   1           HG2      ARG   1 -11.104   1.329  -4.845
    8    HG3  ARG   1           HG1      ARG   1 -12.530   1.238  -5.879
    9    HD2  ARG   1           HD2      ARG   1 -11.640   3.020  -7.284
   10    HD3  ARG   1           HD1      ARG   1 -10.231   3.160  -6.231
   11    HE   ARG   1           HE       ARG   1 -10.648   0.522  -7.340
   12   HH11  ARG   1          HH11      ARG   1  -7.913   3.036  -8.884
   13   HH12  ARG   1          HH12      ARG   1  -9.142   3.650  -7.821
   14   HH21  ARG   1          HH21      ARG   1  -7.856   0.794  -9.408
   15   HH22  ARG   1          HH22      ARG   1  -9.040  -0.287  -8.739
   16    HA   PRO   2           HA       PRO   2 -11.419  -0.232  -0.775
   17    HB2  PRO   2           HB2      PRO   2 -11.445  -2.711  -1.815
   18    HB3  PRO   2           HB1      PRO   2 -12.858  -2.029  -1.004
   19    HG2  PRO   2           HG2      PRO   2 -12.283  -2.260  -3.932
   20    HG3  PRO   2           HG1      PRO   2 -13.796  -2.575  -3.061
   21    HD2  PRO   2           HD2      PRO   2 -13.295  -0.255  -4.416
   22    HD3  PRO   2           HD1      PRO   2 -14.369  -0.351  -3.007
   23    H    PHE   3           HN       PHE   3  -9.268  -0.664  -0.609
   24    HA   PHE   3           HA       PHE   3  -7.730  -1.036  -3.090
   25    HB2  PHE   3           HB2      PHE   3  -7.059   0.787  -0.772
   26    HB3  PHE   3           HB1      PHE   3  -5.930   0.367  -2.051
   27    HD1  PHE   3           HD1      PHE   3  -6.410   1.073  -4.390
   28    HD2  PHE   3           HD2      PHE   3  -8.699   2.452  -1.081
   29    HE1  PHE   3           HE1      PHE   3  -7.273   2.923  -5.762
   30    HE2  PHE   3           HE2      PHE   3  -9.570   4.297  -2.446
   31    HZ   PHE   3           HZ       PHE   3  -8.860   4.538  -4.792
   32    H    NLE   4           HN       NLE   4  -5.981  -2.435  -2.937
   33    HA   NLE   4           HA       NLE   4  -5.296  -3.511  -0.322
   34    HB2  NLE   4           HB1      NLE   4  -6.204  -5.295  -2.585
   35    HB3  NLE   4           HB2      NLE   4  -7.159  -4.921  -1.161
   36    HG2  NLE   4           HG1      NLE   4  -5.389  -5.970   0.237
   37    HG3  NLE   4           HG2      NLE   4  -4.565  -6.446  -1.248
   38    HD2  NLE   4           HD1      NLE   4  -6.501  -7.763  -1.926
   39    HD3  NLE   4           HD2      NLE   4  -7.367  -7.261  -0.466
   40    HE1  NLE   4           HE1      NLE   4  -4.802  -8.843  -0.552
   41    HE2  NLE   4           HE2      NLE   4  -6.403  -9.482  -0.182
   42    HE3  NLE   4           HE3      NLE   4  -5.641  -8.326   0.910
   43    H    CYS   5           HN       CYS   5  -3.225  -4.025  -0.159
   44    HA   CYS   5           HA       CYS   5  -1.486  -3.646  -2.436
   45    HB2  CYS   5           HB2      CYS   5  -0.825  -2.671  -0.318
   46    HB3  CYS   5           HB1      CYS   5  -0.926  -4.241   0.468
   47    H    THR   6           HN       THR   6  -1.569  -5.329  -3.792
   48    HA   THR   6           HA       THR   6  -1.696  -8.051  -2.836
   49    HB   THR   6           HB       THR   6  -1.313  -7.197  -5.701
   50    HG1  THR   6           HG1      THR   6  -3.847  -7.442  -4.426
   51   HG21  THR   6          HG21      THR   6  -1.226  -9.600  -5.222
   52   HG22  THR   6          HG22      THR   6  -2.667  -9.194  -6.155
   53   HG23  THR   6          HG23      THR   6  -2.796  -9.502  -4.423
   54    H    TRP   7           HN       TRP   7   0.696  -6.445  -2.230
   55    HA   TRP   7           HA       TRP   7   2.883  -7.379  -3.771
   56    HB2  TRP   7           HB2      TRP   7   2.913  -5.413  -2.192
   57    HB3  TRP   7           HB1      TRP   7   2.888  -6.556  -0.864
   58    HD1  TRP   7           HD1      TRP   7   5.116  -8.091  -0.544
   59    HE1  TRP   7           HE1      TRP   7   7.568  -7.595  -1.154
   60    HE3  TRP   7           HE3      TRP   7   4.362  -4.274  -3.840
   61    HZ2  TRP   7           HZ2      TRP   7   8.991  -5.808  -2.811
   62    HZ3  TRP   7           HZ3      TRP   7   6.321  -3.214  -4.891
   63    HH2  TRP   7           HH2      TRP   7   8.584  -3.966  -4.387
   64    H    AIB   8           HN       AIB   8   4.200  -9.125  -3.444
   65   HB11  AIB   8          HB11      AIB   8   5.170 -11.283  -4.078
   66   HB12  AIB   8          HB12      AIB   8   5.427 -12.394  -2.733
   67   HB13  AIB   8          HB13      AIB   8   6.015 -10.735  -2.631
   68   HB21  AIB   8          HB21      AIB   8   2.993 -12.857  -2.644
   69   HB22  AIB   8          HB22      AIB   8   2.861 -11.798  -4.048
   70   HB23  AIB   8          HB23      AIB   8   1.857 -11.508  -2.629
   71    H    GLY   9           HN       GLY   9   2.123 -11.826  -0.780
   72    HA2  GLY   9           HA2      GLY   9   2.299 -12.758   1.351
   73    HA3  GLY   9           HA1      GLY   9   3.959 -12.201   1.437
   74    H    CYS  10           HN       CYS  10   1.871  -9.730   0.434
   75    HA   CYS  10           HA       CYS  10   2.049  -8.580   3.119
   76    HB2  CYS  10           HB2      CYS  10   3.013  -7.355   1.161
   77    HB3  CYS  10           HB1      CYS  10   1.377  -7.153   0.552
   78    H    GLY  11           HN       GLY  11  -0.351  -7.834   0.571
   79    HA2  GLY  11           HA2      GLY  11  -2.640  -7.971   0.602
   80    HA3  GLY  11           HA1      GLY  11  -2.485  -9.189   1.857
   81    H    LYS  12           HN       LYS  12  -1.290  -5.890   2.065
   82    HA   LYS  12           HA       LYS  12  -2.897  -5.388   4.416
   83    HB2  LYS  12           HB2      LYS  12  -0.519  -4.594   4.144
   84    HB3  LYS  12           HB1      LYS  12  -1.088  -3.487   2.906
   85    HG2  LYS  12           HG2      LYS  12  -0.914  -2.200   4.836
   86    HG3  LYS  12           HG1      LYS  12  -2.634  -2.542   4.678
   87    HD2  LYS  12           HD2      LYS  12  -2.460  -4.305   6.336
   88    HD3  LYS  12           HD1      LYS  12  -0.717  -4.052   6.448
   89    HE2  LYS  12           HE2      LYS  12  -1.160  -1.726   7.186
   90    HE3  LYS  12           HE1      LYS  12  -2.883  -2.096   7.199
   91    HZ1  LYS  12           HZ1      LYS  12  -0.835  -3.502   8.823
   92    HZ2  LYS  12           HZ2      LYS  12  -2.505  -3.753   8.885
   93    HZ3  LYS  12           HZ3      LYS  12  -1.851  -2.279   9.397
   94    H    ARG  13           HN       ARG  13  -4.764  -4.161   4.475
   95    HA   ARG  13           HA       ARG  13  -5.766  -3.374   1.823
   96    HB2  ARG  13           HB2      ARG  13  -7.276  -4.319   4.260
   97    HB3  ARG  13           HB1      ARG  13  -8.040  -3.729   2.789
   98    HG2  ARG  13           HG2      ARG  13  -6.990  -5.528   1.518
   99    HG3  ARG  13           HG1      ARG  13  -6.223  -6.121   2.993
  100    HD2  ARG  13           HD2      ARG  13  -9.194  -5.914   2.512
  101    HD3  ARG  13           HD1      ARG  13  -8.243  -7.397   2.425
  102    HE   ARG  13           HE       ARG  13  -7.827  -6.251   4.942
  103   HH11  ARG  13          HH11      ARG  13 -11.249  -8.305   4.501
  104   HH12  ARG  13          HH12      ARG  13 -10.405  -7.726   3.101
  105   HH21  ARG  13          HH21      ARG  13  -8.933  -7.002   6.793
  106   HH22  ARG  13          HH22      ARG  13 -10.409  -7.896   6.601
  107    H    PHE  14           HN       PHE  14  -6.908  -1.501   1.531
  108    HA   PHE  14           HA       PHE  14  -7.025   0.440   3.717
  109    HB2  PHE  14           HB2      PHE  14  -5.772   1.060   1.029
  110    HB3  PHE  14           HB1      PHE  14  -5.961   2.173   2.374
  111    HD1  PHE  14           HD1      PHE  14  -4.569   1.982   4.351
  112    HD2  PHE  14           HD2      PHE  14  -4.043  -0.569   0.996
  113    HE1  PHE  14           HE1      PHE  14  -2.351   1.341   5.196
  114    HE2  PHE  14           HE2      PHE  14  -1.826  -1.215   1.827
  115    HZ   PHE  14           HZ       PHE  14  -1.000  -0.285   3.968
  116    H    THR  15           HN       THR  15  -8.297   2.385   3.033
  117    HA   THR  15           HA       THR  15 -10.217   1.747   0.896
  118    HB   THR  15           HB       THR  15 -10.805   3.460   3.318
  119    HG1  THR  15           HG1      THR  15 -10.795   0.680   2.981
  120   HG21  THR  15          HG21      THR  15 -12.624   2.021   1.375
  121   HG22  THR  15          HG22      THR  15 -12.280   3.749   1.358
  122   HG23  THR  15          HG23      THR  15 -13.135   3.034   2.724
  123    H    ARG  16           HN       ARG  16  -7.684   3.655   1.751
  124    HA   ARG  16           HA       ARG  16  -8.590   5.861   0.037
  125    HB2  ARG  16           HB2      ARG  16  -6.687   5.972   2.380
  126    HB3  ARG  16           HB1      ARG  16  -7.044   7.324   1.315
  127    HG2  ARG  16           HG2      ARG  16  -9.037   5.893   3.055
  128    HG3  ARG  16           HG1      ARG  16  -8.286   7.446   3.418
  129    HD2  ARG  16           HD2      ARG  16  -9.327   8.429   1.456
  130    HD3  ARG  16           HD1      ARG  16 -10.012   6.867   1.012
  131    HE   ARG  16           HE       ARG  16 -10.962   7.318   3.526
  132   HH11  ARG  16          HH11      ARG  16 -11.042   9.093   0.518
  133   HH12  ARG  16          HH12      ARG  16 -12.559   9.860   0.859
  134   HH21  ARG  16          HH21      ARG  16 -12.963   8.310   3.982
  135   HH22  ARG  16          HH22      ARG  16 -13.653   9.422   2.841
  136    H    SER  17           HN       SER  17  -7.349   6.408  -1.639
  137    HA   SER  17           HA       SER  17  -5.501   4.477  -2.588
  138    HB2  SER  17           HB2      SER  17  -5.264   6.213  -4.480
  139    HB3  SER  17           HB1      SER  17  -6.858   5.501  -4.219
  140    HG   SER  17           HG       SER  17  -6.474   7.976  -4.378
  141    H    ASP  18           HN       ASP  18  -5.158   7.753  -1.323
  142    HA   ASP  18           HA       ASP  18  -2.366   7.955  -1.830
  143    HB2  ASP  18           HB2      ASP  18  -4.104   9.425   0.160
  144    HB3  ASP  18           HB1      ASP  18  -2.418   9.808  -0.150
  145    H    GLU  19           HN       GLU  19  -4.275   6.560   0.688
  146    HA   GLU  19           HA       GLU  19  -2.197   6.272   2.608
  147    HB2  GLU  19           HB2      GLU  19  -4.756   6.123   2.959
  148    HB3  GLU  19           HB1      GLU  19  -4.594   4.462   2.407
  149    HG2  GLU  19           HG2      GLU  19  -4.587   4.593   4.825
  150    HG3  GLU  19           HG1      GLU  19  -3.042   3.999   4.216
  151    H    LEU  20           HN       LEU  20  -3.671   4.075   0.223
  152    HA   LEU  20           HA       LEU  20  -1.904   1.930   0.545
  153    HB2  LEU  20           HB2      LEU  20  -3.881   1.648  -0.780
  154    HB3  LEU  20           HB1      LEU  20  -3.393   2.921  -1.883
  155    HG   LEU  20           HG       LEU  20  -1.474   1.489  -2.601
  156   HD11  LEU  20          HD11      LEU  20  -1.255   0.082  -0.654
  157   HD12  LEU  20          HD12      LEU  20  -1.577  -0.913  -2.074
  158   HD13  LEU  20          HD13      LEU  20  -2.865  -0.584  -0.918
  159   HD21  LEU  20          HD21      LEU  20  -4.176   0.204  -2.954
  160   HD22  LEU  20          HD22      LEU  20  -2.780   0.045  -4.018
  161   HD23  LEU  20          HD23      LEU  20  -3.596   1.601  -3.859
  162    H    GLN  21           HN       GLN  21  -1.658   4.842  -1.442
  163    HA   GLN  21           HA       GLN  21   0.721   4.249  -2.777
  164    HB2  GLN  21           HB2      GLN  21  -0.607   6.136  -3.444
  165    HB3  GLN  21           HB1      GLN  21  -0.426   6.889  -1.866
  166    HG2  GLN  21           HG2      GLN  21   1.940   7.225  -2.273
  167    HG3  GLN  21           HG1      GLN  21   1.799   6.421  -3.835
  168   HE21  GLN  21          HE21      GLN  21   0.790   7.467  -5.528
  169   HE22  GLN  21          HE22      GLN  21   0.454   9.165  -5.502
  170    H    ARG  22           HN       ARG  22   0.251   6.012   0.280
  171    HA   ARG  22           HA       ARG  22   2.910   6.406   0.977
  172    HB2  ARG  22           HB2      ARG  22   1.175   7.436   2.274
  173    HB3  ARG  22           HB1      ARG  22   0.485   5.876   2.693
  174    HG2  ARG  22           HG2      ARG  22   2.465   5.344   4.017
  175    HG3  ARG  22           HG1      ARG  22   3.171   6.904   3.592
  176    HD2  ARG  22           HD2      ARG  22   0.539   6.575   5.019
  177    HD3  ARG  22           HD1      ARG  22   2.079   6.833   5.837
  178    HE   ARG  22           HE       ARG  22   2.192   8.963   4.518
  179   HH11  ARG  22          HH11      ARG  22  -1.751   8.984   5.282
  180   HH12  ARG  22          HH12      ARG  22  -0.897   7.472   5.270
  181   HH21  ARG  22          HH21      ARG  22  -0.642  10.946   4.854
  182   HH22  ARG  22          HH22      ARG  22   1.060  10.932   4.522
  183    H    HIS  23           HN       HIS  23   0.774   3.690   1.720
  184    HA   HIS  23           HA       HIS  23   2.586   2.126   3.135
  185    HB2  HIS  23           HB2      HIS  23   0.259   1.573   3.176
  186    HB3  HIS  23           HB1      HIS  23   0.210   1.386   1.427
  187    HD1  HIS  23           HD1      HIS  23   1.087  -0.484   4.563
  188    HD2  HIS  23           HD2      HIS  23   1.342  -0.942   0.430
  189    HE1  HIS  23           HE1      HIS  23   1.753  -2.906   4.135
  190    H    LYS  24           HN       LYS  24   1.975   2.296  -0.355
  191    HA   LYS  24           HA       LYS  24   3.689   0.214  -1.122
  192    HB2  LYS  24           HB2      LYS  24   2.832   2.713  -2.573
  193    HB3  LYS  24           HB1      LYS  24   3.848   1.489  -3.316
  194    HG2  LYS  24           HG2      LYS  24   1.072   1.032  -2.242
  195    HG3  LYS  24           HG1      LYS  24   1.498   1.242  -3.940
  196    HD2  LYS  24           HD2      LYS  24   3.026  -0.748  -3.682
  197    HD3  LYS  24           HD1      LYS  24   2.290  -1.005  -2.100
  198    HE2  LYS  24           HE2      LYS  24   0.105  -1.248  -3.136
  199    HE3  LYS  24           HE1      LYS  24   0.805  -0.931  -4.722
  200    HZ1  LYS  24           HZ1      LYS  24   1.442  -3.242  -2.971
  201    HZ2  LYS  24           HZ2      LYS  24   2.152  -2.931  -4.474
  202    HZ3  LYS  24           HZ3      LYS  24   0.504  -3.290  -4.378
  203    H    ARG  25           HN       ARG  25   4.304   3.555  -0.272
  204    HA   ARG  25           HA       ARG  25   7.011   3.588  -1.169
  205    HB2  ARG  25           HB2      ARG  25   5.631   5.289   0.913
  206    HB3  ARG  25           HB1      ARG  25   7.217   5.618   0.225
  207    HG2  ARG  25           HG2      ARG  25   6.170   5.804  -2.004
  208    HG3  ARG  25           HG1      ARG  25   4.594   5.574  -1.249
  209    HD2  ARG  25           HD2      ARG  25   4.918   7.587   0.080
  210    HD3  ARG  25           HD1      ARG  25   6.518   7.811  -0.627
  211    HE   ARG  25           HE       ARG  25   4.623   7.660  -2.691
  212   HH11  ARG  25          HH11      ARG  25   5.054  11.243  -0.935
  213   HH12  ARG  25          HH12      ARG  25   5.569   9.814  -0.101
  214   HH21  ARG  25          HH21      ARG  25   3.945   9.530  -3.787
  215   HH22  ARG  25          HH22      ARG  25   4.135  11.083  -3.038
  216    H    THR  26           HN       THR  26   5.486   2.017   1.377
  217    HA   THR  26           HA       THR  26   7.768   1.926   3.139
  218    HB   THR  26           HB       THR  26   5.323   0.147   3.198
  219    HG1  THR  26           HG1      THR  26   5.527   2.822   3.597
  220   HG21  THR  26          HG21      THR  26   7.222   1.044   5.368
  221   HG22  THR  26          HG22      THR  26   7.187  -0.557   4.631
  222   HG23  THR  26          HG23      THR  26   5.817   0.002   5.589
  223    H    HIS  27           HN       HIS  27   6.577   0.163   0.392
  224    HA   HIS  27           HA       HIS  27   8.493  -2.005   0.815
  225    HB2  HIS  27           HB2      HIS  27   6.586  -1.459  -1.475
  226    HB3  HIS  27           HB1      HIS  27   7.686  -2.831  -1.413
  227    HD1  HIS  27           HD1      HIS  27   7.178  -4.559   0.712
  228    HD2  HIS  27           HD2      HIS  27   4.177  -1.899  -0.435
  229    HE1  HIS  27           HE1      HIS  27   4.983  -5.492   1.630
  230    H    THR  28           HN       THR  28   7.976   0.857  -1.116
  231    HA   THR  28           HA       THR  28  10.485   0.480  -2.548
  232    HB   THR  28           HB       THR  28   9.772   2.649  -3.679
  233    HG1  THR  28           HG1      THR  28   7.208   2.073  -2.617
  234   HG21  THR  28          HG21      THR  28   9.447   0.501  -4.765
  235   HG22  THR  28          HG22      THR  28   8.046   1.532  -5.057
  236   HG23  THR  28          HG23      THR  28   7.957   0.240  -3.859
  237    H    GLY  29           HN       GLY  29  10.607   0.885   0.269
  238    HA2  GLY  29           HA2      GLY  29  12.695   2.693   0.470
  239    HA3  GLY  29           HA1      GLY  29  11.238   3.568   0.926
  240    H    GLU  30           HN       GLU  30  13.389   3.071   2.680
  241    HA   GLU  30           HA       GLU  30  12.062   1.289   4.613
  242    HB2  GLU  30           HB2      GLU  30  15.041   1.666   4.260
  243    HB3  GLU  30           HB1      GLU  30  14.271   0.673   5.487
  244    HG2  GLU  30           HG2      GLU  30  13.375  -0.794   3.779
  245    HG3  GLU  30           HG1      GLU  30  14.070   0.222   2.518
  246    H    LYS  31           HN       LYS  31  13.325   4.347   3.896
  247    HA   LYS  31           HA       LYS  31  12.931   5.194   6.676
  248    HB2  LYS  31           HB2      LYS  31  15.247   5.960   4.890
  249    HB3  LYS  31           HB1      LYS  31  14.851   6.785   6.389
  250    HG2  LYS  31           HG2      LYS  31  15.281   4.787   7.662
  251    HG3  LYS  31           HG1      LYS  31  15.538   3.860   6.183
  252    HD2  LYS  31           HD2      LYS  31  17.662   4.466   7.217
  253    HD3  LYS  31           HD1      LYS  31  17.477   5.248   5.648
  254    HE2  LYS  31           HE2      LYS  31  16.764   7.312   6.785
  255    HE3  LYS  31           HE1      LYS  31  17.009   6.522   8.342
  256    HZ1  LYS  31           HZ1      LYS  31  19.124   6.961   6.308
  257    HZ2  LYS  31           HZ2      LYS  31  19.340   6.296   7.849
  258    HZ3  LYS  31           HZ3      LYS  31  18.891   7.916   7.683
  259    HN1  NH2  32           HN1      NH2  32  10.852   5.670   5.596
  260    HN2  NH2  32           HN2      NH2  32  10.682   7.197   4.797
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1 -15.322  -0.486  -4.333
    2    H2   ARG   1           HT2      ARG   1 -14.537   0.649  -3.358
    3    H3   ARG   1           HT3      ARG   1 -14.982  -0.850  -2.716
    4    HA   ARG   1           HA       ARG   1 -13.457  -1.963  -4.222
    5    HB2  ARG   1           HB2      ARG   1 -12.732   0.878  -4.943
    6    HB3  ARG   1           HB1      ARG   1 -11.765  -0.524  -5.370
    7    HG2  ARG   1           HG2      ARG   1 -13.428  -1.347  -6.828
    8    HG3  ARG   1           HG1      ARG   1 -14.628  -0.210  -6.211
    9    HD2  ARG   1           HD2      ARG   1 -12.138   0.477  -7.760
   10    HD3  ARG   1           HD1      ARG   1 -13.795   0.544  -8.359
   11    HE   ARG   1           HE       ARG   1 -14.124   2.258  -6.514
   12   HH11  ARG   1          HH11      ARG   1 -10.524   3.414  -7.882
   13   HH12  ARG   1          HH12      ARG   1 -11.057   1.783  -8.140
   14   HH21  ARG   1          HH21      ARG   1 -11.879   4.904  -6.756
   15   HH22  ARG   1          HH22      ARG   1 -13.432   4.396  -6.175
   16    HA   PRO   2           HA       PRO   2 -10.916  -1.187  -0.575
   17    HB2  PRO   2           HB2      PRO   2  -9.981  -3.685  -0.308
   18    HB3  PRO   2           HB1      PRO   2 -11.626  -3.258   0.179
   19    HG2  PRO   2           HG2      PRO   2 -10.683  -4.670  -2.276
   20    HG3  PRO   2           HG1      PRO   2 -12.127  -4.968  -1.292
   21    HD2  PRO   2           HD2      PRO   2 -12.092  -3.549  -3.674
   22    HD3  PRO   2           HD1      PRO   2 -13.355  -3.426  -2.434
   23    H    PHE   3           HN       PHE   3  -8.991  -0.253  -0.810
   24    HA   PHE   3           HA       PHE   3  -7.363  -0.842  -3.127
   25    HB2  PHE   3           HB2      PHE   3  -6.957   1.152  -0.881
   26    HB3  PHE   3           HB1      PHE   3  -5.983   1.048  -2.345
   27    HD1  PHE   3           HD1      PHE   3  -7.161   1.340  -4.577
   28    HD2  PHE   3           HD2      PHE   3  -8.902   2.435  -0.855
   29    HE1  PHE   3           HE1      PHE   3  -8.760   2.791  -5.756
   30    HE2  PHE   3           HE2      PHE   3 -10.503   3.887  -2.023
   31    HZ   PHE   3           HZ       PHE   3 -10.439   4.064  -4.479
   32    H    NLE   4           HN       NLE   4  -6.649  -2.879  -2.769
   33    HA   NLE   4           HA       NLE   4  -5.298  -3.488  -0.252
   34    HB2  NLE   4           HB1      NLE   4  -6.255  -5.302  -2.466
   35    HB3  NLE   4           HB2      NLE   4  -7.096  -4.996  -0.956
   36    HG2  NLE   4           HG1      NLE   4  -5.249  -6.033   0.277
   37    HG3  NLE   4           HG2      NLE   4  -4.429  -6.356  -1.251
   38    HD2  NLE   4           HD1      NLE   4  -6.306  -7.753  -1.971
   39    HD3  NLE   4           HD2      NLE   4  -7.134  -7.426  -0.441
   40    HE1  NLE   4           HE1      NLE   4  -5.277  -8.458   0.772
   41    HE2  NLE   4           HE2      NLE   4  -4.469  -8.796  -0.759
   42    HE3  NLE   4           HE3      NLE   4  -5.999  -9.584  -0.377
   43    H    CYS   5           HN       CYS   5  -3.209  -3.767  -0.104
   44    HA   CYS   5           HA       CYS   5  -1.504  -3.523  -2.411
   45    HB2  CYS   5           HB2      CYS   5  -0.788  -2.450  -0.379
   46    HB3  CYS   5           HB1      CYS   5  -0.950  -3.948   0.525
   47    H    THR   6           HN       THR   6  -1.576  -5.297  -3.700
   48    HA   THR   6           HA       THR   6  -1.625  -7.951  -2.557
   49    HB   THR   6           HB       THR   6  -1.552  -8.660  -4.998
   50    HG1  THR   6           HG1      THR   6  -0.715  -6.347  -5.497
   51   HG21  THR   6          HG21      THR   6  -3.638  -8.507  -3.713
   52   HG22  THR   6          HG22      THR   6  -3.881  -8.041  -5.396
   53   HG23  THR   6          HG23      THR   6  -3.776  -6.803  -4.143
   54    H    TRP   7           HN       TRP   7   0.744  -6.392  -1.990
   55    HA   TRP   7           HA       TRP   7   2.912  -7.403  -3.532
   56    HB2  TRP   7           HB2      TRP   7   3.051  -5.380  -2.061
   57    HB3  TRP   7           HB1      TRP   7   2.944  -6.441  -0.667
   58    HD1  TRP   7           HD1      TRP   7   5.092  -7.970  -0.115
   59    HE1  TRP   7           HE1      TRP   7   7.571  -7.706  -0.759
   60    HE3  TRP   7           HE3      TRP   7   4.576  -4.609  -3.916
   61    HZ2  TRP   7           HZ2      TRP   7   9.100  -6.259  -2.638
   62    HZ3  TRP   7           HZ3      TRP   7   6.594  -3.833  -5.088
   63    HH2  TRP   7           HH2      TRP   7   8.808  -4.639  -4.463
   64    H    AIB   8           HN       AIB   8   4.153  -9.187  -3.181
   65   HB11  AIB   8          HB11      AIB   8   5.864 -10.941  -2.513
   66   HB12  AIB   8          HB12      AIB   8   4.845 -11.457  -3.858
   67   HB13  AIB   8          HB13      AIB   8   5.134 -12.546  -2.502
   68   HB21  AIB   8          HB21      AIB   8   2.492 -11.767  -3.582
   69   HB22  AIB   8          HB22      AIB   8   1.680 -11.376  -2.069
   70   HB23  AIB   8          HB23      AIB   8   2.706 -12.806  -2.174
   71    H    GLY   9           HN       GLY   9   2.153 -11.801  -0.293
   72    HA2  GLY   9           HA2      GLY   9   2.562 -12.641   1.858
   73    HA3  GLY   9           HA1      GLY   9   4.169 -11.939   1.807
   74    H    CYS  10           HN       CYS  10   1.914  -9.694   0.761
   75    HA   CYS  10           HA       CYS  10   1.948  -8.441   3.414
   76    HB2  CYS  10           HB2      CYS  10   3.057  -7.227   1.561
   77    HB3  CYS  10           HB1      CYS  10   1.517  -7.152   0.720
   78    H    GLY  11           HN       GLY  11  -0.222  -7.826   0.656
   79    HA2  GLY  11           HA2      GLY  11  -2.501  -7.947   0.476
   80    HA3  GLY  11           HA1      GLY  11  -2.464  -9.148   1.756
   81    H    LYS  12           HN       LYS  12  -1.330  -5.819   2.032
   82    HA   LYS  12           HA       LYS  12  -3.104  -5.424   4.284
   83    HB2  LYS  12           HB2      LYS  12  -0.698  -4.676   4.254
   84    HB3  LYS  12           HB1      LYS  12  -1.154  -3.462   3.069
   85    HG2  LYS  12           HG2      LYS  12  -1.031  -2.473   5.255
   86    HG3  LYS  12           HG1      LYS  12  -2.701  -2.476   4.692
   87    HD2  LYS  12           HD2      LYS  12  -3.231  -4.354   6.090
   88    HD3  LYS  12           HD1      LYS  12  -1.537  -4.553   6.540
   89    HE2  LYS  12           HE2      LYS  12  -3.197  -2.112   7.150
   90    HE3  LYS  12           HE1      LYS  12  -2.920  -3.435   8.281
   91    HZ1  LYS  12           HZ1      LYS  12  -0.545  -2.977   8.162
   92    HZ2  LYS  12           HZ2      LYS  12  -1.399  -1.616   8.686
   93    HZ3  LYS  12           HZ3      LYS  12  -0.824  -1.693   7.098
   94    H    ARG  13           HN       ARG  13  -5.034  -4.447   4.180
   95    HA   ARG  13           HA       ARG  13  -5.848  -3.331   1.597
   96    HB2  ARG  13           HB2      ARG  13  -7.543  -4.151   3.960
   97    HB3  ARG  13           HB1      ARG  13  -8.141  -3.651   2.385
   98    HG2  ARG  13           HG2      ARG  13  -7.050  -5.597   1.369
   99    HG3  ARG  13           HG1      ARG  13  -6.503  -6.107   2.968
  100    HD2  ARG  13           HD2      ARG  13  -9.364  -5.802   2.066
  101    HD3  ARG  13           HD1      ARG  13  -8.509  -7.319   2.334
  102    HE   ARG  13           HE       ARG  13  -8.463  -5.710   4.672
  103   HH11  ARG  13          HH11      ARG  13 -11.561  -8.217   4.143
  104   HH12  ARG  13          HH12      ARG  13 -10.563  -7.789   2.791
  105   HH21  ARG  13          HH21      ARG  13  -9.773  -6.267   6.449
  106   HH22  ARG  13          HH22      ARG  13 -11.105  -7.356   6.229
  107    H    PHE  14           HN       PHE  14  -6.625  -1.301   1.322
  108    HA   PHE  14           HA       PHE  14  -6.901   0.426   3.685
  109    HB2  PHE  14           HB2      PHE  14  -5.579   1.220   1.079
  110    HB3  PHE  14           HB1      PHE  14  -5.799   2.246   2.491
  111    HD1  PHE  14           HD1      PHE  14  -4.496   1.876   4.512
  112    HD2  PHE  14           HD2      PHE  14  -3.849  -0.408   0.988
  113    HE1  PHE  14           HE1      PHE  14  -2.321   1.143   5.393
  114    HE2  PHE  14           HE2      PHE  14  -1.674  -1.146   1.857
  115    HZ   PHE  14           HZ       PHE  14  -0.927  -0.399   4.086
  116    H    THR  15           HN       THR  15  -8.267   2.296   3.310
  117    HA   THR  15           HA       THR  15 -10.299   1.798   1.246
  118    HB   THR  15           HB       THR  15 -10.548   3.588   3.672
  119    HG1  THR  15           HG1      THR  15 -10.117   1.315   4.170
  120   HG21  THR  15          HG21      THR  15 -12.198   3.993   1.908
  121   HG22  THR  15          HG22      THR  15 -12.959   3.265   3.325
  122   HG23  THR  15          HG23      THR  15 -12.620   2.281   1.901
  123    H    ARG  16           HN       ARG  16  -7.655   3.701   1.901
  124    HA   ARG  16           HA       ARG  16  -8.599   5.828   0.098
  125    HB2  ARG  16           HB2      ARG  16  -6.554   6.058   2.313
  126    HB3  ARG  16           HB1      ARG  16  -7.057   7.358   1.245
  127    HG2  ARG  16           HG2      ARG  16  -8.840   5.922   3.197
  128    HG3  ARG  16           HG1      ARG  16  -8.094   7.497   3.463
  129    HD2  ARG  16           HD2      ARG  16  -9.313   8.382   1.528
  130    HD3  ARG  16           HD1      ARG  16 -10.065   6.807   1.288
  131    HE   ARG  16           HE       ARG  16 -10.827   7.283   3.757
  132   HH11  ARG  16          HH11      ARG  16 -10.723   9.485   1.039
  133   HH12  ARG  16          HH12      ARG  16 -12.039  10.456   1.616
  134   HH21  ARG  16          HH21      ARG  16 -12.559   8.563   4.519
  135   HH22  ARG  16          HH22      ARG  16 -13.077   9.935   3.596
  136    H    SER  17           HN       SER  17  -7.432   6.145  -1.705
  137    HA   SER  17           HA       SER  17  -5.524   4.233  -2.514
  138    HB2  SER  17           HB2      SER  17  -6.005   6.921  -3.803
  139    HB3  SER  17           HB1      SER  17  -5.435   5.442  -4.574
  140    HG   SER  17           HG       SER  17  -7.412   4.688  -4.648
  141    H    ASP  18           HN       ASP  18  -5.223   7.553  -1.352
  142    HA   ASP  18           HA       ASP  18  -2.436   7.767  -1.869
  143    HB2  ASP  18           HB2      ASP  18  -2.520   9.712  -0.307
  144    HB3  ASP  18           HB1      ASP  18  -3.703   9.790  -1.605
  145    H    GLU  19           HN       GLU  19  -4.321   6.477   0.734
  146    HA   GLU  19           HA       GLU  19  -2.216   6.210   2.615
  147    HB2  GLU  19           HB2      GLU  19  -4.706   6.033   3.081
  148    HB3  GLU  19           HB1      GLU  19  -4.641   4.429   2.371
  149    HG2  GLU  19           HG2      GLU  19  -4.537   4.204   4.728
  150    HG3  GLU  19           HG1      GLU  19  -2.951   3.809   4.071
  151    H    LEU  20           HN       LEU  20  -3.590   4.095   0.129
  152    HA   LEU  20           HA       LEU  20  -1.874   1.902   0.499
  153    HB2  LEU  20           HB2      LEU  20  -3.865   1.674  -0.823
  154    HB3  LEU  20           HB1      LEU  20  -3.333   2.916  -1.938
  155    HG   LEU  20           HG       LEU  20  -1.512   1.435  -2.704
  156   HD11  LEU  20          HD11      LEU  20  -2.795  -0.582  -0.871
  157   HD12  LEU  20          HD12      LEU  20  -1.185   0.120  -0.698
  158   HD13  LEU  20          HD13      LEU  20  -1.548  -0.933  -2.066
  159   HD21  LEU  20          HD21      LEU  20  -4.217   0.107  -2.838
  160   HD22  LEU  20          HD22      LEU  20  -2.889  -0.071  -3.986
  161   HD23  LEU  20          HD23      LEU  20  -3.719   1.478  -3.830
  162    H    GLN  21           HN       GLN  21  -1.594   4.736  -1.634
  163    HA   GLN  21           HA       GLN  21   0.859   4.058  -2.820
  164    HB2  GLN  21           HB2      GLN  21  -0.371   6.755  -2.232
  165    HB3  GLN  21           HB1      GLN  21   1.089   6.544  -3.190
  166    HG2  GLN  21           HG2      GLN  21  -0.099   5.333  -4.865
  167    HG3  GLN  21           HG1      GLN  21  -1.552   5.274  -3.868
  168   HE21  GLN  21          HE21      GLN  21  -1.125   6.342  -6.555
  169   HE22  GLN  21          HE22      GLN  21  -1.613   7.999  -6.493
  170    H    ARG  22           HN       ARG  22   0.151   6.006   0.043
  171    HA   ARG  22           HA       ARG  22   2.699   6.603   0.935
  172    HB2  ARG  22           HB2      ARG  22   0.638   7.465   1.937
  173    HB3  ARG  22           HB1      ARG  22   0.239   5.864   2.525
  174    HG2  ARG  22           HG2      ARG  22   2.240   5.934   3.972
  175    HG3  ARG  22           HG1      ARG  22   2.535   7.588   3.425
  176    HD2  ARG  22           HD2      ARG  22   0.373   8.285   4.293
  177    HD3  ARG  22           HD1      ARG  22   0.018   6.634   4.791
  178    HE   ARG  22           HE       ARG  22   2.385   7.897   5.930
  179   HH11  ARG  22          HH11      ARG  22  -0.905   7.011   8.059
  180   HH12  ARG  22          HH12      ARG  22  -0.925   6.816   6.331
  181   HH21  ARG  22          HH21      ARG  22   0.999   7.747   9.119
  182   HH22  ARG  22          HH22      ARG  22   2.417   8.129   8.195
  183    H    HIS  23           HN       HIS  23   0.738   3.737   1.521
  184    HA   HIS  23           HA       HIS  23   2.546   2.387   3.187
  185    HB2  HIS  23           HB2      HIS  23   0.282   1.680   3.199
  186    HB3  HIS  23           HB1      HIS  23   0.258   1.476   1.453
  187    HD1  HIS  23           HD1      HIS  23   1.321  -0.286   4.618
  188    HD2  HIS  23           HD2      HIS  23   1.295  -0.870   0.492
  189    HE1  HIS  23           HE1      HIS  23   1.945  -2.726   4.219
  190    H    LYS  24           HN       LYS  24   2.035   2.251  -0.317
  191    HA   LYS  24           HA       LYS  24   3.705   0.123  -0.944
  192    HB2  LYS  24           HB2      LYS  24   3.016   2.608  -2.504
  193    HB3  LYS  24           HB1      LYS  24   3.983   1.308  -3.181
  194    HG2  LYS  24           HG2      LYS  24   1.220   0.884  -2.076
  195    HG3  LYS  24           HG1      LYS  24   1.538   1.294  -3.763
  196    HD2  LYS  24           HD2      LYS  24   2.997  -0.716  -3.910
  197    HD3  LYS  24           HD1      LYS  24   2.498  -1.146  -2.275
  198    HE2  LYS  24           HE2      LYS  24   0.190  -1.315  -2.990
  199    HE3  LYS  24           HE1      LYS  24   0.628  -0.782  -4.611
  200    HZ1  LYS  24           HZ1      LYS  24   0.373  -3.171  -4.532
  201    HZ2  LYS  24           HZ2      LYS  24   1.525  -3.291  -3.304
  202    HZ3  LYS  24           HZ3      LYS  24   1.985  -2.775  -4.846
  203    H    ARG  25           HN       ARG  25   4.526   3.374  -0.046
  204    HA   ARG  25           HA       ARG  25   7.116   3.529  -1.113
  205    HB2  ARG  25           HB2      ARG  25   6.030   4.798   1.402
  206    HB3  ARG  25           HB1      ARG  25   7.516   5.268   0.589
  207    HG2  ARG  25           HG2      ARG  25   6.241   5.932  -1.378
  208    HG3  ARG  25           HG1      ARG  25   4.745   5.440  -0.581
  209    HD2  ARG  25           HD2      ARG  25   4.954   7.813  -0.365
  210    HD3  ARG  25           HD1      ARG  25   5.241   7.092   1.218
  211    HE   ARG  25           HE       ARG  25   7.657   7.532  -0.263
  212   HH11  ARG  25          HH11      ARG  25   6.397  10.277   2.387
  213   HH12  ARG  25          HH12      ARG  25   5.296   9.059   1.825
  214   HH21  ARG  25          HH21      ARG  25   9.093   9.130   0.452
  215   HH22  ARG  25          HH22      ARG  25   8.559  10.329   1.594
  216    H    THR  26           HN       THR  26   5.931   1.588   1.443
  217    HA   THR  26           HA       THR  26   8.425   1.388   2.862
  218    HB   THR  26           HB       THR  26   7.369  -0.463   4.100
  219    HG1  THR  26           HG1      THR  26   5.014   0.035   2.579
  220   HG21  THR  26          HG21      THR  26   6.992   1.832   4.847
  221   HG22  THR  26          HG22      THR  26   5.572   0.830   5.150
  222   HG23  THR  26          HG23      THR  26   5.586   1.952   3.790
  223    H    HIS  27           HN       HIS  27   6.846  -0.342   0.259
  224    HA   HIS  27           HA       HIS  27   8.724  -2.557   0.405
  225    HB2  HIS  27           HB2      HIS  27   6.595  -1.973  -1.662
  226    HB3  HIS  27           HB1      HIS  27   7.542  -3.448  -1.561
  227    HD1  HIS  27           HD1      HIS  27   7.097  -4.790   0.911
  228    HD2  HIS  27           HD2      HIS  27   4.214  -2.176  -0.588
  229    HE1  HIS  27           HE1      HIS  27   4.865  -5.472   1.964
  230    H    THR  28           HN       THR  28   7.909   0.076  -1.843
  231    HA   THR  28           HA       THR  28  10.551  -0.004  -2.990
  232    HB   THR  28           HB       THR  28   9.465  -1.864  -4.171
  233    HG1  THR  28           HG1      THR  28  10.630  -1.173  -5.780
  234   HG21  THR  28          HG21      THR  28   7.443   0.210  -5.005
  235   HG22  THR  28          HG22      THR  28   7.149  -1.213  -4.006
  236   HG23  THR  28          HG23      THR  28   7.577  -1.400  -5.708
  237    H    GLY  29           HN       GLY  29  10.375   1.484  -5.145
  238    HA2  GLY  29           HA2      GLY  29   9.525   3.519  -6.044
  239    HA3  GLY  29           HA1      GLY  29   8.649   3.788  -4.541
  240    H    GLU  30           HN       GLU  30  10.697   3.285  -2.744
  241    HA   GLU  30           HA       GLU  30  13.029   4.815  -3.376
  242    HB2  GLU  30           HB2      GLU  30  12.693   6.565  -1.711
  243    HB3  GLU  30           HB1      GLU  30  11.430   6.633  -2.928
  244    HG2  GLU  30           HG2      GLU  30   9.882   5.543  -1.407
  245    HG3  GLU  30           HG1      GLU  30  11.151   5.423  -0.186
  246    H    LYS  31           HN       LYS  31  14.503   4.884  -1.462
  247    HA   LYS  31           HA       LYS  31  13.970   2.617   0.337
  248    HB2  LYS  31           HB2      LYS  31  16.536   3.149  -1.173
  249    HB3  LYS  31           HB1      LYS  31  16.316   1.893   0.036
  250    HG2  LYS  31           HG2      LYS  31  14.809   0.703  -1.342
  251    HG3  LYS  31           HG1      LYS  31  14.669   2.052  -2.471
  252    HD2  LYS  31           HD2      LYS  31  17.202   0.496  -1.956
  253    HD3  LYS  31           HD1      LYS  31  16.104   0.209  -3.307
  254    HE2  LYS  31           HE2      LYS  31  16.463   2.573  -4.011
  255    HE3  LYS  31           HE1      LYS  31  17.676   2.720  -2.741
  256    HZ1  LYS  31           HZ1      LYS  31  18.918   0.922  -3.808
  257    HZ2  LYS  31           HZ2      LYS  31  18.713   2.242  -4.844
  258    HZ3  LYS  31           HZ3      LYS  31  17.769   0.856  -5.047
  259    HN1  NH2  32           HN1      NH2  32  16.848   4.584  -0.089
  260    HN2  NH2  32           HN2      NH2  32  16.808   5.325   1.474