*HEADER    DNA BINDING PROTEIN                     19-JUL-19   6PV0              
*TITLE     BACKBONE-MODIFIED VARIANT OF ZINC FINGER 2 FROM THE TRANSCRIPTION     
*TITLE    2 FACTOR SP1 DNA BINDING DOMAIN: D-PRO 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 6PV0    0                                                
# Restraints file 1: wsh2030_ambig.tbl
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HB2) 1.750 0.383 0.383 weight 1.000 ! spec=NOESY, no=3, id=0, vol=6.170000e+08
    or (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HG2)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name  HE1) 1.823 0.415 0.415 weight 1.000 ! spec=NOESY, no=8, id=5, vol=4.840000e+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)
    or (segid "    " and resid    7 and name  HH2) (segid "    " and resid    7 and name  HZ2)
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HB2) 1.894 0.448 0.448 weight 1.000 ! spec=NOESY, no=15, id=12, vol=3.850000e+08
    or (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HB1)
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HB2)
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HB1)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HA) 1.936 0.469 0.469 weight 1.000 ! spec=NOESY, no=19, id=16, vol=3.370000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HA)
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HA)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HE2) 2.211 0.611 0.611 weight 1.000 ! spec=NOESY, no=42, id=39, vol=1.520000e+08
    or (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HE1)
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HE2)
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HE1)
    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   21 and name  HB2) (segid "    " and resid   21 and name  HG2) 2.263 0.640 0.640 weight 1.000 ! spec=NOESY, no=52, id=49, vol=1.320000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HG2)
    or (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HG1)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HG1)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN) 2.344 0.687 0.687 weight 1.000 ! spec=NOESY, no=74, id=71, vol=1.070000e+08
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   14 and name  HE1) 2.371 0.703 0.703 weight 1.000 ! spec=NOESY, no=85, id=82, vol=1.000000e+08
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name   HN) 2.388 0.713 0.713 weight 1.000 ! spec=NOESY, no=87, id=84, vol=9.570000e+07
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HN) 2.401 0.721 0.721 weight 1.000 ! spec=NOESY, no=91, id=88, vol=9.260000e+07
    or (segid "    " and resid   29 and name  HA2) (segid "    " and resid   29 and name   HN)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.551 0.814 0.814 weight 1.000 ! spec=NOESY, no=139, id=136, vol=6.440000e+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   27 and name   HA) (segid "    " and resid   28 and name   HN) 2.552 0.814 0.814 weight 1.000 ! spec=NOESY, no=142, id=139, vol=6.420000e+07
    or (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name   HN)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid    3 and name  HD1) 2.593 0.840 0.840 weight 1.000 ! spec=NOESY, no=159, id=156, vol=5.840000e+07
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name   HN) 2.675 0.894 0.894 weight 1.000 ! spec=NOESY, no=191, id=187, vol=4.850000e+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   19 and name   HA) (segid "    " and resid   22 and name   HN) 2.757 0.950 0.950 weight 1.000 ! spec=NOESY, no=230, id=226, vol=4.040000e+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   31 and name   HN) (segid "    " and resid   30 and name   HA) 2.764 0.955 0.955 weight 1.000 ! spec=NOESY, no=233, id=229, vol=3.980000e+07
    or (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name   HA)
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HN) 2.769 0.958 0.958 weight 1.000 ! spec=NOESY, no=237, id=233, vol=3.940000e+07
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   20 and name HD22) (segid "    " and resid    3 and name  HE1) 2.795 0.977 0.977 weight 1.000 ! spec=NOESY, no=242, id=238, vol=3.720000e+07
    or (segid "    " and resid   20 and name HD22) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   28 and name HG21) (segid "    " and resid   28 and name   HN)
    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   19 and name  HB1) (segid "    " and resid   19 and name   HN) 2.808 0.986 0.986 weight 1.000 ! spec=NOESY, no=250, id=246, vol=3.620000e+07
    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   20 and name  HB2) (segid "    " and resid    3 and name  HD1) 2.901 1.052 1.052 weight 1.000 ! spec=NOESY, no=281, id=277, vol=2.980000e+07
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid   20 and name HD22) 2.942 1.082 1.082 weight 1.000 ! spec=NOESY, no=290, id=286, vol=2.740000e+07
    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)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    4 and name  HG2)
assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    5 and name   HN) 2.943 1.083 1.083 weight 1.000 ! spec=NOESY, no=291, id=287, vol=2.730000e+07
    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   20 and name   HA) (segid "    " and resid   22 and name   HN) 2.973 1.105 1.105 weight 1.000 ! spec=NOESY, no=297, id=292, vol=2.570000e+07
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HE2) 3.001 1.126 1.126 weight 1.000 ! spec=NOESY, no=303, id=298, vol=2.430000e+07
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HE1)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid    3 and name  HB1)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   12 and name  HE2) 3.138 1.231 1.231 weight 1.000 ! spec=NOESY, no=321, id=316, vol=1.860000e+07
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   12 and name  HE1)
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   12 and name  HE2)
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   12 and name  HE1)
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   23 and name  HB2)
    or (segid "    " and resid   22 and name  HG2) (segid "    " and resid   23 and name  HB2)
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   23 and name  HB2)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name   HN) 3.238 1.311 1.311 weight 1.000 ! spec=NOESY, no=332, id=327, vol=1.540000e+07
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   31 and name   HN)
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HA) 3.570 1.593 1.593 weight 1.000 ! spec=NOESY, no=340, id=335, vol=8.570000e+06
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HD2)
# Restraints file 2: wsh2030_unambig.tbl
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HB2) 1.754 0.384 0.384 weight 1.000 ! spec=NOESY, no=4, id=1, vol=6.100000e+08
    or (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HB1)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name  HB2) 1.763 0.389 0.389 weight 1.000 ! spec=NOESY, no=5, id=2, vol=5.910000e+08
assign (segid "    " and resid    8 and name  HD1) (segid "    " and resid    8 and name  HD2) 1.806 0.408 0.408 weight 1.000 ! spec=NOESY, no=6, id=3, vol=5.110000e+08
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name  HB2) 1.816 0.412 0.412 weight 1.000 ! spec=NOESY, no=7, id=4, vol=4.950000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HB2) 1.823 0.416 0.416 weight 1.000 ! spec=NOESY, no=9, id=6, vol=4.830000e+08
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HB2) 1.844 0.425 0.425 weight 1.000 ! spec=NOESY, no=10, id=7, vol=4.520000e+08
assign (segid "    " and resid   32 and name  HN1) (segid "    " and resid   32 and name  HN2) 1.857 0.431 0.431 weight 1.000 ! spec=NOESY, no=11, id=8, vol=4.330000e+08
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    2 and name  HD2) 1.869 0.436 0.436 weight 1.000 ! spec=NOESY, no=12, id=9, vol=4.170000e+08
assign (segid "    " and resid    9 and name  HA1) (segid "    " and resid    9 and name  HA2) 1.871 0.438 0.438 weight 1.000 ! spec=NOESY, no=13, id=10, vol=4.140000e+08
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HB2) 1.879 0.441 0.441 weight 1.000 ! spec=NOESY, no=14, id=11, vol=4.030000e+08
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid   14 and name  HD1) 1.909 0.455 0.455 weight 1.000 ! spec=NOESY, no=16, id=13, vol=3.670000e+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   17 and name  HB1) (segid "    " and resid   17 and name  HB2) 1.915 0.458 0.458 weight 1.000 ! spec=NOESY, no=17, id=14, vol=3.600000e+08
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name  HG2) 1.928 0.464 0.464 weight 1.000 ! spec=NOESY, no=18, id=15, vol=3.460000e+08
assign (segid "    " and resid    7 and name  HZ3) (segid "    " and resid    7 and name  HH2) 1.936 0.469 0.469 weight 1.000 ! spec=NOESY, no=20, id=17, vol=3.370000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HB2) 1.944 0.472 0.472 weight 1.000 ! spec=NOESY, no=21, id=18, vol=3.290000e+08
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD12) 2.050 0.525 0.525 weight 1.000 ! spec=NOESY, no=22, id=19, vol=2.390000e+08
    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    7 and name   HA) (segid "    " and resid    8 and name  HD1) 2.050 0.525 0.525 weight 1.000 ! spec=NOESY, no=23, id=20, vol=2.390000e+08
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HE1) 2.062 0.531 0.531 weight 1.000 ! spec=NOESY, no=24, id=21, vol=2.310000e+08
    or (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB1) 2.066 0.534 0.534 weight 1.000 ! spec=NOESY, no=25, id=22, vol=2.280000e+08
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name   HN) 2.069 0.535 0.535 weight 1.000 ! spec=NOESY, no=26, id=23, vol=2.260000e+08
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HE2) 2.084 0.543 0.543 weight 1.000 ! spec=NOESY, no=27, id=24, vol=2.170000e+08
    or (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HE3)
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HE2)
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HE3)
assign (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG21) 2.084 0.543 0.543 weight 1.000 ! spec=NOESY, no=28, id=25, vol=2.170000e+08
    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    2 and name  HB1) (segid "    " and resid    2 and name  HB2) 2.090 0.546 0.546 weight 1.000 ! spec=NOESY, no=29, id=26, vol=2.130000e+08
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HD2) 2.114 0.559 0.559 weight 1.000 ! spec=NOESY, no=30, id=27, vol=1.990000e+08
    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   HG) (segid "    " and resid   20 and name HD22) 2.117 0.560 0.560 weight 1.000 ! spec=NOESY, no=31, id=28, vol=1.970000e+08
    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   11 and name  HA2) (segid "    " and resid   11 and name   HN) 2.132 0.568 0.568 weight 1.000 ! spec=NOESY, no=32, id=29, vol=1.890000e+08
    or (segid "    " and resid   11 and name  HA1) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name  HD2) 2.140 0.572 0.572 weight 1.000 ! spec=NOESY, no=33, id=30, vol=1.850000e+08
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HB) 2.153 0.580 0.580 weight 1.000 ! spec=NOESY, no=34, id=31, vol=1.780000e+08
    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   14 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.160 0.583 0.583 weight 1.000 ! spec=NOESY, no=35, id=32, vol=1.750000e+08
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name   HN) 2.179 0.593 0.593 weight 1.000 ! spec=NOESY, no=36, id=33, vol=1.660000e+08
assign (segid "    " and resid   31 and name  HD2) (segid "    " and resid   31 and name  HE2) 2.188 0.598 0.598 weight 1.000 ! spec=NOESY, no=37, id=34, vol=1.620000e+08
    or (segid "    " and resid   31 and name  HD2) (segid "    " and resid   31 and name  HE1)
    or (segid "    " and resid   31 and name  HD1) (segid "    " and resid   31 and name  HE2)
    or (segid "    " and resid   31 and name  HD1) (segid "    " and resid   31 and name  HE1)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD1) 2.188 0.598 0.598 weight 1.000 ! spec=NOESY, no=38, id=35, vol=1.620000e+08
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name   HN) 2.188 0.598 0.598 weight 1.000 ! spec=NOESY, no=39, id=36, vol=1.620000e+08
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD1) 2.199 0.604 0.604 weight 1.000 ! spec=NOESY, no=40, id=37, vol=1.570000e+08
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name HG21) 2.211 0.611 0.611 weight 1.000 ! spec=NOESY, no=41, id=38, vol=1.520000e+08
    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   13 and name  HB2) (segid "    " and resid   13 and name  HD2) 2.216 0.614 0.614 weight 1.000 ! spec=NOESY, no=43, id=40, vol=1.500000e+08
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HD1)
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HD1)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB2) 2.216 0.614 0.614 weight 1.000 ! spec=NOESY, no=44, id=41, vol=1.500000e+08
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HD1) 2.218 0.615 0.615 weight 1.000 ! spec=NOESY, no=45, id=42, vol=1.490000e+08
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.218 0.615 0.615 weight 1.000 ! spec=NOESY, no=46, id=43, vol=1.490000e+08
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name  HD2) 2.226 0.619 0.619 weight 1.000 ! spec=NOESY, no=47, id=44, vol=1.460000e+08
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB1) 2.228 0.621 0.621 weight 1.000 ! spec=NOESY, no=48, id=45, vol=1.450000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA) 2.236 0.625 0.625 weight 1.000 ! spec=NOESY, no=49, id=46, vol=1.420000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB1) 2.250 0.633 0.633 weight 1.000 ! spec=NOESY, no=50, id=47, vol=1.370000e+08
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HD2) 2.258 0.637 0.637 weight 1.000 ! spec=NOESY, no=51, id=48, vol=1.340000e+08
    or (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HD1)
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name  HD2) 2.269 0.644 0.644 weight 1.000 ! spec=NOESY, no=53, id=50, vol=1.300000e+08
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name  HB2) 2.275 0.647 0.647 weight 1.000 ! spec=NOESY, no=54, id=51, vol=1.280000e+08
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name  HB1)
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=55, id=52, vol=1.280000e+08
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HN) 2.275 0.647 0.647 weight 1.000 ! spec=NOESY, no=56, id=53, vol=1.280000e+08
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name  HD2) 2.278 0.649 0.649 weight 1.000 ! spec=NOESY, no=57, id=54, vol=1.270000e+08
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG21) 2.278 0.649 0.649 weight 1.000 ! spec=NOESY, no=58, id=55, vol=1.270000e+08
    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    6 and name   HA) (segid "    " and resid    6 and name HG21) 2.287 0.654 0.654 weight 1.000 ! spec=NOESY, no=59, id=56, vol=1.240000e+08
    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    5 and name  HB1) (segid "    " and resid   23 and name  HD2) 2.297 0.659 0.659 weight 1.000 ! spec=NOESY, no=60, id=57, vol=1.210000e+08
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HA) 2.303 0.663 0.663 weight 1.000 ! spec=NOESY, no=61, id=58, vol=1.190000e+08
    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   14 and name   HA) (segid "    " and resid   14 and name  HD1) 2.316 0.671 0.671 weight 1.000 ! spec=NOESY, no=62, id=59, vol=1.150000e+08
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HA) 2.326 0.676 0.676 weight 1.000 ! spec=NOESY, no=64, id=61, vol=1.120000e+08
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD12) 2.326 0.676 0.676 weight 1.000 ! spec=NOESY, no=65, id=62, vol=1.120000e+08
    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   25 and name  HG2) (segid "    " and resid   25 and name   HA) 2.333 0.681 0.681 weight 1.000 ! spec=NOESY, no=66, id=63, vol=1.100000e+08
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.333 0.681 0.681 weight 1.000 ! spec=NOESY, no=67, id=64, vol=1.100000e+08
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2) 2.333 0.681 0.681 weight 1.000 ! spec=NOESY, no=68, id=65, vol=1.100000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB2) 2.337 0.683 0.683 weight 1.000 ! spec=NOESY, no=69, id=66, vol=1.090000e+08
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN) 2.337 0.683 0.683 weight 1.000 ! spec=NOESY, no=70, id=67, vol=1.090000e+08
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 2.337 0.683 0.683 weight 1.000 ! spec=NOESY, no=71, id=68, vol=1.090000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HA) 2.340 0.685 0.685 weight 1.000 ! spec=NOESY, no=72, id=69, vol=1.080000e+08
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HN) 2.344 0.687 0.687 weight 1.000 ! spec=NOESY, no=73, id=70, vol=1.070000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HA) 2.355 0.693 0.693 weight 1.000 ! spec=NOESY, no=75, id=72, vol=1.040000e+08
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HA) 2.355 0.693 0.693 weight 1.000 ! spec=NOESY, no=76, id=73, vol=1.040000e+08
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   14 and name  HD1) 2.355 0.693 0.693 weight 1.000 ! spec=NOESY, no=77, id=74, vol=1.040000e+08
    or (segid "    " and resid   20 and name HD12) (segid "    " and resid   14 and name  HD2)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   14 and name  HD2)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HE1) 2.359 0.696 0.696 weight 1.000 ! spec=NOESY, no=78, id=75, vol=1.030000e+08
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HN) 2.359 0.696 0.696 weight 1.000 ! spec=NOESY, no=79, id=76, vol=1.030000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG2) 2.363 0.698 0.698 weight 1.000 ! spec=NOESY, no=80, id=77, vol=1.020000e+08
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HG) 2.363 0.698 0.698 weight 1.000 ! spec=NOESY, no=82, id=79, vol=1.020000e+08
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HA) 2.367 0.700 0.700 weight 1.000 ! spec=NOESY, no=83, id=80, vol=1.010000e+08
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HN) 2.367 0.700 0.700 weight 1.000 ! spec=NOESY, no=84, id=81, vol=1.010000e+08
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HN) 2.375 0.705 0.705 weight 1.000 ! spec=NOESY, no=86, id=83, vol=9.900000e+07
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HN) 2.392 0.715 0.715 weight 1.000 ! spec=NOESY, no=88, id=85, vol=9.470000e+07
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HN) 2.394 0.717 0.717 weight 1.000 ! spec=NOESY, no=89, id=86, vol=9.420000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name HD12) 2.400 0.720 0.720 weight 1.000 ! spec=NOESY, no=90, id=87, vol=9.280000e+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    3 and name   HA) (segid "    " and resid    3 and name  HB2) 2.413 0.728 0.728 weight 1.000 ! spec=NOESY, no=92, id=89, vol=9.000000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB1) 2.413 0.728 0.728 weight 1.000 ! spec=NOESY, no=93, id=90, vol=9.000000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.416 0.730 0.730 weight 1.000 ! spec=NOESY, no=94, id=91, vol=8.920000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HA) 2.420 0.732 0.732 weight 1.000 ! spec=NOESY, no=95, id=92, vol=8.840000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 2.421 0.733 0.733 weight 1.000 ! spec=NOESY, no=96, id=93, vol=8.820000e+07
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB1) 2.422 0.733 0.733 weight 1.000 ! spec=NOESY, no=97, id=94, vol=8.790000e+07
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HA) 2.422 0.733 0.733 weight 1.000 ! spec=NOESY, no=98, id=95, vol=8.790000e+07
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN) 2.422 0.733 0.733 weight 1.000 ! spec=NOESY, no=99, id=96, vol=8.790000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD12) 2.425 0.735 0.735 weight 1.000 ! spec=NOESY, no=100, id=97, vol=8.740000e+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   16 and name  HG2) (segid "    " and resid   16 and name  HD1) 2.426 0.736 0.736 weight 1.000 ! spec=NOESY, no=101, id=98, vol=8.710000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB2) 2.427 0.736 0.736 weight 1.000 ! spec=NOESY, no=102, id=99, vol=8.690000e+07
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HG21) 2.429 0.738 0.738 weight 1.000 ! spec=NOESY, no=103, id=100, vol=8.640000e+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    4 and name   HA) (segid "    " and resid    4 and name  HB1) 2.431 0.739 0.739 weight 1.000 ! spec=NOESY, no=104, id=101, vol=8.600000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name   HN) 2.432 0.739 0.739 weight 1.000 ! spec=NOESY, no=106, id=103, vol=8.580000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   16 and name   HN) 2.434 0.740 0.740 weight 1.000 ! spec=NOESY, no=107, id=104, vol=8.540000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB2) 2.437 0.743 0.743 weight 1.000 ! spec=NOESY, no=108, id=105, vol=8.470000e+07
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.438 0.743 0.743 weight 1.000 ! spec=NOESY, no=109, id=106, vol=8.450000e+07
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name  HD1) 2.439 0.743 0.743 weight 1.000 ! spec=NOESY, no=110, id=107, vol=8.440000e+07
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HN) 2.446 0.748 0.748 weight 1.000 ! spec=NOESY, no=111, id=108, vol=8.290000e+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    1 and name   HA) (segid "    " and resid    2 and name  HD1) 2.448 0.749 0.749 weight 1.000 ! spec=NOESY, no=112, id=109, vol=8.240000e+07
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HB1) 2.451 0.751 0.751 weight 1.000 ! spec=NOESY, no=113, id=110, vol=8.180000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name   HN) 2.453 0.752 0.752 weight 1.000 ! spec=NOESY, no=115, id=112, vol=8.140000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD1) 2.457 0.755 0.755 weight 1.000 ! spec=NOESY, no=116, id=113, vol=8.070000e+07
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name  HD2) 2.459 0.756 0.756 weight 1.000 ! spec=NOESY, no=117, id=114, vol=8.020000e+07
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HD2) 2.462 0.758 0.758 weight 1.000 ! spec=NOESY, no=118, id=115, vol=7.970000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HG2) 2.464 0.759 0.759 weight 1.000 ! spec=NOESY, no=119, id=116, vol=7.940000e+07
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   23 and name  HD2) 2.473 0.764 0.764 weight 1.000 ! spec=NOESY, no=120, id=117, vol=7.770000e+07
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD2) 2.473 0.764 0.764 weight 1.000 ! spec=NOESY, no=121, id=118, vol=7.760000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN) 2.484 0.772 0.772 weight 1.000 ! spec=NOESY, no=122, id=119, vol=7.550000e+07
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name   HN) 2.485 0.772 0.772 weight 1.000 ! spec=NOESY, no=123, id=120, vol=7.540000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HA) 2.487 0.773 0.773 weight 1.000 ! spec=NOESY, no=124, id=121, vol=7.500000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD22) 2.492 0.776 0.776 weight 1.000 ! spec=NOESY, no=125, id=122, vol=7.420000e+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  HB2) (segid "    " and resid    5 and name   HN) 2.499 0.781 0.781 weight 1.000 ! spec=NOESY, no=126, id=123, vol=7.280000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HN) 2.500 0.781 0.781 weight 1.000 ! spec=NOESY, no=127, id=124, vol=7.270000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.503 0.783 0.783 weight 1.000 ! spec=NOESY, no=128, id=125, vol=7.220000e+07
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   20 and name HD22) (segid "    " and resid    3 and name  HD1) 2.504 0.783 0.783 weight 1.000 ! spec=NOESY, no=129, id=126, vol=7.210000e+07
    or (segid "    " and resid   20 and name HD22) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD22) 2.504 0.784 0.784 weight 1.000 ! spec=NOESY, no=130, id=127, vol=7.200000e+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   20 and name  HB2) (segid "    " and resid   20 and name HD12) 2.506 0.785 0.785 weight 1.000 ! spec=NOESY, no=131, id=128, vol=7.160000e+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   12 and name  HG1) (segid "    " and resid   14 and name  HE1) 2.516 0.792 0.792 weight 1.000 ! spec=NOESY, no=132, id=129, vol=6.990000e+07
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB2) 2.524 0.796 0.796 weight 1.000 ! spec=NOESY, no=133, id=130, vol=6.870000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG21) 2.526 0.798 0.798 weight 1.000 ! spec=NOESY, no=134, id=131, vol=6.830000e+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   23 and name  HB2) (segid "    " and resid   23 and name  HD2) 2.536 0.804 0.804 weight 1.000 ! spec=NOESY, no=135, id=132, vol=6.670000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   14 and name  HB2) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=136, id=133, vol=6.510000e+07
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid   14 and name   HN) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=137, id=134, vol=6.500000e+07
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HN) 2.548 0.811 0.811 weight 1.000 ! spec=NOESY, no=138, id=135, vol=6.490000e+07
assign (segid "    " and resid    1 and name  HG2) (segid "    " and resid    1 and name  HD2) 2.552 0.814 0.814 weight 1.000 ! spec=NOESY, no=140, id=137, vol=6.420000e+07
    or (segid "    " and resid    1 and name  HG2) (segid "    " and resid    1 and name  HD1)
    or (segid "    " and resid    1 and name  HG1) (segid "    " and resid    1 and name  HD2)
    or (segid "    " and resid    1 and name  HG1) (segid "    " and resid    1 and name  HD1)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name   HN) 2.552 0.814 0.814 weight 1.000 ! spec=NOESY, no=141, id=138, vol=6.420000e+07
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HD1) 2.553 0.815 0.815 weight 1.000 ! spec=NOESY, no=143, id=140, vol=6.410000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name   HA) 2.554 0.816 0.816 weight 1.000 ! spec=NOESY, no=144, id=141, vol=6.390000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   17 and name   HA) 2.560 0.819 0.819 weight 1.000 ! spec=NOESY, no=145, id=142, vol=6.300000e+07
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HD2) 2.562 0.821 0.821 weight 1.000 ! spec=NOESY, no=146, id=143, vol=6.270000e+07
    or (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   16 and name   HN) 2.566 0.823 0.823 weight 1.000 ! spec=NOESY, no=147, id=144, vol=6.220000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name  HE1) 2.567 0.824 0.824 weight 1.000 ! spec=NOESY, no=148, id=145, vol=6.200000e+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   22 and name  HG2) (segid "    " and resid   22 and name   HA) 2.569 0.825 0.825 weight 1.000 ! spec=NOESY, no=149, id=146, vol=6.180000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HE2) 2.570 0.826 0.826 weight 1.000 ! spec=NOESY, no=150, id=147, vol=6.160000e+07
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HE1)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HE2)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HE1)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN) 2.571 0.827 0.827 weight 1.000 ! spec=NOESY, no=151, id=148, vol=6.140000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   27 and name  HE1) 2.576 0.830 0.830 weight 1.000 ! spec=NOESY, no=152, id=149, vol=6.070000e+07
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HB1) 2.582 0.833 0.833 weight 1.000 ! spec=NOESY, no=153, id=150, vol=5.990000e+07
assign (segid "    " and resid    2 and name  HG1) (segid "    " and resid    2 and name  HD1) 2.584 0.834 0.834 weight 1.000 ! spec=NOESY, no=154, id=151, vol=5.970000e+07
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name   HZ) 2.585 0.835 0.835 weight 1.000 ! spec=NOESY, no=155, id=152, vol=5.950000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HE3) 2.586 0.836 0.836 weight 1.000 ! spec=NOESY, no=156, id=153, vol=5.930000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HN) 2.587 0.837 0.837 weight 1.000 ! spec=NOESY, no=157, id=154, vol=5.920000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 2.589 0.838 0.838 weight 1.000 ! spec=NOESY, no=158, id=155, vol=5.890000e+07
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name   HN) 2.594 0.841 0.841 weight 1.000 ! spec=NOESY, no=160, id=157, vol=5.830000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name   HN) 2.597 0.843 0.843 weight 1.000 ! spec=NOESY, no=161, id=158, vol=5.790000e+07
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HB2) 2.597 0.843 0.843 weight 1.000 ! spec=NOESY, no=162, id=159, vol=5.790000e+07
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name   HA) 2.602 0.846 0.846 weight 1.000 ! spec=NOESY, no=163, id=160, vol=5.720000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name   HN) 2.604 0.847 0.847 weight 1.000 ! spec=NOESY, no=164, id=161, vol=5.700000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name   HN) 2.604 0.848 0.848 weight 1.000 ! spec=NOESY, no=165, id=162, vol=5.690000e+07
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HD2) 2.606 0.849 0.849 weight 1.000 ! spec=NOESY, no=166, id=163, vol=5.670000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN) 2.611 0.852 0.852 weight 1.000 ! spec=NOESY, no=167, id=164, vol=5.600000e+07
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name   HN) 2.612 0.853 0.853 weight 1.000 ! spec=NOESY, no=168, id=165, vol=5.590000e+07
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HB2) 2.613 0.853 0.853 weight 1.000 ! spec=NOESY, no=169, id=166, vol=5.580000e+07
assign (segid "    " and resid    9 and name  HA2) (segid "    " and resid    9 and name   HN) 2.614 0.854 0.854 weight 1.000 ! spec=NOESY, no=170, id=167, vol=5.570000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN) 2.628 0.863 0.863 weight 1.000 ! spec=NOESY, no=171, id=168, vol=5.390000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   23 and name  HE1) 2.636 0.869 0.869 weight 1.000 ! spec=NOESY, no=172, id=169, vol=5.290000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HD1) 2.639 0.870 0.870 weight 1.000 ! spec=NOESY, no=173, id=170, vol=5.260000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.640 0.871 0.871 weight 1.000 ! spec=NOESY, no=174, id=171, vol=5.240000e+07
assign (segid "    " and resid   29 and name  HA2) (segid "    " and resid   30 and name   HN) 2.651 0.879 0.879 weight 1.000 ! spec=NOESY, no=175, id=172, vol=5.110000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=NOESY, no=177, id=173, vol=5.090000e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name   HN) 2.654 0.880 0.880 weight 1.000 ! spec=NOESY, no=178, id=174, vol=5.080000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   16 and name   HN) 2.655 0.881 0.881 weight 1.000 ! spec=NOESY, no=179, id=175, vol=5.070000e+07
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   22 and name   HN) 2.656 0.882 0.882 weight 1.000 ! spec=NOESY, no=180, id=176, vol=5.060000e+07
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   14 and name  HD1) 2.657 0.882 0.882 weight 1.000 ! spec=NOESY, no=181, id=177, vol=5.050000e+07
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   21 and name   HA) 2.657 0.883 0.883 weight 1.000 ! spec=NOESY, no=182, id=178, vol=5.040000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HD1) 2.659 0.884 0.884 weight 1.000 ! spec=NOESY, no=183, id=179, vol=5.020000e+07
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name   HA) 2.661 0.885 0.885 weight 1.000 ! spec=NOESY, no=184, id=180, vol=5.000000e+07
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name   HA)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HN) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=185, id=181, vol=4.970000e+07
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   14 and name  HE1) 2.665 0.887 0.887 weight 1.000 ! spec=NOESY, no=186, id=182, vol=4.960000e+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  HB1) 2.671 0.892 0.892 weight 1.000 ! spec=NOESY, no=187, id=183, vol=4.890000e+07
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   24 and name   HN) 2.671 0.892 0.892 weight 1.000 ! spec=NOESY, no=188, id=184, vol=4.890000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.672 0.892 0.892 weight 1.000 ! spec=NOESY, no=189, id=185, vol=4.880000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1)
assign (segid "    " and resid   20 and name HD22) (segid "    " and resid    4 and name   HN) 2.673 0.893 0.893 weight 1.000 ! spec=NOESY, no=190, id=186, vol=4.870000e+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    4 and name   HA) (segid "    " and resid    4 and name  HG1) 2.676 0.895 0.895 weight 1.000 ! spec=NOESY, no=192, id=188, vol=4.830000e+07
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HN) 2.678 0.897 0.897 weight 1.000 ! spec=NOESY, no=193, id=189, vol=4.810000e+07
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   13 and name   HN) 2.679 0.897 0.897 weight 1.000 ! spec=NOESY, no=194, id=190, vol=4.800000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid    7 and name  HE3) 2.679 0.897 0.897 weight 1.000 ! spec=NOESY, no=195, id=191, vol=4.800000e+07
assign (segid "    " and resid    7 and name  HZ2) (segid "    " and resid    7 and name  HE1) 2.680 0.898 0.898 weight 1.000 ! spec=NOESY, no=196, id=192, vol=4.790000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HA) 2.680 0.898 0.898 weight 1.000 ! spec=NOESY, no=197, id=193, vol=4.790000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   28 and name   HN) 2.685 0.901 0.901 weight 1.000 ! spec=NOESY, no=198, id=194, vol=4.740000e+07
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name   HN) 2.686 0.902 0.902 weight 1.000 ! spec=NOESY, no=199, id=195, vol=4.730000e+07
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name  HD2) 2.696 0.909 0.909 weight 1.000 ! spec=NOESY, no=201, id=197, vol=4.620000e+07
    or (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name  HD1)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 2.696 0.909 0.909 weight 1.000 ! spec=NOESY, no=202, id=198, vol=4.620000e+07
assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid   11 and name  HA2) 2.697 0.909 0.909 weight 1.000 ! spec=NOESY, no=203, id=199, vol=4.610000e+07
    or (segid "    " and resid    4 and name  HE2) (segid "    " and resid   11 and name  HA1)
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid   11 and name  HA2)
    or (segid "    " and resid    4 and name  HE1) (segid "    " and resid   11 and name  HA1)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid   11 and name  HA2)
    or (segid "    " and resid    4 and name  HE3) (segid "    " and resid   11 and name  HA1)
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name  HD2) 2.697 0.909 0.909 weight 1.000 ! spec=NOESY, no=204, id=200, vol=4.610000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.698 0.910 0.910 weight 1.000 ! spec=NOESY, no=205, id=201, vol=4.600000e+07
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid    3 and name  HE1) 2.698 0.910 0.910 weight 1.000 ! spec=NOESY, no=206, id=202, vol=4.600000e+07
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 2.700 0.911 0.911 weight 1.000 ! spec=NOESY, no=207, id=203, vol=4.580000e+07
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HN) 2.702 0.913 0.913 weight 1.000 ! spec=NOESY, no=208, id=204, vol=4.560000e+07
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   29 and name   HN) 2.706 0.915 0.915 weight 1.000 ! spec=NOESY, no=209, id=205, vol=4.520000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name   HN) 2.714 0.921 0.921 weight 1.000 ! spec=NOESY, no=210, id=206, vol=4.440000e+07
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HN) 2.715 0.922 0.922 weight 1.000 ! spec=NOESY, no=211, id=207, vol=4.430000e+07
assign (segid "    " and resid   29 and name  HA1) (segid "    " and resid   30 and name   HN) 2.715 0.922 0.922 weight 1.000 ! spec=NOESY, no=212, id=208, vol=4.430000e+07
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name   HA) 2.715 0.922 0.922 weight 1.000 ! spec=NOESY, no=213, id=209, vol=4.430000e+07
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   14 and name  HE1) 2.718 0.924 0.924 weight 1.000 ! spec=NOESY, no=214, id=210, vol=4.400000e+07
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name   HN) 2.718 0.924 0.924 weight 1.000 ! spec=NOESY, no=215, id=211, vol=4.400000e+07
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   24 and name   HN) 2.721 0.926 0.926 weight 1.000 ! spec=NOESY, no=216, id=212, vol=4.370000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 2.723 0.927 0.927 weight 1.000 ! spec=NOESY, no=217, id=213, vol=4.350000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HN) 2.726 0.929 0.929 weight 1.000 ! spec=NOESY, no=218, id=214, vol=4.330000e+07
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   14 and name   HZ) 2.732 0.933 0.933 weight 1.000 ! spec=NOESY, no=221, id=217, vol=4.270000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid    3 and name  HB2) 2.735 0.935 0.935 weight 1.000 ! spec=NOESY, no=222, id=218, vol=4.240000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HD1) 2.737 0.937 0.937 weight 1.000 ! spec=NOESY, no=223, id=219, vol=4.220000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name   HN) 2.741 0.939 0.939 weight 1.000 ! spec=NOESY, no=225, id=221, vol=4.190000e+07
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HD2) 2.746 0.943 0.943 weight 1.000 ! spec=NOESY, no=226, id=222, vol=4.140000e+07
assign (segid "    " and resid   29 and name  HA1) (segid "    " and resid   29 and name   HN) 2.747 0.943 0.943 weight 1.000 ! spec=NOESY, no=227, id=223, vol=4.130000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   27 and name  HD2) 2.750 0.946 0.946 weight 1.000 ! spec=NOESY, no=228, id=224, vol=4.100000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HN) 2.755 0.949 0.949 weight 1.000 ! spec=NOESY, no=229, id=225, vol=4.060000e+07
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name   HN) 2.758 0.951 0.951 weight 1.000 ! spec=NOESY, no=231, id=227, vol=4.030000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 2.760 0.952 0.952 weight 1.000 ! spec=NOESY, no=232, id=228, vol=4.020000e+07
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name  HD1) 2.764 0.955 0.955 weight 1.000 ! spec=NOESY, no=234, id=230, vol=3.980000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.764 0.955 0.955 weight 1.000 ! spec=NOESY, no=235, id=231, vol=3.980000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    7 and name  HE3) 2.769 0.958 0.958 weight 1.000 ! spec=NOESY, no=238, id=234, vol=3.940000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   23 and name  HD2) 2.770 0.959 0.959 weight 1.000 ! spec=NOESY, no=239, id=235, vol=3.930000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   20 and name   HN) 2.774 0.962 0.962 weight 1.000 ! spec=NOESY, no=240, id=236, vol=3.900000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HD1) 2.795 0.977 0.977 weight 1.000 ! spec=NOESY, no=241, id=237, vol=3.720000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   23 and name  HD2) 2.795 0.977 0.977 weight 1.000 ! spec=NOESY, no=243, id=239, vol=3.720000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.799 0.979 0.979 weight 1.000 ! spec=NOESY, no=244, id=240, vol=3.690000e+07
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   23 and name  HE1) 2.799 0.979 0.979 weight 1.000 ! spec=NOESY, no=245, id=241, vol=3.690000e+07
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HE1) 2.800 0.980 0.980 weight 1.000 ! spec=NOESY, no=246, id=242, vol=3.680000e+07
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   20 and name   HN) 2.804 0.983 0.983 weight 1.000 ! spec=NOESY, no=247, id=243, vol=3.650000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name   HN) 2.807 0.985 0.985 weight 1.000 ! spec=NOESY, no=248, id=244, vol=3.630000e+07
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HA) 2.807 0.985 0.985 weight 1.000 ! spec=NOESY, no=249, id=245, vol=3.630000e+07
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name   HN) 2.809 0.987 0.987 weight 1.000 ! spec=NOESY, no=251, id=247, vol=3.610000e+07
assign (segid "    " and resid   11 and name  HA2) (segid "    " and resid   12 and name   HN) 2.812 0.988 0.988 weight 1.000 ! spec=NOESY, no=252, id=248, vol=3.590000e+07
    or (segid "    " and resid   11 and name  HA1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   12 and name   HN) 2.812 0.988 0.988 weight 1.000 ! spec=NOESY, no=253, id=249, vol=3.590000e+07
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HD2) 2.813 0.989 0.989 weight 1.000 ! spec=NOESY, no=254, id=250, vol=3.580000e+07
    or (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HN) 2.813 0.989 0.989 weight 1.000 ! spec=NOESY, no=255, id=251, vol=3.580000e+07
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   23 and name  HD2) 2.813 0.989 0.989 weight 1.000 ! spec=NOESY, no=256, id=252, vol=3.580000e+07
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG1) 2.817 0.992 0.992 weight 1.000 ! spec=NOESY, no=257, id=253, vol=3.550000e+07
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name   HN) 2.819 0.993 0.993 weight 1.000 ! spec=NOESY, no=258, id=254, vol=3.540000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 2.823 0.996 0.996 weight 1.000 ! spec=NOESY, no=259, id=255, vol=3.510000e+07
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HD1) 2.828 1.000 1.000 weight 1.000 ! spec=NOESY, no=260, id=256, vol=3.470000e+07
    or (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name   HN) 2.834 1.004 1.004 weight 1.000 ! spec=NOESY, no=261, id=257, vol=3.430000e+07
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HN) 2.836 1.006 1.006 weight 1.000 ! spec=NOESY, no=262, id=258, vol=3.410000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.839 1.008 1.008 weight 1.000 ! spec=NOESY, no=263, id=259, vol=3.390000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   20 and name HD12) 2.855 1.019 1.019 weight 1.000 ! spec=NOESY, no=264, id=260, vol=3.280000e+07
    or (segid "    " and resid   24 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   24 and name  HB2) (segid "    " and resid   20 and name HD13)
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   20 and name HD12)
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name HD12) 2.856 1.020 1.020 weight 1.000 ! spec=NOESY, no=265, id=261, vol=3.270000e+07
    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    3 and name  HB2) (segid "    " and resid    4 and name   HN) 2.864 1.025 1.025 weight 1.000 ! spec=NOESY, no=266, id=262, vol=3.220000e+07
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN) 2.865 1.026 1.026 weight 1.000 ! spec=NOESY, no=267, id=263, vol=3.210000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name   HN) 2.865 1.026 1.026 weight 1.000 ! spec=NOESY, no=268, id=264, vol=3.210000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name  HD1) 2.866 1.027 1.027 weight 1.000 ! spec=NOESY, no=269, id=265, vol=3.200000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    9 and name  HA1) (segid "    " and resid    9 and name   HN) 2.869 1.029 1.029 weight 1.000 ! spec=NOESY, no=271, id=267, vol=3.180000e+07
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HD2) 2.869 1.029 1.029 weight 1.000 ! spec=NOESY, no=272, id=268, vol=3.180000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name   HN) 2.869 1.029 1.029 weight 1.000 ! spec=NOESY, no=273, id=269, vol=3.180000e+07
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA) 2.871 1.030 1.030 weight 1.000 ! spec=NOESY, no=274, id=270, vol=3.170000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 2.871 1.030 1.030 weight 1.000 ! spec=NOESY, no=275, id=271, vol=3.170000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 2.877 1.035 1.035 weight 1.000 ! spec=NOESY, no=276, id=272, vol=3.130000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   27 and name  HD2) 2.879 1.036 1.036 weight 1.000 ! spec=NOESY, no=277, id=273, vol=3.120000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   10 and name   HN) 2.879 1.036 1.036 weight 1.000 ! spec=NOESY, no=278, id=274, vol=3.120000e+07
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   26 and name   HN) 2.890 1.044 1.044 weight 1.000 ! spec=NOESY, no=279, id=275, vol=3.050000e+07
    or (segid "    " and resid   25 and name  HB1) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   16 and name   HN) 2.897 1.049 1.049 weight 1.000 ! spec=NOESY, no=280, id=276, vol=3.000000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name   HN) 2.901 1.052 1.052 weight 1.000 ! spec=NOESY, no=282, id=278, vol=2.980000e+07
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   27 and name   HN) 2.906 1.055 1.055 weight 1.000 ! spec=NOESY, no=284, id=280, vol=2.950000e+07
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid    7 and name  HD1) 2.906 1.055 1.055 weight 1.000 ! spec=NOESY, no=285, id=281, vol=2.950000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name   HZ) 2.914 1.061 1.061 weight 1.000 ! spec=NOESY, no=286, id=282, vol=2.900000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   27 and name  HE1) 2.931 1.074 1.074 weight 1.000 ! spec=NOESY, no=288, id=284, vol=2.800000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name   HN) 2.934 1.076 1.076 weight 1.000 ! spec=NOESY, no=289, id=285, vol=2.780000e+07
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name   HN) 2.952 1.090 1.090 weight 1.000 ! spec=NOESY, no=292, id=288, vol=2.680000e+07
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HN) 2.960 1.095 1.095 weight 1.000 ! spec=NOESY, no=294, id=289, vol=2.640000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 2.964 1.098 1.098 weight 1.000 ! spec=NOESY, no=295, id=290, vol=2.620000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HN) 2.966 1.099 1.099 weight 1.000 ! spec=NOESY, no=296, id=291, vol=2.610000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    7 and name  HZ3) 2.973 1.105 1.105 weight 1.000 ! spec=NOESY, no=298, id=293, vol=2.570000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HB1) 2.977 1.108 1.108 weight 1.000 ! spec=NOESY, no=299, id=294, vol=2.550000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name  HD1) 2.979 1.109 1.109 weight 1.000 ! spec=NOESY, no=300, id=295, vol=2.540000e+07
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HD1) 2.979 1.109 1.109 weight 1.000 ! spec=NOESY, no=301, id=296, vol=2.540000e+07
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   19 and name   HN) 2.997 1.123 1.123 weight 1.000 ! spec=NOESY, no=302, id=297, vol=2.450000e+07
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HN) 3.011 1.134 1.134 weight 1.000 ! spec=NOESY, no=304, id=299, vol=2.380000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   20 and name HD12) 3.054 1.165 1.165 weight 1.000 ! spec=NOESY, no=305, id=300, vol=2.190000e+07
    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   27 and name  HD2) (segid "    " and resid   23 and name  HD2) 3.058 1.169 1.169 weight 1.000 ! spec=NOESY, no=306, id=301, vol=2.170000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid    7 and name  HZ3) 3.065 1.175 1.175 weight 1.000 ! spec=NOESY, no=307, id=302, vol=2.140000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name HG21) 3.077 1.184 1.184 weight 1.000 ! spec=NOESY, no=309, id=304, vol=2.090000e+07
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name HG23)
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HD1) 3.090 1.193 1.193 weight 1.000 ! spec=NOESY, no=311, id=306, vol=2.040000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HD1)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name   HN) 3.090 1.193 1.193 weight 1.000 ! spec=NOESY, no=312, id=307, vol=2.040000e+07
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   26 and name   HN) 3.090 1.193 1.193 weight 1.000 ! spec=NOESY, no=313, id=308, vol=2.040000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   23 and name  HD2) 3.092 1.195 1.195 weight 1.000 ! spec=NOESY, no=314, id=309, vol=2.030000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   23 and name  HD2) 3.103 1.203 1.203 weight 1.000 ! spec=NOESY, no=315, id=310, vol=1.990000e+07
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   23 and name  HD2) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY, no=316, id=311, vol=1.980000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   20 and name HD22) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY, no=317, id=312, vol=1.980000e+07
    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)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name   HN) 3.124 1.220 1.220 weight 1.000 ! spec=NOESY, no=318, id=313, vol=1.910000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD1) 3.129 1.224 1.224 weight 1.000 ! spec=NOESY, no=319, id=314, vol=1.890000e+07
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name   HN) 3.132 1.226 1.226 weight 1.000 ! spec=NOESY, no=320, id=315, vol=1.880000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name   HN) 3.143 1.235 1.235 weight 1.000 ! spec=NOESY, no=322, id=317, vol=1.840000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HN) 3.149 1.240 1.240 weight 1.000 ! spec=NOESY, no=323, id=318, vol=1.820000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   24 and name   HN) 3.155 1.244 1.244 weight 1.000 ! spec=NOESY, no=324, id=319, vol=1.800000e+07
assign (segid "    " and resid    7 and name  HE3) (segid "    " and resid   27 and name  HE1) 3.158 1.247 1.247 weight 1.000 ! spec=NOESY, no=325, id=320, vol=1.790000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 3.167 1.254 1.254 weight 1.000 ! spec=NOESY, no=326, id=321, vol=1.760000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HN) 3.170 1.256 1.256 weight 1.000 ! spec=NOESY, no=327, id=322, vol=1.750000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name   HN) 3.173 1.258 1.258 weight 1.000 ! spec=NOESY, no=328, id=323, vol=1.740000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HE3) 3.204 1.283 1.283 weight 1.000 ! spec=NOESY, no=329, id=324, vol=1.640000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   20 and name   HN) 3.228 1.302 1.302 weight 1.000 ! spec=NOESY, no=330, id=325, vol=1.570000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name   HN) 3.231 1.305 1.305 weight 1.000 ! spec=NOESY, no=331, id=326, vol=1.560000e+07
assign (segid "    " and resid    8 and name  HD1) (segid "    " and resid    7 and name  HD1) 3.245 1.316 1.316 weight 1.000 ! spec=NOESY, no=333, id=328, vol=1.520000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 3.310 1.369 1.369 weight 1.000 ! spec=NOESY, no=334, id=329, vol=1.350000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HE1) 3.322 1.380 1.380 weight 1.000 ! spec=NOESY, no=335, id=330, vol=1.320000e+07
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   23 and name  HD2) 3.415 1.457 1.457 weight 1.000 ! spec=NOESY, no=336, id=331, vol=1.120000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   23 and name  HE1) 3.420 1.462 1.462 weight 1.000 ! spec=NOESY, no=337, id=332, vol=1.110000e+07
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   27 and name  HE1) 3.463 1.499 1.499 weight 1.000 ! spec=NOESY, no=338, id=333, vol=1.030000e+07
assign (segid "    " and resid   15 and name HG21) (segid "    " and resid   15 and name   HN) 3.497 1.528 1.528 weight 1.000 ! spec=NOESY, no=339, id=334, vol=9.710000e+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   22 and name   HA) (segid "    " and resid   25 and name   HN) 3.765 1.772 1.772 weight 1.000 ! spec=NOESY, no=341, id=336, vol=6.230000e+06
# Restraints file 3: wsh2030_dihedrals.tbl
!Phi angle constraints

!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
!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
!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
!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
!K24
 assign (resid  23  and name C ) (resid  24  and name N ) 
        (resid  24  and name CA) (resid  24  and name C )   1.0  -65.0 25.0 2
!H27
 assign (resid  26  and name C ) (resid  27  and name N ) 
        (resid  27  and name CA) (resid  27  and name C )   1.0  -65.0 25.0 2
!E30
 assign (resid  29  and name C ) (resid  30  and name N ) 
        (resid  30  and name CA) (resid  30  and name C )   1.0  -65.0 25.0 2


# Restraints file 4: wsh2030_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 10 and name HN )  (resid 7 and name O )  1.9 0.1 0.1
assign  (resid 10 and name N )  (resid 7 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
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1  13.263  -1.736   3.260
    2    H2   ARG   1           HT2      ARG   1  13.593  -1.131   4.803
    3    H3   ARG   1           HT3      ARG   1  12.551  -0.291   3.773
    4    HA   ARG   1           HA       ARG   1  12.054  -2.955   4.953
    5    HB2  ARG   1           HB2      ARG   1  11.867  -1.027   6.523
    6    HB3  ARG   1           HB1      ARG   1  10.675  -0.310   5.447
    7    HG2  ARG   1           HG2      ARG   1   9.537  -1.367   7.259
    8    HG3  ARG   1           HG1      ARG   1   9.241  -2.302   5.792
    9    HD2  ARG   1           HD2      ARG   1  10.916  -3.926   6.450
   10    HD3  ARG   1           HD1      ARG   1  11.334  -2.961   7.863
   11    HE   ARG   1           HE       ARG   1   8.607  -3.538   8.000
   12   HH11  ARG   1          HH11      ARG   1  11.657  -5.254   8.096
   13   HH12  ARG   1          HH12      ARG   1  11.059  -6.510   9.128
   14   HH21  ARG   1          HH21      ARG   1   8.866  -6.472   9.838
   15   HH22  ARG   1          HH22      ARG   1   7.816  -5.182   9.340
   16    HA   PRO   2           HA       PRO   2   9.578  -3.262   1.180
   17    HB2  PRO   2           HB2      PRO   2   8.756  -5.771   2.521
   18    HB3  PRO   2           HB1      PRO   2   9.398  -5.524   0.891
   19    HG2  PRO   2           HG2      PRO   2  10.900  -6.624   2.800
   20    HG3  PRO   2           HG1      PRO   2  11.597  -5.499   1.620
   21    HD2  PRO   2           HD2      PRO   2  10.812  -5.008   4.472
   22    HD3  PRO   2           HD1      PRO   2  12.236  -4.433   3.576
   23    H    PHE   3           HN       PHE   3   8.013  -1.719   1.542
   24    HA   PHE   3           HA       PHE   3   5.980  -2.099   3.553
   25    HB2  PHE   3           HB2      PHE   3   6.211  -0.082   1.306
   26    HB3  PHE   3           HB1      PHE   3   4.960  -0.067   2.540
   27    HD1  PHE   3           HD1      PHE   3   8.228   1.014   1.668
   28    HD2  PHE   3           HD2      PHE   3   5.703   0.100   4.965
   29    HE1  PHE   3           HE1      PHE   3   9.685   2.337   3.142
   30    HE2  PHE   3           HE2      PHE   3   7.156   1.421   6.451
   31    HZ   PHE   3           HZ       PHE   3   9.150   2.541   5.539
   32    H    NLE   4           HN       NLE   4   5.098  -4.084   2.999
   33    HA   NLE   4           HA       NLE   4   4.006  -4.414   0.312
   34    HB2  NLE   4           HB1      NLE   4   4.355  -6.376   2.579
   35    HB3  NLE   4           HB2      NLE   4   5.422  -6.198   1.198
   36    HG2  NLE   4           HG1      NLE   4   3.651  -6.950  -0.290
   37    HG3  NLE   4           HG2      NLE   4   2.551  -7.098   1.083
   38    HD2  NLE   4           HD1      NLE   4   4.017  -8.787   2.084
   39    HD3  NLE   4           HD2      NLE   4   5.124  -8.638   0.710
   40    HE1  NLE   4           HE1      NLE   4   3.345  -9.366  -0.800
   41    HE2  NLE   4           HE2      NLE   4   2.244  -9.519   0.569
   42    HE3  NLE   4           HE3      NLE   4   3.654 -10.572   0.448
   43    H    CYS   5           HN       CYS   5   1.889  -4.356  -0.131
   44    HA   CYS   5           HA       CYS   5  -0.050  -3.867   1.898
   45    HB2  CYS   5           HB2      CYS   5  -0.559  -2.963  -0.233
   46    HB3  CYS   5           HB1      CYS   5  -0.268  -4.500  -1.041
   47    H    THR   6           HN       THR   6  -1.185  -5.287   3.061
   48    HA   THR   6           HA       THR   6  -0.709  -8.126   2.487
   49    HB   THR   6           HB       THR   6  -1.198  -8.453   4.947
   50    HG1  THR   6           HG1      THR   6  -0.729  -5.645   5.100
   51   HG21  THR   6          HG21      THR   6   1.079  -8.492   4.088
   52   HG22  THR   6          HG22      THR   6   1.036  -7.686   5.656
   53   HG23  THR   6          HG23      THR   6   1.162  -6.732   4.179
   54    H    TRP   7           HN       TRP   7  -2.967  -6.103   1.751
   55    HA   TRP   7           HA       TRP   7  -5.306  -7.230   2.950
   56    HB2  TRP   7           HB2      TRP   7  -5.209  -4.902   2.053
   57    HB3  TRP   7           HB1      TRP   7  -5.071  -5.567   0.429
   58    HD1  TRP   7           HD1      TRP   7  -7.595  -4.828   3.145
   59    HE1  TRP   7           HE1      TRP   7  -9.963  -5.281   2.257
   60    HE3  TRP   7           HE3      TRP   7  -6.386  -7.146  -1.245
   61    HZ2  TRP   7           HZ2      TRP   7 -11.159  -6.462  -0.010
   62    HZ3  TRP   7           HZ3      TRP   7  -8.205  -7.908  -2.713
   63    HH2  TRP   7           HH2      TRP   7 -10.538  -7.573  -2.107
   64    HA   DPR   8           HA       DPR   8  -7.068 -10.029  -0.089
   65    HB2  DPR   8           HB2      DPR   8  -7.749 -11.827   1.177
   66    HB3  DPR   8           HB1      DPR   8  -6.221 -11.915   2.062
   67    HG2  DPR   8           HG2      DPR   8  -8.509 -10.021   2.425
   68    HG3  DPR   8           HG1      DPR   8  -7.566 -10.885   3.655
   69    HD2  DPR   8           HD2      DPR   8  -7.120  -8.280   3.005
   70    HD3  DPR   8           HD1      DPR   8  -5.840  -9.368   3.578
   71    H    GLY   9           HN       GLY   9  -6.006 -10.719  -1.827
   72    HA2  GLY   9           HA2      GLY   9  -3.385 -12.034  -1.476
   73    HA3  GLY   9           HA1      GLY   9  -4.466 -12.289  -2.845
   74    H    CYS  10           HN       CYS  10  -4.270  -9.111  -1.725
   75    HA   CYS  10           HA       CYS  10  -3.019  -8.226  -4.170
   76    HB2  CYS  10           HB2      CYS  10  -4.990  -7.078  -3.272
   77    HB3  CYS  10           HB1      CYS  10  -4.121  -6.717  -1.785
   78    H    GLY  11           HN       GLY  11  -1.007  -9.451  -3.422
   79    HA2  GLY  11           HA2      GLY  11   0.510  -8.253  -1.275
   80    HA3  GLY  11           HA1      GLY  11   1.008  -9.601  -2.285
   81    H    LYS  12           HN       LYS  12   0.221  -6.165  -2.798
   82    HA   LYS  12           HA       LYS  12   2.429  -5.933  -4.668
   83    HB2  LYS  12           HB2      LYS  12   0.250  -4.844  -5.133
   84    HB3  LYS  12           HB1      LYS  12   0.470  -3.830  -3.714
   85    HG2  LYS  12           HG2      LYS  12   2.258  -2.666  -4.696
   86    HG3  LYS  12           HG1      LYS  12   2.430  -3.858  -5.985
   87    HD2  LYS  12           HD2      LYS  12   0.298  -3.207  -6.927
   88    HD3  LYS  12           HD1      LYS  12   0.014  -2.096  -5.588
   89    HE2  LYS  12           HE2      LYS  12   0.766  -0.958  -7.645
   90    HE3  LYS  12           HE1      LYS  12   1.858  -0.710  -6.286
   91    HZ1  LYS  12           HZ1      LYS  12   3.338  -2.369  -7.199
   92    HZ2  LYS  12           HZ2      LYS  12   3.040  -1.171  -8.355
   93    HZ3  LYS  12           HZ3      LYS  12   2.273  -2.670  -8.477
   94    H    ARG  13           HN       ARG  13   4.371  -5.100  -4.217
   95    HA   ARG  13           HA       ARG  13   4.832  -4.279  -1.441
   96    HB2  ARG  13           HB2      ARG  13   6.780  -5.336  -3.492
   97    HB3  ARG  13           HB1      ARG  13   7.184  -4.900  -1.835
   98    HG2  ARG  13           HG2      ARG  13   5.639  -6.628  -1.025
   99    HG3  ARG  13           HG1      ARG  13   5.305  -7.087  -2.695
  100    HD2  ARG  13           HD2      ARG  13   7.670  -7.653  -3.006
  101    HD3  ARG  13           HD1      ARG  13   7.996  -7.189  -1.337
  102    HE   ARG  13           HE       ARG  13   6.179  -9.405  -2.046
  103   HH11  ARG  13          HH11      ARG  13   8.958  -9.494   0.861
  104   HH12  ARG  13          HH12      ARG  13   8.834  -8.100  -0.163
  105   HH21  ARG  13          HH21      ARG  13   6.358 -11.244  -0.707
  106   HH22  ARG  13          HH22      ARG  13   7.553 -11.279   0.550
  107    H    PHE  14           HN       PHE  14   5.807  -2.395  -0.922
  108    HA   PHE  14           HA       PHE  14   6.411  -0.552  -3.135
  109    HB2  PHE  14           HB2      PHE  14   5.098   0.083  -0.492
  110    HB3  PHE  14           HB1      PHE  14   5.505   1.255  -1.744
  111    HD1  PHE  14           HD1      PHE  14   3.207  -1.360  -0.706
  112    HD2  PHE  14           HD2      PHE  14   4.285   1.293  -3.842
  113    HE1  PHE  14           HE1      PHE  14   1.041  -1.779  -1.796
  114    HE2  PHE  14           HE2      PHE  14   2.122   0.892  -4.933
  115    HZ   PHE  14           HZ       PHE  14   0.498  -0.649  -3.912
  116    H    THR  15           HN       THR  15   7.852   1.233  -2.515
  117    HA   THR  15           HA       THR  15   9.988   0.194  -0.795
  118    HB   THR  15           HB       THR  15  10.186   2.429  -2.824
  119    HG1  THR  15           HG1      THR  15   9.561   0.081  -3.488
  120   HG21  THR  15          HG21      THR  15  12.002   2.327  -1.171
  121   HG22  THR  15          HG22      THR  15  12.580   1.891  -2.779
  122   HG23  THR  15          HG23      THR  15  12.281   0.634  -1.580
  123    H    ARG  16           HN       ARG  16   7.785   2.849  -1.243
  124    HA   ARG  16           HA       ARG  16   8.855   4.083   1.210
  125    HB2  ARG  16           HB2      ARG  16   7.509   5.357  -1.175
  126    HB3  ARG  16           HB1      ARG  16   7.772   6.202   0.343
  127    HG2  ARG  16           HG2      ARG  16  10.155   5.982   0.098
  128    HG3  ARG  16           HG1      ARG  16   9.943   5.002  -1.354
  129    HD2  ARG  16           HD2      ARG  16   9.059   6.838  -2.563
  130    HD3  ARG  16           HD1      ARG  16   8.908   7.814  -1.103
  131    HE   ARG  16           HE       ARG  16  11.433   7.681  -1.046
  132   HH11  ARG  16          HH11      ARG  16   9.623   7.521  -4.044
  133   HH12  ARG  16          HH12      ARG  16  10.895   8.223  -4.992
  134   HH21  ARG  16          HH21      ARG  16  13.089   8.623  -2.281
  135   HH22  ARG  16          HH22      ARG  16  12.868   8.856  -3.985
  136    H    SER  17           HN       SER  17   7.418   4.693   2.794
  137    HA   SER  17           HA       SER  17   5.137   3.048   3.049
  138    HB2  SER  17           HB2      SER  17   4.755   4.534   5.123
  139    HB3  SER  17           HB1      SER  17   6.236   3.575   5.052
  140    HG   SER  17           HG       SER  17   6.794   5.637   5.655
  141    H    ASP  18           HN       ASP  18   5.567   6.340   1.954
  142    HA   ASP  18           HA       ASP  18   2.857   7.139   2.109
  143    HB2  ASP  18           HB2      ASP  18   4.647   8.771   1.744
  144    HB3  ASP  18           HB1      ASP  18   4.994   8.056   0.171
  145    H    GLU  19           HN       GLU  19   4.678   5.329  -0.267
  146    HA   GLU  19           HA       GLU  19   2.754   5.342  -2.324
  147    HB2  GLU  19           HB2      GLU  19   4.840   3.263  -1.670
  148    HB3  GLU  19           HB1      GLU  19   3.944   3.359  -3.172
  149    HG2  GLU  19           HG2      GLU  19   4.976   5.502  -3.667
  150    HG3  GLU  19           HG1      GLU  19   5.852   5.442  -2.140
  151    H    LEU  20           HN       LEU  20   3.406   3.136   0.356
  152    HA   LEU  20           HA       LEU  20   1.313   1.328  -0.249
  153    HB2  LEU  20           HB2      LEU  20   3.125   0.596   1.120
  154    HB3  LEU  20           HB1      LEU  20   2.830   1.858   2.298
  155    HG   LEU  20           HG       LEU  20   0.717   0.781   2.935
  156   HD11  LEU  20          HD11      LEU  20   0.117  -0.255   0.833
  157   HD12  LEU  20          HD12      LEU  20   0.202  -1.476   2.101
  158   HD13  LEU  20          HD13      LEU  20   1.513  -1.327   0.933
  159   HD21  LEU  20          HD21      LEU  20   3.012  -1.175   2.966
  160   HD22  LEU  20          HD22      LEU  20   1.657  -1.109   4.091
  161   HD23  LEU  20          HD23      LEU  20   2.843   0.194   4.066
  162    H    GLN  21           HN       GLN  21   1.504   4.144   1.920
  163    HA   GLN  21           HA       GLN  21  -1.060   3.960   3.025
  164    HB2  GLN  21           HB2      GLN  21   0.656   6.361   2.399
  165    HB3  GLN  21           HB1      GLN  21  -0.885   6.486   3.234
  166    HG2  GLN  21           HG2      GLN  21  -0.048   5.123   5.049
  167    HG3  GLN  21           HG1      GLN  21   1.480   4.893   4.200
  168   HE21  GLN  21          HE21      GLN  21   2.926   6.598   4.050
  169   HE22  GLN  21          HE22      GLN  21   2.809   8.001   5.051
  170    H    ARG  22           HN       ARG  22   0.055   5.693   0.156
  171    HA   ARG  22           HA       ARG  22  -2.362   6.715  -0.751
  172    HB2  ARG  22           HB2      ARG  22  -0.042   7.173  -1.642
  173    HB3  ARG  22           HB1      ARG  22  -0.133   5.636  -2.484
  174    HG2  ARG  22           HG2      ARG  22  -2.116   6.474  -3.706
  175    HG3  ARG  22           HG1      ARG  22  -1.880   8.043  -2.927
  176    HD2  ARG  22           HD2      ARG  22  -0.041   6.625  -4.844
  177    HD3  ARG  22           HD1      ARG  22  -0.818   8.197  -5.041
  178    HE   ARG  22           HE       ARG  22   0.725   8.467  -2.805
  179   HH11  ARG  22          HH11      ARG  22   2.976   8.149  -6.110
  180   HH12  ARG  22          HH12      ARG  22   1.326   7.614  -6.142
  181   HH21  ARG  22          HH21      ARG  22   2.897   9.141  -2.737
  182   HH22  ARG  22          HH22      ARG  22   3.870   9.018  -4.174
  183    H    HIS  23           HN       HIS  23  -0.791   3.638  -1.483
  184    HA   HIS  23           HA       HIS  23  -2.722   2.613  -3.218
  185    HB2  HIS  23           HB2      HIS  23  -0.558   1.616  -3.152
  186    HB3  HIS  23           HB1      HIS  23  -0.697   1.277  -1.432
  187    HD1  HIS  23           HD1      HIS  23  -1.583  -0.110  -4.791
  188    HD2  HIS  23           HD2      HIS  23  -2.331  -0.903  -0.759
  189    HE1  HIS  23           HE1      HIS  23  -2.617  -2.434  -4.684
  190    H    LYS  24           HN       LYS  24  -2.337   2.226   0.283
  191    HA   LYS  24           HA       LYS  24  -4.344   0.363   0.742
  192    HB2  LYS  24           HB2      LYS  24  -2.655   1.011   2.398
  193    HB3  LYS  24           HB1      LYS  24  -3.383   2.602   2.536
  194    HG2  LYS  24           HG2      LYS  24  -4.056   1.356   4.427
  195    HG3  LYS  24           HG1      LYS  24  -5.461   1.482   3.368
  196    HD2  LYS  24           HD2      LYS  24  -5.153  -0.774   2.594
  197    HD3  LYS  24           HD1      LYS  24  -3.619  -0.908   3.458
  198    HE2  LYS  24           HE2      LYS  24  -4.802  -0.664   5.589
  199    HE3  LYS  24           HE1      LYS  24  -6.330  -0.519   4.725
  200    HZ1  LYS  24           HZ1      LYS  24  -4.564  -2.900   4.645
  201    HZ2  LYS  24           HZ2      LYS  24  -6.090  -2.755   3.929
  202    HZ3  LYS  24           HZ3      LYS  24  -5.944  -2.752   5.610
  203    H    ARG  25           HN       ARG  25  -4.581   3.761   0.072
  204    HA   ARG  25           HA       ARG  25  -7.121   4.304   1.112
  205    HB2  ARG  25           HB2      ARG  25  -5.718   5.452  -1.298
  206    HB3  ARG  25           HB1      ARG  25  -7.208   6.104  -0.628
  207    HG2  ARG  25           HG2      ARG  25  -6.066   6.556   1.479
  208    HG3  ARG  25           HG1      ARG  25  -4.573   5.892   0.816
  209    HD2  ARG  25           HD2      ARG  25  -4.542   7.629  -0.896
  210    HD3  ARG  25           HD1      ARG  25  -6.058   8.285  -0.277
  211    HE   ARG  25           HE       ARG  25  -4.546   8.443   1.892
  212   HH11  ARG  25          HH11      ARG  25  -2.679  10.537  -0.988
  213   HH12  ARG  25          HH12      ARG  25  -3.818   9.303  -1.421
  214   HH21  ARG  25          HH21      ARG  25  -2.253  10.983   1.232
  215   HH22  ARG  25          HH22      ARG  25  -3.065  10.079   2.471
  216    H    THR  26           HN       THR  26  -6.180   2.439  -1.648
  217    HA   THR  26           HA       THR  26  -8.645   2.628  -3.059
  218    HB   THR  26           HB       THR  26  -7.893   0.669  -4.333
  219    HG1  THR  26           HG1      THR  26  -5.548   0.658  -2.714
  220   HG21  THR  26          HG21      THR  26  -5.700   2.692  -3.879
  221   HG22  THR  26          HG22      THR  26  -7.068   2.874  -4.974
  222   HG23  THR  26          HG23      THR  26  -5.854   1.635  -5.283
  223    H    HIS  27           HN       HIS  27  -7.369   0.453  -0.599
  224    HA   HIS  27           HA       HIS  27  -9.668  -1.290  -0.725
  225    HB2  HIS  27           HB2      HIS  27  -7.444  -1.179   1.321
  226    HB3  HIS  27           HB1      HIS  27  -8.633  -2.465   1.163
  227    HD1  HIS  27           HD1      HIS  27  -8.511  -3.498  -1.565
  228    HD2  HIS  27           HD2      HIS  27  -5.118  -1.920   0.280
  229    HE1  HIS  27           HE1      HIS  27  -6.492  -4.475  -2.782
  230    H    THR  28           HN       THR  28  -8.613   1.467   1.095
  231    HA   THR  28           HA       THR  28 -10.543   1.136   3.200
  232    HB   THR  28           HB       THR  28  -8.957   3.622   2.542
  233    HG1  THR  28           HG1      THR  28  -7.333   2.244   2.877
  234   HG21  THR  28          HG21      THR  28 -10.097   2.562   5.134
  235   HG22  THR  28          HG22      THR  28 -10.744   3.909   4.198
  236   HG23  THR  28          HG23      THR  28  -9.155   4.042   4.953
  237    H    GLY  29           HN       GLY  29 -12.403   0.948   1.724
  238    HA2  GLY  29           HA2      GLY  29 -14.427   2.357   1.602
  239    HA3  GLY  29           HA1      GLY  29 -13.400   3.611   0.922
  240    H    GLU  30           HN       GLU  30 -15.345   3.310  -0.666
  241    HA   GLU  30           HA       GLU  30 -14.841   1.197  -2.598
  242    HB2  GLU  30           HB2      GLU  30 -17.171   1.818  -2.143
  243    HB3  GLU  30           HB1      GLU  30 -16.837   3.471  -2.638
  244    HG2  GLU  30           HG2      GLU  30 -16.455   2.787  -4.898
  245    HG3  GLU  30           HG1      GLU  30 -16.581   1.087  -4.449
  246    H    LYS  31           HN       LYS  31 -13.143   1.454  -3.855
  247    HA   LYS  31           HA       LYS  31 -11.478   2.367  -5.086
  248    HB2  LYS  31           HB2      LYS  31 -13.309   3.099  -6.566
  249    HB3  LYS  31           HB1      LYS  31 -13.491   4.566  -5.616
  250    HG2  LYS  31           HG2      LYS  31 -11.204   5.226  -6.233
  251    HG3  LYS  31           HG1      LYS  31 -11.076   3.778  -7.230
  252    HD2  LYS  31           HD2      LYS  31 -12.906   4.551  -8.625
  253    HD3  LYS  31           HD1      LYS  31 -13.113   5.970  -7.597
  254    HE2  LYS  31           HE2      LYS  31 -11.867   6.513  -9.630
  255    HE3  LYS  31           HE1      LYS  31 -10.880   6.742  -8.187
  256    HZ1  LYS  31           HZ1      LYS  31  -9.648   5.635  -9.944
  257    HZ2  LYS  31           HZ2      LYS  31 -10.782   4.383  -9.990
  258    HZ3  LYS  31           HZ3      LYS  31  -9.827   4.610  -8.612
  259    HN1  NH2  32           HN1      NH2  32 -10.692   2.582  -2.809
  260    HN2  NH2  32           HN2      NH2  32 -10.242   4.165  -2.264
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1  14.650  -1.203   2.640
    2    H2   ARG   1           HT2      ARG   1  15.370  -0.104   3.703
    3    H3   ARG   1           HT3      ARG   1  14.594   0.455   2.306
    4    HA   ARG   1           HA       ARG   1  13.306  -0.880   4.612
    5    HB2  ARG   1           HB2      ARG   1  13.974   1.416   5.105
    6    HB3  ARG   1           HB1      ARG   1  13.224   1.980   3.621
    7    HG2  ARG   1           HG2      ARG   1  11.843   2.519   5.521
    8    HG3  ARG   1           HG1      ARG   1  11.028   1.339   4.496
    9    HD2  ARG   1           HD2      ARG   1  11.678  -0.452   6.014
   10    HD3  ARG   1           HD1      ARG   1  12.551   0.703   7.023
   11    HE   ARG   1           HE       ARG   1  10.211   1.790   7.207
   12   HH11  ARG   1          HH11      ARG   1  10.870  -1.651   7.066
   13   HH12  ARG   1          HH12      ARG   1   9.451  -2.087   7.961
   14   HH21  ARG   1          HH21      ARG   1   8.019  -0.458   8.721
   15   HH22  ARG   1          HH22      ARG   1   8.347   1.213   8.394
   16    HA   PRO   2           HA       PRO   2  10.629  -1.558   0.987
   17    HB2  PRO   2           HB2      PRO   2  10.273  -4.191   1.262
   18    HB3  PRO   2           HB1      PRO   2  11.782  -3.531   0.611
   19    HG2  PRO   2           HG2      PRO   2  11.215  -4.675   3.295
   20    HG3  PRO   2           HG1      PRO   2  12.714  -4.704   2.353
   21    HD2  PRO   2           HD2      PRO   2  12.063  -2.934   4.472
   22    HD3  PRO   2           HD1      PRO   2  13.465  -2.829   3.389
   23    H    PHE   3           HN       PHE   3   8.416  -2.064   0.798
   24    HA   PHE   3           HA       PHE   3   6.939  -2.538   3.296
   25    HB2  PHE   3           HB2      PHE   3   6.417  -0.386   1.244
   26    HB3  PHE   3           HB1      PHE   3   5.222  -0.885   2.435
   27    HD1  PHE   3           HD1      PHE   3   8.410   0.806   1.893
   28    HD2  PHE   3           HD2      PHE   3   5.455  -0.287   4.749
   29    HE1  PHE   3           HE1      PHE   3   9.389   2.388   3.500
   30    HE2  PHE   3           HE2      PHE   3   6.425   1.292   6.365
   31    HZ   PHE   3           HZ       PHE   3   8.390   2.613   5.767
   32    H    NLE   4           HN       NLE   4   4.722  -3.341   2.886
   33    HA   NLE   4           HA       NLE   4   4.110  -4.264   0.224
   34    HB2  NLE   4           HB1      NLE   4   4.636  -6.245   2.437
   35    HB3  NLE   4           HB2      NLE   4   5.652  -6.000   1.026
   36    HG2  NLE   4           HG1      NLE   4   3.812  -6.736  -0.418
   37    HG3  NLE   4           HG2      NLE   4   2.815  -7.011   1.012
   38    HD2  NLE   4           HD1      NLE   4   4.400  -8.687   1.814
   39    HD3  NLE   4           HD2      NLE   4   5.427  -8.402   0.398
   40    HE1  NLE   4           HE1      NLE   4   2.581  -9.402   0.347
   41    HE2  NLE   4           HE2      NLE   4   4.025 -10.378   0.083
   42    HE3  NLE   4           HE3      NLE   4   3.597  -9.109  -1.064
   43    H    CYS   5           HN       CYS   5   1.979  -4.339  -0.075
   44    HA   CYS   5           HA       CYS   5   0.199  -3.915   2.154
   45    HB2  CYS   5           HB2      CYS   5  -0.349  -2.732   0.154
   46    HB3  CYS   5           HB1      CYS   5  -0.258  -4.199  -0.812
   47    H    THR   6           HN       THR   6  -1.308  -5.351   2.934
   48    HA   THR   6           HA       THR   6  -1.146  -8.112   1.951
   49    HB   THR   6           HB       THR   6  -1.199  -8.861   4.355
   50    HG1  THR   6           HG1      THR   6  -0.064  -6.764   5.486
   51   HG21  THR   6          HG21      THR   6   1.199  -7.262   3.445
   52   HG22  THR   6          HG22      THR   6   0.876  -8.961   3.095
   53   HG23  THR   6          HG23      THR   6   1.209  -8.448   4.749
   54    H    TRP   7           HN       TRP   7  -3.152  -5.851   1.809
   55    HA   TRP   7           HA       TRP   7  -5.311  -6.635   3.539
   56    HB2  TRP   7           HB2      TRP   7  -4.833  -4.281   2.623
   57    HB3  TRP   7           HB1      TRP   7  -5.540  -4.856   1.118
   58    HD1  TRP   7           HD1      TRP   7  -6.452  -3.650   4.570
   59    HE1  TRP   7           HE1      TRP   7  -9.005  -3.462   4.774
   60    HE3  TRP   7           HE3      TRP   7  -7.778  -6.014   0.239
   61    HZ2  TRP   7           HZ2      TRP   7 -11.286  -4.227   3.296
   62    HZ3  TRP   7           HZ3      TRP   7 -10.172  -6.251  -0.288
   63    HH2  TRP   7           HH2      TRP   7 -11.884  -5.376   1.208
   64    HA   DPR   8           HA       DPR   8  -8.054  -8.794   0.646
   65    HB2  DPR   8           HB2      DPR   8  -9.239 -10.176   2.019
   66    HB3  DPR   8           HB1      DPR   8  -7.784 -10.829   2.782
   67    HG2  DPR   8           HG2      DPR   8  -9.237  -8.274   3.345
   68    HG3  DPR   8           HG1      DPR   8  -8.551  -9.448   4.487
   69    HD2  DPR   8           HD2      DPR   8  -7.286  -7.150   3.883
   70    HD3  DPR   8           HD1      DPR   8  -6.394  -8.652   4.197
   71    H    GLY   9           HN       GLY   9  -7.139  -9.714  -1.078
   72    HA2  GLY   9           HA2      GLY   9  -5.050 -11.757  -0.638
   73    HA3  GLY   9           HA1      GLY   9  -6.156 -11.749  -2.009
   74    H    CYS  10           HN       CYS  10  -5.108  -8.698  -1.067
   75    HA   CYS  10           HA       CYS  10  -3.605  -8.364  -3.513
   76    HB2  CYS  10           HB2      CYS  10  -5.208  -6.667  -2.883
   77    HB3  CYS  10           HB1      CYS  10  -4.446  -6.469  -1.313
   78    H    GLY  11           HN       GLY  11  -1.416  -8.267  -3.665
   79    HA2  GLY  11           HA2      GLY  11   0.143  -8.024  -1.183
   80    HA3  GLY  11           HA1      GLY  11   0.412  -9.402  -2.239
   81    H    LYS  12           HN       LYS  12   0.043  -5.894  -2.667
   82    HA   LYS  12           HA       LYS  12   2.157  -5.895  -4.660
   83    HB2  LYS  12           HB2      LYS  12  -0.010  -4.573  -4.853
   84    HB3  LYS  12           HB1      LYS  12   0.627  -3.522  -3.597
   85    HG2  LYS  12           HG2      LYS  12   2.480  -2.894  -4.992
   86    HG3  LYS  12           HG1      LYS  12   1.974  -4.039  -6.239
   87    HD2  LYS  12           HD2      LYS  12  -0.206  -2.757  -6.340
   88    HD3  LYS  12           HD1      LYS  12   0.571  -1.530  -5.341
   89    HE2  LYS  12           HE2      LYS  12   0.714  -0.909  -7.677
   90    HE3  LYS  12           HE1      LYS  12   2.322  -1.278  -7.056
   91    HZ1  LYS  12           HZ1      LYS  12   2.261  -3.402  -8.111
   92    HZ2  LYS  12           HZ2      LYS  12   1.852  -2.241  -9.270
   93    HZ3  LYS  12           HZ3      LYS  12   0.647  -3.200  -8.570
   94    H    ARG  13           HN       ARG  13   4.184  -5.050  -4.367
   95    HA   ARG  13           HA       ARG  13   4.870  -4.363  -1.602
   96    HB2  ARG  13           HB2      ARG  13   6.598  -5.341  -3.871
   97    HB3  ARG  13           HB1      ARG  13   7.222  -4.839  -2.305
   98    HG2  ARG  13           HG2      ARG  13   5.808  -6.599  -1.255
   99    HG3  ARG  13           HG1      ARG  13   5.390  -7.153  -2.878
  100    HD2  ARG  13           HD2      ARG  13   7.210  -8.487  -1.982
  101    HD3  ARG  13           HD1      ARG  13   7.774  -7.519  -3.345
  102    HE   ARG  13           HE       ARG  13   8.204  -6.597  -0.583
  103   HH11  ARG  13          HH11      ARG  13  11.101  -7.089  -3.327
  104   HH12  ARG  13          HH12      ARG  13   9.494  -7.652  -3.662
  105   HH21  ARG  13          HH21      ARG  13  10.320  -5.880  -0.128
  106   HH22  ARG  13          HH22      ARG  13  11.571  -6.081  -1.316
  107    H    PHE  14           HN       PHE  14   6.300  -2.656  -1.154
  108    HA   PHE  14           HA       PHE  14   6.506  -0.581  -3.216
  109    HB2  PHE  14           HB2      PHE  14   5.427  -0.129  -0.428
  110    HB3  PHE  14           HB1      PHE  14   5.640   1.096  -1.678
  111    HD1  PHE  14           HD1      PHE  14   3.466  -1.336  -0.269
  112    HD2  PHE  14           HD2      PHE  14   4.296   0.854  -3.814
  113    HE1  PHE  14           HE1      PHE  14   1.180  -1.766  -1.062
  114    HE2  PHE  14           HE2      PHE  14   2.009   0.428  -4.615
  115    HZ   PHE  14           HZ       PHE  14   0.484  -0.948  -3.295
  116    H    THR  15           HN       THR  15   7.770   1.356  -2.183
  117    HA   THR  15           HA       THR  15  10.034   0.227  -0.667
  118    HB   THR  15           HB       THR  15  11.337   2.122  -1.894
  119    HG1  THR  15           HG1      THR  15   9.004   2.588  -2.913
  120   HG21  THR  15          HG21      THR  15  11.793  -0.248  -2.233
  121   HG22  THR  15          HG22      THR  15  11.824   0.600  -3.780
  122   HG23  THR  15          HG23      THR  15  10.423  -0.374  -3.337
  123    H    ARG  16           HN       ARG  16   7.752   2.799  -0.999
  124    HA   ARG  16           HA       ARG  16   8.786   3.924   1.513
  125    HB2  ARG  16           HB2      ARG  16   7.576   5.384  -0.840
  126    HB3  ARG  16           HB1      ARG  16   7.758   6.114   0.749
  127    HG2  ARG  16           HG2      ARG  16  10.188   5.755   0.601
  128    HG3  ARG  16           HG1      ARG  16   9.969   5.105  -1.024
  129    HD2  ARG  16           HD2      ARG  16  10.659   7.481  -1.010
  130    HD3  ARG  16           HD1      ARG  16   9.106   7.216  -1.798
  131    HE   ARG  16           HE       ARG  16   8.240   7.869   0.589
  132   HH11  ARG  16          HH11      ARG  16  10.896   9.322  -1.193
  133   HH12  ARG  16          HH12      ARG  16  10.700  10.873  -0.445
  134   HH21  ARG  16          HH21      ARG  16   7.977   9.901   1.546
  135   HH22  ARG  16          HH22      ARG  16   9.043  11.206   1.118
  136    H    SER  17           HN       SER  17   7.266   4.510   3.052
  137    HA   SER  17           HA       SER  17   4.899   3.004   3.148
  138    HB2  SER  17           HB2      SER  17   4.378   4.457   5.148
  139    HB3  SER  17           HB1      SER  17   5.953   3.663   5.201
  140    HG   SER  17           HG       SER  17   5.378   6.284   5.285
  141    H    ASP  18           HN       ASP  18   5.627   6.152   1.924
  142    HA   ASP  18           HA       ASP  18   3.078   7.304   1.805
  143    HB2  ASP  18           HB2      ASP  18   5.257   7.583  -0.277
  144    HB3  ASP  18           HB1      ASP  18   3.969   8.732   0.074
  145    H    GLU  19           HN       GLU  19   4.743   5.124  -0.405
  146    HA   GLU  19           HA       GLU  19   2.789   5.036  -2.420
  147    HB2  GLU  19           HB2      GLU  19   4.787   2.944  -1.566
  148    HB3  GLU  19           HB1      GLU  19   3.866   2.897  -3.055
  149    HG2  GLU  19           HG2      GLU  19   4.987   4.896  -3.841
  150    HG3  GLU  19           HG1      GLU  19   5.867   5.021  -2.317
  151    H    LEU  20           HN       LEU  20   3.379   3.054   0.438
  152    HA   LEU  20           HA       LEU  20   1.262   1.237   0.019
  153    HB2  LEU  20           HB2      LEU  20   3.113   0.705   1.480
  154    HB3  LEU  20           HB1      LEU  20   2.710   2.042   2.537
  155    HG   LEU  20           HG       LEU  20   0.632   0.917   3.190
  156   HD11  LEU  20          HD11      LEU  20   0.255  -1.418   2.521
  157   HD12  LEU  20          HD12      LEU  20   1.606  -1.297   1.395
  158   HD13  LEU  20          HD13      LEU  20   0.167  -0.306   1.155
  159   HD21  LEU  20          HD21      LEU  20   2.694   0.539   4.467
  160   HD22  LEU  20          HD22      LEU  20   3.059  -0.857   3.449
  161   HD23  LEU  20          HD23      LEU  20   1.635  -0.870   4.491
  162    H    GLN  21           HN       GLN  21   1.445   4.333   1.715
  163    HA   GLN  21           HA       GLN  21  -1.096   4.198   2.940
  164    HB2  GLN  21           HB2      GLN  21   0.600   6.572   2.152
  165    HB3  GLN  21           HB1      GLN  21  -0.899   6.708   3.060
  166    HG2  GLN  21           HG2      GLN  21   0.047   5.409   4.872
  167    HG3  GLN  21           HG1      GLN  21   1.536   5.180   3.955
  168   HE21  GLN  21          HE21      GLN  21  -0.365   7.385   5.829
  169   HE22  GLN  21          HE22      GLN  21   0.841   8.616   5.976
  170    H    ARG  22           HN       ARG  22  -0.054   5.846  -0.054
  171    HA   ARG  22           HA       ARG  22  -2.629   6.738  -0.758
  172    HB2  ARG  22           HB2      ARG  22  -1.722   7.201  -2.950
  173    HB3  ARG  22           HB1      ARG  22  -0.540   7.650  -1.732
  174    HG2  ARG  22           HG2      ARG  22   0.611   5.487  -2.143
  175    HG3  ARG  22           HG1      ARG  22  -0.518   5.195  -3.467
  176    HD2  ARG  22           HD2      ARG  22   0.244   7.314  -4.519
  177    HD3  ARG  22           HD1      ARG  22   1.443   7.479  -3.236
  178    HE   ARG  22           HE       ARG  22   1.501   5.004  -4.768
  179   HH11  ARG  22          HH11      ARG  22   4.323   7.843  -5.105
  180   HH12  ARG  22          HH12      ARG  22   2.855   8.190  -4.245
  181   HH21  ARG  22          HH21      ARG  22   3.424   4.551  -5.900
  182   HH22  ARG  22          HH22      ARG  22   4.648   5.774  -6.044
  183    H    HIS  23           HN       HIS  23  -0.868   3.781  -1.489
  184    HA   HIS  23           HA       HIS  23  -2.719   2.677  -3.289
  185    HB2  HIS  23           HB2      HIS  23  -0.557   1.708  -3.222
  186    HB3  HIS  23           HB1      HIS  23  -0.637   1.458  -1.484
  187    HD1  HIS  23           HD1      HIS  23  -1.539  -0.160  -4.731
  188    HD2  HIS  23           HD2      HIS  23  -2.204  -0.717  -0.649
  189    HE1  HIS  23           HE1      HIS  23  -2.563  -2.478  -4.467
  190    H    LYS  24           HN       LYS  24  -2.342   2.281   0.222
  191    HA   LYS  24           HA       LYS  24  -4.331   0.353   0.569
  192    HB2  LYS  24           HB2      LYS  24  -2.575   0.944   2.225
  193    HB3  LYS  24           HB1      LYS  24  -3.438   2.438   2.560
  194    HG2  LYS  24           HG2      LYS  24  -5.342   1.190   3.386
  195    HG3  LYS  24           HG1      LYS  24  -4.547  -0.329   2.969
  196    HD2  LYS  24           HD2      LYS  24  -4.335   0.139   5.352
  197    HD3  LYS  24           HD1      LYS  24  -2.759   0.164   4.561
  198    HE2  LYS  24           HE2      LYS  24  -2.863   2.622   4.475
  199    HE3  LYS  24           HE1      LYS  24  -4.417   2.575   5.305
  200    HZ1  LYS  24           HZ1      LYS  24  -3.343   1.571   7.206
  201    HZ2  LYS  24           HZ2      LYS  24  -2.585   3.031   6.818
  202    HZ3  LYS  24           HZ3      LYS  24  -1.853   1.566   6.405
  203    H    ARG  25           HN       ARG  25  -4.584   3.752   0.050
  204    HA   ARG  25           HA       ARG  25  -7.091   4.247   1.202
  205    HB2  ARG  25           HB2      ARG  25  -5.744   5.502  -1.183
  206    HB3  ARG  25           HB1      ARG  25  -7.235   6.111  -0.479
  207    HG2  ARG  25           HG2      ARG  25  -6.015   6.395   1.671
  208    HG3  ARG  25           HG1      ARG  25  -4.535   5.950   0.821
  209    HD2  ARG  25           HD2      ARG  25  -4.858   7.838  -0.720
  210    HD3  ARG  25           HD1      ARG  25  -6.317   8.297   0.160
  211    HE   ARG  25           HE       ARG  25  -3.835   8.138   1.680
  212   HH11  ARG  25          HH11      ARG  25  -5.712  11.605   0.897
  213   HH12  ARG  25          HH12      ARG  25  -6.201  10.164   0.068
  214   HH21  ARG  25          HH21      ARG  25  -4.006  11.532   2.434
  215   HH22  ARG  25          HH22      ARG  25  -3.197  10.035   2.761
  216    H    THR  26           HN       THR  26  -6.247   2.428  -1.602
  217    HA   THR  26           HA       THR  26  -8.769   2.620  -2.927
  218    HB   THR  26           HB       THR  26  -8.049   0.618  -4.191
  219    HG1  THR  26           HG1      THR  26  -5.593   0.727  -2.765
  220   HG21  THR  26          HG21      THR  26  -7.335   2.798  -4.976
  221   HG22  THR  26          HG22      THR  26  -6.061   1.613  -5.252
  222   HG23  THR  26          HG23      THR  26  -5.932   2.751  -3.911
  223    H    HIS  27           HN       HIS  27  -7.393   0.530  -0.475
  224    HA   HIS  27           HA       HIS  27  -9.693  -1.233  -0.445
  225    HB2  HIS  27           HB2      HIS  27  -7.403  -1.068   1.524
  226    HB3  HIS  27           HB1      HIS  27  -8.560  -2.381   1.372
  227    HD1  HIS  27           HD1      HIS  27  -8.402  -3.387  -1.395
  228    HD2  HIS  27           HD2      HIS  27  -5.077  -1.788   0.539
  229    HE1  HIS  27           HE1      HIS  27  -6.349  -4.368  -2.544
  230    H    THR  28           HN       THR  28  -8.207   1.207   1.646
  231    HA   THR  28           HA       THR  28 -10.585   1.161   3.363
  232    HB   THR  28           HB       THR  28  -7.921   2.470   3.937
  233    HG1  THR  28           HG1      THR  28  -8.322  -0.070   3.687
  234   HG21  THR  28          HG21      THR  28  -8.670   2.375   6.261
  235   HG22  THR  28          HG22      THR  28 -10.180   1.617   5.756
  236   HG23  THR  28          HG23      THR  28  -9.823   3.276   5.275
  237    H    GLY  29           HN       GLY  29 -11.873   2.398   1.926
  238    HA2  GLY  29           HA2      GLY  29 -11.675   5.218   2.343
  239    HA3  GLY  29           HA1      GLY  29 -11.328   4.760   0.680
  240    H    GLU  30           HN       GLU  30 -13.275   6.081   0.239
  241    HA   GLU  30           HA       GLU  30 -15.802   4.939   1.076
  242    HB2  GLU  30           HB2      GLU  30 -15.490   7.403   0.923
  243    HB3  GLU  30           HB1      GLU  30 -15.280   7.239  -0.814
  244    HG2  GLU  30           HG2      GLU  30 -17.535   6.453  -1.067
  245    HG3  GLU  30           HG1      GLU  30 -17.761   6.428   0.682
  246    H    LYS  31           HN       LYS  31 -15.438   2.868   0.066
  247    HA   LYS  31           HA       LYS  31 -16.306   2.901  -2.736
  248    HB2  LYS  31           HB2      LYS  31 -13.846   2.484  -2.628
  249    HB3  LYS  31           HB1      LYS  31 -14.168   1.055  -1.662
  250    HG2  LYS  31           HG2      LYS  31 -15.458   0.110  -3.536
  251    HG3  LYS  31           HG1      LYS  31 -15.042   1.525  -4.502
  252    HD2  LYS  31           HD2      LYS  31 -13.094  -0.459  -3.323
  253    HD3  LYS  31           HD1      LYS  31 -13.573  -0.358  -5.018
  254    HE2  LYS  31           HE2      LYS  31 -12.106   1.761  -3.446
  255    HE3  LYS  31           HE1      LYS  31 -11.406   0.699  -4.665
  256    HZ1  LYS  31           HZ1      LYS  31 -13.505   2.746  -5.139
  257    HZ2  LYS  31           HZ2      LYS  31 -12.871   1.710  -6.313
  258    HZ3  LYS  31           HZ3      LYS  31 -11.878   2.867  -5.584
  259    HN1  NH2  32           HN1      NH2  32 -15.367   0.205  -0.674
  260    HN2  NH2  32           HN2      NH2  32 -16.949  -0.475  -0.516
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1  14.055  -1.671   6.641
    2    H2   ARG   1           HT2      ARG   1  13.371  -0.547   5.579
    3    H3   ARG   1           HT3      ARG   1  14.130  -1.926   4.973
    4    HA   ARG   1           HA       ARG   1  12.473  -3.342   5.907
    5    HB2  ARG   1           HB2      ARG   1  11.980  -2.016   7.897
    6    HB3  ARG   1           HB1      ARG   1  11.266  -0.755   6.904
    7    HG2  ARG   1           HG2      ARG   1   9.488  -2.261   6.225
    8    HG3  ARG   1           HG1      ARG   1  10.221  -3.568   7.156
    9    HD2  ARG   1           HD2      ARG   1   9.899  -2.283   9.216
   10    HD3  ARG   1           HD1      ARG   1   9.179  -0.969   8.285
   11    HE   ARG   1           HE       ARG   1   7.792  -3.385   7.796
   12   HH11  ARG   1          HH11      ARG   1   8.255  -0.969  10.279
   13   HH12  ARG   1          HH12      ARG   1   6.682  -1.194  10.973
   14   HH21  ARG   1          HH21      ARG   1   5.229  -2.744  10.075
   15   HH22  ARG   1          HH22      ARG   1   5.714  -3.695   8.709
   16    HA   PRO   2           HA       PRO   2  10.654  -2.215   1.927
   17    HB2  PRO   2           HB2      PRO   2   9.997  -4.725   1.189
   18    HB3  PRO   2           HB1      PRO   2  11.654  -4.112   1.066
   19    HG2  PRO   2           HG2      PRO   2  10.436  -5.889   3.132
   20    HG3  PRO   2           HG1      PRO   2  12.043  -5.971   2.390
   21    HD2  PRO   2           HD2      PRO   2  11.532  -4.903   4.877
   22    HD3  PRO   2           HD1      PRO   2  12.926  -4.461   3.871
   23    H    PHE   3           HN       PHE   3   8.524  -1.970   1.290
   24    HA   PHE   3           HA       PHE   3   6.579  -2.529   3.409
   25    HB2  PHE   3           HB2      PHE   3   6.500  -0.576   1.102
   26    HB3  PHE   3           HB1      PHE   3   5.208  -0.787   2.278
   27    HD1  PHE   3           HD1      PHE   3   8.521   0.558   1.666
   28    HD2  PHE   3           HD2      PHE   3   5.491  -0.061   4.583
   29    HE1  PHE   3           HE1      PHE   3   9.608   2.201   3.135
   30    HE2  PHE   3           HE2      PHE   3   6.568   1.579   6.059
   31    HZ   PHE   3           HZ       PHE   3   8.656   2.668   5.373
   32    H    NLE   4           HN       NLE   4   4.524  -3.388   2.922
   33    HA   NLE   4           HA       NLE   4   3.992  -4.422   0.287
   34    HB2  NLE   4           HB1      NLE   4   4.472  -6.316   2.587
   35    HB3  NLE   4           HB2      NLE   4   5.557  -6.090   1.226
   36    HG2  NLE   4           HG1      NLE   4   3.813  -6.922  -0.287
   37    HG3  NLE   4           HG2      NLE   4   2.754  -7.185   1.103
   38    HD2  NLE   4           HD1      NLE   4   4.369  -8.766   2.042
   39    HD3  NLE   4           HD2      NLE   4   5.435  -8.508   0.651
   40    HE1  NLE   4           HE1      NLE   4   2.626  -9.602   0.553
   41    HE2  NLE   4           HE2      NLE   4   4.111 -10.539   0.375
   42    HE3  NLE   4           HE3      NLE   4   3.677  -9.333  -0.837
   43    H    CYS   5           HN       CYS   5   1.861  -4.661  -0.041
   44    HA   CYS   5           HA       CYS   5   0.011  -3.889   1.983
   45    HB2  CYS   5           HB2      CYS   5  -0.396  -3.392  -0.385
   46    HB3  CYS   5           HB1      CYS   5  -0.458  -5.114  -0.745
   47    H    THR   6           HN       THR   6  -1.291  -5.111   3.236
   48    HA   THR   6           HA       THR   6  -0.815  -8.014   3.168
   49    HB   THR   6           HB       THR   6  -1.438  -7.896   5.630
   50    HG1  THR   6           HG1      THR   6  -1.637  -5.957   6.561
   51   HG21  THR   6          HG21      THR   6   0.868  -8.188   4.920
   52   HG22  THR   6          HG22      THR   6   0.799  -7.106   6.310
   53   HG23  THR   6          HG23      THR   6   1.040  -6.449   4.689
   54    H    TRP   7           HN       TRP   7  -3.009  -6.059   2.065
   55    HA   TRP   7           HA       TRP   7  -5.386  -7.002   3.407
   56    HB2  TRP   7           HB2      TRP   7  -5.182  -4.689   2.492
   57    HB3  TRP   7           HB1      TRP   7  -5.121  -5.369   0.871
   58    HD1  TRP   7           HD1      TRP   7  -7.537  -4.495   3.657
   59    HE1  TRP   7           HE1      TRP   7  -9.948  -4.790   2.816
   60    HE3  TRP   7           HE3      TRP   7  -6.559  -6.835  -0.779
   61    HZ2  TRP   7           HZ2      TRP   7 -11.258  -5.868   0.558
   62    HZ3  TRP   7           HZ3      TRP   7  -8.446  -7.467  -2.218
   63    HH2  TRP   7           HH2      TRP   7 -10.746  -6.995  -1.563
   64    HA   DPR   8           HA       DPR   8  -7.211  -9.852   0.447
   65    HB2  DPR   8           HB2      DPR   8  -7.948 -11.583   1.767
   66    HB3  DPR   8           HB1      DPR   8  -6.414 -11.712   2.637
   67    HG2  DPR   8           HG2      DPR   8  -8.632  -9.729   2.993
   68    HG3  DPR   8           HG1      DPR   8  -7.708 -10.606   4.229
   69    HD2  DPR   8           HD2      DPR   8  -7.171  -8.035   3.554
   70    HD3  DPR   8           HD1      DPR   8  -5.913  -9.168   4.087
   71    H    GLY   9           HN       GLY   9  -6.232 -10.777  -1.232
   72    HA2  GLY   9           HA2      GLY   9  -3.621 -12.077  -0.840
   73    HA3  GLY   9           HA1      GLY   9  -4.701 -12.343  -2.207
   74    H    CYS  10           HN       CYS  10  -4.321  -9.132  -1.130
   75    HA   CYS  10           HA       CYS  10  -3.127  -8.389  -3.656
   76    HB2  CYS  10           HB2      CYS  10  -5.037  -7.138  -2.775
   77    HB3  CYS  10           HB1      CYS  10  -4.131  -6.745  -1.321
   78    H    GLY  11           HN       GLY  11  -1.096  -9.541  -3.062
   79    HA2  GLY  11           HA2      GLY  11   0.539  -8.327  -0.993
   80    HA3  GLY  11           HA1      GLY  11   0.965  -9.709  -1.990
   81    H    LYS  12           HN       LYS  12   0.263  -6.240  -2.423
   82    HA   LYS  12           HA       LYS  12   2.327  -6.121  -4.486
   83    HB2  LYS  12           HB2      LYS  12   0.104  -5.054  -4.871
   84    HB3  LYS  12           HB1      LYS  12   0.442  -3.949  -3.546
   85    HG2  LYS  12           HG2      LYS  12   2.274  -2.979  -4.733
   86    HG3  LYS  12           HG1      LYS  12   2.144  -4.184  -6.017
   87    HD2  LYS  12           HD2      LYS  12  -0.093  -3.332  -6.575
   88    HD3  LYS  12           HD1      LYS  12   0.060  -2.115  -5.309
   89    HE2  LYS  12           HE2      LYS  12   1.957  -1.120  -6.467
   90    HE3  LYS  12           HE1      LYS  12   1.874  -2.372  -7.708
   91    HZ1  LYS  12           HZ1      LYS  12  -0.258  -0.390  -7.126
   92    HZ2  LYS  12           HZ2      LYS  12  -0.297  -1.560  -8.344
   93    HZ3  LYS  12           HZ3      LYS  12   0.829  -0.302  -8.418
   94    H    ARG  13           HN       ARG  13   4.290  -5.262  -4.163
   95    HA   ARG  13           HA       ARG  13   4.893  -4.378  -1.438
   96    HB2  ARG  13           HB2      ARG  13   6.690  -5.381  -3.641
   97    HB3  ARG  13           HB1      ARG  13   7.256  -4.848  -2.064
   98    HG2  ARG  13           HG2      ARG  13   6.060  -6.624  -0.976
   99    HG3  ARG  13           HG1      ARG  13   5.321  -7.109  -2.504
  100    HD2  ARG  13           HD2      ARG  13   8.269  -7.161  -1.877
  101    HD3  ARG  13           HD1      ARG  13   7.201  -8.566  -1.902
  102    HE   ARG  13           HE       ARG  13   6.860  -7.538  -4.363
  103   HH11  ARG  13          HH11      ARG  13  10.690  -8.675  -3.929
  104   HH12  ARG  13          HH12      ARG  13   9.732  -8.317  -2.528
  105   HH21  ARG  13          HH21      ARG  13   8.117  -7.985  -6.218
  106   HH22  ARG  13          HH22      ARG  13   9.770  -8.476  -6.032
  107    H    PHE  14           HN       PHE  14   6.144  -2.566  -1.003
  108    HA   PHE  14           HA       PHE  14   6.473  -0.624  -3.181
  109    HB2  PHE  14           HB2      PHE  14   5.183  -0.071  -0.502
  110    HB3  PHE  14           HB1      PHE  14   5.583   1.156  -1.702
  111    HD1  PHE  14           HD1      PHE  14   3.309  -1.504  -0.769
  112    HD2  PHE  14           HD2      PHE  14   4.347   1.299  -3.787
  113    HE1  PHE  14           HE1      PHE  14   1.107  -1.822  -1.815
  114    HE2  PHE  14           HE2      PHE  14   2.149   0.988  -4.840
  115    HZ   PHE  14           HZ       PHE  14   0.578  -0.666  -3.923
  116    H    THR  15           HN       THR  15   7.942   1.134  -2.622
  117    HA   THR  15           HA       THR  15   9.956   0.276  -0.650
  118    HB   THR  15           HB       THR  15  10.420   2.154  -2.971
  119    HG1  THR  15           HG1      THR  15  10.184  -0.629  -2.892
  120   HG21  THR  15          HG21      THR  15  12.756   1.489  -2.694
  121   HG22  THR  15          HG22      THR  15  12.305   0.392  -1.390
  122   HG23  THR  15          HG23      THR  15  12.121   2.132  -1.179
  123    H    ARG  16           HN       ARG  16   7.517   2.455  -1.153
  124    HA   ARG  16           HA       ARG  16   8.694   4.362   0.753
  125    HB2  ARG  16           HB2      ARG  16   6.838   4.936  -1.564
  126    HB3  ARG  16           HB1      ARG  16   7.230   6.101  -0.308
  127    HG2  ARG  16           HG2      ARG  16   9.590   5.980  -0.957
  128    HG3  ARG  16           HG1      ARG  16   9.160   4.849  -2.243
  129    HD2  ARG  16           HD2      ARG  16   9.386   7.156  -3.072
  130    HD3  ARG  16           HD1      ARG  16   7.754   6.524  -3.282
  131    HE   ARG  16           HE       ARG  16   8.212   8.066  -0.870
  132   HH11  ARG  16          HH11      ARG  16   7.107   8.087  -4.190
  133   HH12  ARG  16          HH12      ARG  16   6.157   9.524  -3.997
  134   HH21  ARG  16          HH21      ARG  16   6.948   9.954  -0.610
  135   HH22  ARG  16          HH22      ARG  16   6.059  10.584  -1.959
  136    H    SER  17           HN       SER  17   7.500   4.844   2.507
  137    HA   SER  17           HA       SER  17   5.363   3.152   3.246
  138    HB2  SER  17           HB2      SER  17   5.219   4.652   5.244
  139    HB3  SER  17           HB1      SER  17   6.853   4.069   4.923
  140    HG   SER  17           HG       SER  17   5.839   6.632   4.837
  141    H    ASP  18           HN       ASP  18   5.517   6.483   2.106
  142    HA   ASP  18           HA       ASP  18   2.769   7.069   2.468
  143    HB2  ASP  18           HB2      ASP  18   4.453   8.832   2.171
  144    HB3  ASP  18           HB1      ASP  18   4.723   8.300   0.513
  145    H    GLU  19           HN       GLU  19   4.551   5.507  -0.096
  146    HA   GLU  19           HA       GLU  19   2.458   5.581  -2.009
  147    HB2  GLU  19           HB2      GLU  19   4.988   4.005  -1.752
  148    HB3  GLU  19           HB1      GLU  19   3.799   3.580  -2.973
  149    HG2  GLU  19           HG2      GLU  19   5.072   6.289  -2.673
  150    HG3  GLU  19           HG1      GLU  19   5.551   5.060  -3.844
  151    H    LEU  20           HN       LEU  20   3.427   3.274   0.478
  152    HA   LEU  20           HA       LEU  20   1.452   1.341  -0.137
  153    HB2  LEU  20           HB2      LEU  20   3.291   0.742   1.283
  154    HB3  LEU  20           HB1      LEU  20   2.866   1.982   2.448
  155    HG   LEU  20           HG       LEU  20   0.801   0.757   2.993
  156   HD11  LEU  20          HD11      LEU  20   0.511  -1.542   2.172
  157   HD12  LEU  20          HD12      LEU  20   1.861  -1.299   1.063
  158   HD13  LEU  20          HD13      LEU  20   0.387  -0.345   0.884
  159   HD21  LEU  20          HD21      LEU  20   2.888   0.357   4.247
  160   HD22  LEU  20          HD22      LEU  20   3.249  -0.989   3.166
  161   HD23  LEU  20          HD23      LEU  20   1.830  -1.053   4.208
  162    H    GLN  21           HN       GLN  21   1.459   4.161   2.020
  163    HA   GLN  21           HA       GLN  21  -1.132   3.883   3.054
  164    HB2  GLN  21           HB2      GLN  21   0.407   6.403   2.406
  165    HB3  GLN  21           HB1      GLN  21  -1.076   6.362   3.345
  166    HG2  GLN  21           HG2      GLN  21   0.077   4.944   5.013
  167    HG3  GLN  21           HG1      GLN  21   1.566   5.131   4.089
  168   HE21  GLN  21          HE21      GLN  21   0.876   7.903   3.361
  169   HE22  GLN  21          HE22      GLN  21   1.182   8.843   4.779
  170    H    ARG  22           HN       ARG  22   0.022   5.708   0.269
  171    HA   ARG  22           HA       ARG  22  -2.335   6.642  -0.806
  172    HB2  ARG  22           HB2      ARG  22  -0.123   7.263  -1.624
  173    HB3  ARG  22           HB1      ARG  22   0.150   5.630  -2.203
  174    HG2  ARG  22           HG2      ARG  22  -1.673   5.922  -3.824
  175    HG3  ARG  22           HG1      ARG  22  -1.873   7.587  -3.263
  176    HD2  ARG  22           HD2      ARG  22   0.426   8.092  -3.900
  177    HD3  ARG  22           HD1      ARG  22   0.664   6.425  -4.416
  178    HE   ARG  22           HE       ARG  22  -1.521   7.606  -5.787
  179   HH11  ARG  22          HH11      ARG  22   2.176   7.983  -7.316
  180   HH12  ARG  22          HH12      ARG  22   1.974   7.537  -5.647
  181   HH21  ARG  22          HH21      ARG  22  -1.267   8.185  -7.986
  182   HH22  ARG  22          HH22      ARG  22   0.330   8.353  -8.647
  183    H    HIS  23           HN       HIS  23  -0.705   3.568  -1.454
  184    HA   HIS  23           HA       HIS  23  -2.545   2.496  -3.234
  185    HB2  HIS  23           HB2      HIS  23  -0.417   1.454  -3.010
  186    HB3  HIS  23           HB1      HIS  23  -0.644   1.210  -1.283
  187    HD1  HIS  23           HD1      HIS  23  -1.451  -0.324  -4.609
  188    HD2  HIS  23           HD2      HIS  23  -2.307  -0.919  -0.569
  189    HE1  HIS  23           HE1      HIS  23  -2.536  -2.620  -4.423
  190    H    LYS  24           HN       LYS  24  -2.359   2.137   0.300
  191    HA   LYS  24           HA       LYS  24  -4.455   0.329   0.581
  192    HB2  LYS  24           HB2      LYS  24  -2.872   0.732   2.372
  193    HB3  LYS  24           HB1      LYS  24  -3.414   2.397   2.524
  194    HG2  LYS  24           HG2      LYS  24  -4.317   1.059   4.315
  195    HG3  LYS  24           HG1      LYS  24  -5.615   1.605   3.259
  196    HD2  LYS  24           HD2      LYS  24  -6.043  -0.674   3.794
  197    HD3  LYS  24           HD1      LYS  24  -5.506  -0.626   2.120
  198    HE2  LYS  24           HE2      LYS  24  -4.417  -2.470   3.184
  199    HE3  LYS  24           HE1      LYS  24  -3.210  -1.213   2.925
  200    HZ1  LYS  24           HZ1      LYS  24  -3.078  -2.230   5.137
  201    HZ2  LYS  24           HZ2      LYS  24  -4.639  -1.683   5.485
  202    HZ3  LYS  24           HZ3      LYS  24  -3.392  -0.572   5.222
  203    H    ARG  25           HN       ARG  25  -4.533   3.742   0.013
  204    HA   ARG  25           HA       ARG  25  -7.046   4.394   1.031
  205    HB2  ARG  25           HB2      ARG  25  -5.667   5.470  -1.429
  206    HB3  ARG  25           HB1      ARG  25  -7.059   6.213  -0.651
  207    HG2  ARG  25           HG2      ARG  25  -5.725   6.487   1.397
  208    HG3  ARG  25           HG1      ARG  25  -4.333   5.814   0.551
  209    HD2  ARG  25           HD2      ARG  25  -4.187   8.227   0.539
  210    HD3  ARG  25           HD1      ARG  25  -4.483   7.645  -1.099
  211    HE   ARG  25           HE       ARG  25  -6.972   8.182  -0.186
  212   HH11  ARG  25          HH11      ARG  25  -4.817  11.567  -0.407
  213   HH12  ARG  25          HH12      ARG  25  -4.014  10.040  -0.239
  214   HH21  ARG  25          HH21      ARG  25  -7.109  11.655  -0.498
  215   HH22  ARG  25          HH22      ARG  25  -8.046  10.197  -0.397
  216    H    THR  26           HN       THR  26  -6.199   2.506  -1.746
  217    HA   THR  26           HA       THR  26  -8.694   2.756  -3.104
  218    HB   THR  26           HB       THR  26  -7.964   0.799  -4.415
  219    HG1  THR  26           HG1      THR  26  -5.533   0.815  -2.947
  220   HG21  THR  26          HG21      THR  26  -7.205   3.014  -5.080
  221   HG22  THR  26          HG22      THR  26  -5.952   1.814  -5.395
  222   HG23  THR  26          HG23      THR  26  -5.820   2.880  -3.998
  223    H    HIS  27           HN       HIS  27  -7.389   0.571  -0.674
  224    HA   HIS  27           HA       HIS  27  -9.672  -1.179  -0.745
  225    HB2  HIS  27           HB2      HIS  27  -7.487  -0.935   1.339
  226    HB3  HIS  27           HB1      HIS  27  -8.672  -2.228   1.252
  227    HD1  HIS  27           HD1      HIS  27  -8.507  -3.328  -1.508
  228    HD2  HIS  27           HD2      HIS  27  -5.150  -1.863   0.490
  229    HE1  HIS  27           HE1      HIS  27  -6.472  -4.411  -2.597
  230    H    THR  28           HN       THR  28  -8.557   1.565   1.100
  231    HA   THR  28           HA       THR  28  -9.688   3.108   2.330
  232    HB   THR  28           HB       THR  28 -12.173   1.463   1.843
  233    HG1  THR  28           HG1      THR  28 -10.764   3.308   0.291
  234   HG21  THR  28          HG21      THR  28 -12.406   3.012   3.719
  235   HG22  THR  28          HG22      THR  28 -13.360   3.560   2.340
  236   HG23  THR  28          HG23      THR  28 -11.821   4.336   2.712
  237    H    GLY  29           HN       GLY  29 -11.018  -0.120   3.059
  238    HA2  GLY  29           HA2      GLY  29 -10.206   0.314   5.859
  239    HA3  GLY  29           HA1      GLY  29 -11.808  -0.299   5.475
  240    H    GLU  30           HN       GLU  30 -10.363  -1.805   7.112
  241    HA   GLU  30           HA       GLU  30  -8.742  -3.724   5.735
  242    HB2  GLU  30           HB2      GLU  30  -8.448  -3.130   8.143
  243    HB3  GLU  30           HB1      GLU  30  -9.981  -3.914   8.486
  244    HG2  GLU  30           HG2      GLU  30  -8.096  -5.342   9.039
  245    HG3  GLU  30           HG1      GLU  30  -9.087  -6.043   7.762
  246    H    LYS  31           HN       LYS  31 -11.708  -4.230   7.621
  247    HA   LYS  31           HA       LYS  31 -13.456  -5.663   7.396
  248    HB2  LYS  31           HB2      LYS  31 -12.973  -5.116   4.467
  249    HB3  LYS  31           HB1      LYS  31 -14.416  -5.870   5.125
  250    HG2  LYS  31           HG2      LYS  31 -14.918  -3.838   6.377
  251    HG3  LYS  31           HG1      LYS  31 -13.460  -3.081   5.731
  252    HD2  LYS  31           HD2      LYS  31 -14.348  -3.316   3.463
  253    HD3  LYS  31           HD1      LYS  31 -15.804  -4.070   4.110
  254    HE2  LYS  31           HE2      LYS  31 -16.327  -2.024   5.334
  255    HE3  LYS  31           HE1      LYS  31 -14.860  -1.269   4.713
  256    HZ1  LYS  31           HZ1      LYS  31 -15.739  -1.462   2.482
  257    HZ2  LYS  31           HZ2      LYS  31 -16.822  -0.608   3.459
  258    HZ3  LYS  31           HZ3      LYS  31 -17.134  -2.221   3.060
  259    HN1  NH2  32           HN1      NH2  32 -12.029  -7.331   8.227
  260    HN2  NH2  32           HN2      NH2  32 -11.656  -8.696   7.230
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1  15.155   0.604   2.669
    2    H2   ARG   1           HT2      ARG   1  13.876   1.320   1.832
    3    H3   ARG   1           HT3      ARG   1  14.541  -0.130   1.276
    4    HA   ARG   1           HA       ARG   1  13.786  -1.272   3.242
    5    HB2  ARG   1           HB2      ARG   1  13.860   0.619   4.782
    6    HB3  ARG   1           HB1      ARG   1  12.564   1.415   3.902
    7    HG2  ARG   1           HG2      ARG   1  11.006  -0.308   4.550
    8    HG3  ARG   1           HG1      ARG   1  12.300  -1.213   5.341
    9    HD2  ARG   1           HD2      ARG   1  11.350   1.546   6.109
   10    HD3  ARG   1           HD1      ARG   1  10.976   0.052   6.970
   11    HE   ARG   1           HE       ARG   1  13.722   0.164   6.850
   12   HH11  ARG   1          HH11      ARG   1  11.177   2.181   8.155
   13   HH12  ARG   1          HH12      ARG   1  12.178   2.840   9.409
   14   HH21  ARG   1          HH21      ARG   1  14.372   2.187   9.597
   15   HH22  ARG   1          HH22      ARG   1  15.041   1.042   8.478
   16    HA   PRO   2           HA       PRO   2  10.419  -1.737   0.315
   17    HB2  PRO   2           HB2      PRO   2   9.997  -4.348   0.686
   18    HB3  PRO   2           HB1      PRO   2  11.451  -3.768  -0.146
   19    HG2  PRO   2           HG2      PRO   2  11.125  -4.670   2.691
   20    HG3  PRO   2           HG1      PRO   2  12.421  -5.044   1.542
   21    HD2  PRO   2           HD2      PRO   2  12.600  -3.105   3.484
   22    HD3  PRO   2           HD1      PRO   2  13.529  -3.086   1.970
   23    H    PHE   3           HN       PHE   3   8.185  -2.145   0.430
   24    HA   PHE   3           HA       PHE   3   7.063  -2.527   3.115
   25    HB2  PHE   3           HB2      PHE   3   6.285  -0.415   1.099
   26    HB3  PHE   3           HB1      PHE   3   5.312  -0.824   2.508
   27    HD1  PHE   3           HD1      PHE   3   8.298   0.834   1.300
   28    HD2  PHE   3           HD2      PHE   3   6.097  -0.296   4.758
   29    HE1  PHE   3           HE1      PHE   3   9.597   2.435   2.644
   30    HE2  PHE   3           HE2      PHE   3   7.390   1.299   6.112
   31    HZ   PHE   3           HZ       PHE   3   9.197   2.589   5.094
   32    H    NLE   4           HN       NLE   4   4.867  -3.391   3.087
   33    HA   NLE   4           HA       NLE   4   4.093  -4.589   0.529
   34    HB2  NLE   4           HB1      NLE   4   4.406  -6.108   3.118
   35    HB3  NLE   4           HB2      NLE   4   5.467  -6.237   1.726
   36    HG2  NLE   4           HG1      NLE   4   3.680  -7.178   0.400
   37    HG3  NLE   4           HG2      NLE   4   2.542  -6.958   1.732
   38    HD2  NLE   4           HD1      NLE   4   3.837  -8.517   3.105
   39    HD3  NLE   4           HD2      NLE   4   4.989  -8.731   1.778
   40    HE1  NLE   4           HE1      NLE   4   2.048  -9.399   1.688
   41    HE2  NLE   4           HE2      NLE   4   3.366 -10.560   1.851
   42    HE3  NLE   4           HE3      NLE   4   3.199  -9.617   0.369
   43    H    CYS   5           HN       CYS   5   1.952  -4.618   0.178
   44    HA   CYS   5           HA       CYS   5   0.153  -3.633   2.198
   45    HB2  CYS   5           HB2      CYS   5  -0.360  -2.965  -0.023
   46    HB3  CYS   5           HB1      CYS   5  -0.251  -4.615  -0.623
   47    H    THR   6           HN       THR   6  -0.634  -4.862   3.754
   48    HA   THR   6           HA       THR   6  -0.555  -7.758   3.429
   49    HB   THR   6           HB       THR   6  -0.972  -7.774   5.911
   50    HG1  THR   6           HG1      THR   6  -1.797  -5.431   5.715
   51   HG21  THR   6          HG21      THR   6   1.299  -7.025   6.485
   52   HG22  THR   6          HG22      THR   6   1.420  -6.221   4.920
   53   HG23  THR   6          HG23      THR   6   1.278  -7.977   5.002
   54    H    TRP   7           HN       TRP   7  -2.659  -5.934   2.273
   55    HA   TRP   7           HA       TRP   7  -5.053  -6.713   3.720
   56    HB2  TRP   7           HB2      TRP   7  -4.795  -4.441   2.686
   57    HB3  TRP   7           HB1      TRP   7  -4.810  -5.210   1.104
   58    HD1  TRP   7           HD1      TRP   7  -7.090  -4.066   3.881
   59    HE1  TRP   7           HE1      TRP   7  -9.537  -4.376   3.168
   60    HE3  TRP   7           HE3      TRP   7  -6.346  -6.801  -0.367
   61    HZ2  TRP   7           HZ2      TRP   7 -10.966  -5.620   1.070
   62    HZ3  TRP   7           HZ3      TRP   7  -8.305  -7.512  -1.668
   63    HH2  TRP   7           HH2      TRP   7 -10.563  -6.934  -0.967
   64    HA   DPR   8           HA       DPR   8  -7.070  -9.501   0.814
   65    HB2  DPR   8           HB2      DPR   8  -7.911 -11.162   2.166
   66    HB3  DPR   8           HB1      DPR   8  -6.400 -11.336   3.068
   67    HG2  DPR   8           HG2      DPR   8  -8.513  -9.227   3.311
   68    HG3  DPR   8           HG1      DPR   8  -7.657 -10.106   4.594
   69    HD2  DPR   8           HD2      DPR   8  -6.975  -7.590   3.811
   70    HD3  DPR   8           HD1      DPR   8  -5.800  -8.758   4.447
   71    H    GLY   9           HN       GLY   9  -6.153 -10.518  -0.845
   72    HA2  GLY   9           HA2      GLY   9  -3.597 -11.930  -0.421
   73    HA3  GLY   9           HA1      GLY   9  -4.714 -12.233  -1.751
   74    H    CYS  10           HN       CYS  10  -4.292  -8.989  -0.879
   75    HA   CYS  10           HA       CYS  10  -3.056  -8.391  -3.421
   76    HB2  CYS  10           HB2      CYS  10  -4.938  -7.053  -2.626
   77    HB3  CYS  10           HB1      CYS  10  -4.054  -6.636  -1.166
   78    H    GLY  11           HN       GLY  11  -1.093  -9.642  -2.592
   79    HA2  GLY  11           HA2      GLY  11   0.574  -8.303  -0.654
   80    HA3  GLY  11           HA1      GLY  11   0.988  -9.738  -1.579
   81    H    LYS  12           HN       LYS  12   0.219  -6.343  -2.317
   82    HA   LYS  12           HA       LYS  12   2.283  -6.288  -4.342
   83    HB2  LYS  12           HB2      LYS  12   0.134  -5.113  -4.701
   84    HB3  LYS  12           HB1      LYS  12   0.498  -4.056  -3.342
   85    HG2  LYS  12           HG2      LYS  12   2.285  -3.037  -4.482
   86    HG3  LYS  12           HG1      LYS  12   2.294  -4.276  -5.737
   87    HD2  LYS  12           HD2      LYS  12   0.007  -3.514  -6.396
   88    HD3  LYS  12           HD1      LYS  12   0.183  -2.181  -5.252
   89    HE2  LYS  12           HE2      LYS  12   0.726  -1.520  -7.562
   90    HE3  LYS  12           HE1      LYS  12   2.099  -1.344  -6.472
   91    HZ1  LYS  12           HZ1      LYS  12   3.073  -3.318  -7.330
   92    HZ2  LYS  12           HZ2      LYS  12   2.628  -2.375  -8.658
   93    HZ3  LYS  12           HZ3      LYS  12   1.688  -3.708  -8.217
   94    H    ARG  13           HN       ARG  13   4.204  -5.225  -4.231
   95    HA   ARG  13           HA       ARG  13   5.001  -4.381  -1.533
   96    HB2  ARG  13           HB2      ARG  13   6.632  -5.587  -3.767
   97    HB3  ARG  13           HB1      ARG  13   7.326  -4.944  -2.284
   98    HG2  ARG  13           HG2      ARG  13   6.042  -6.568  -0.981
   99    HG3  ARG  13           HG1      ARG  13   5.361  -7.218  -2.473
  100    HD2  ARG  13           HD2      ARG  13   8.303  -7.141  -1.815
  101    HD3  ARG  13           HD1      ARG  13   7.264  -8.546  -1.587
  102    HE   ARG  13           HE       ARG  13   6.898  -7.953  -4.194
  103   HH11  ARG  13          HH11      ARG  13  10.717  -9.036  -3.558
  104   HH12  ARG  13          HH12      ARG  13   9.767  -8.423  -2.241
  105   HH21  ARG  13          HH21      ARG  13   8.137  -8.767  -5.922
  106   HH22  ARG  13          HH22      ARG  13   9.787  -9.232  -5.652
  107    H    PHE  14           HN       PHE  14   6.195  -2.559  -1.230
  108    HA   PHE  14           HA       PHE  14   6.483  -0.719  -3.510
  109    HB2  PHE  14           HB2      PHE  14   5.467   0.010  -0.751
  110    HB3  PHE  14           HB1      PHE  14   5.682   1.118  -2.105
  111    HD1  PHE  14           HD1      PHE  14   3.662  -1.631  -0.758
  112    HD2  PHE  14           HD2      PHE  14   4.111   1.219  -3.884
  113    HE1  PHE  14           HE1      PHE  14   1.375  -2.116  -1.521
  114    HE2  PHE  14           HE2      PHE  14   1.821   0.742  -4.648
  115    HZ   PHE  14           HZ       PHE  14   0.453  -0.927  -3.464
  116    H    THR  15           HN       THR  15   7.775   1.305  -2.557
  117    HA   THR  15           HA       THR  15   9.938   0.280  -0.844
  118    HB   THR  15           HB       THR  15  11.449   1.874  -2.141
  119    HG1  THR  15           HG1      THR  15   9.323   1.689  -4.040
  120   HG21  THR  15          HG21      THR  15  11.820   0.272  -3.974
  121   HG22  THR  15          HG22      THR  15  10.277  -0.498  -3.605
  122   HG23  THR  15          HG23      THR  15  11.591  -0.546  -2.429
  123    H    ARG  16           HN       ARG  16   7.435   2.365  -1.025
  124    HA   ARG  16           HA       ARG  16   8.647   4.145   0.958
  125    HB2  ARG  16           HB2      ARG  16   6.889   5.033  -1.341
  126    HB3  ARG  16           HB1      ARG  16   7.447   6.068  -0.034
  127    HG2  ARG  16           HG2      ARG  16   9.744   5.755  -0.744
  128    HG3  ARG  16           HG1      ARG  16   9.210   4.667  -2.026
  129    HD2  ARG  16           HD2      ARG  16   7.909   6.503  -3.010
  130    HD3  ARG  16           HD1      ARG  16   8.501   7.584  -1.750
  131    HE   ARG  16           HE       ARG  16  10.739   6.497  -2.941
  132   HH11  ARG  16          HH11      ARG  16   8.011   8.439  -3.948
  133   HH12  ARG  16          HH12      ARG  16   8.895   9.264  -5.191
  134   HH21  ARG  16          HH21      ARG  16  11.906   7.565  -4.586
  135   HH22  ARG  16          HH22      ARG  16  11.111   8.762  -5.559
  136    H    SER  17           HN       SER  17   7.358   4.578   2.675
  137    HA   SER  17           HA       SER  17   5.118   2.871   3.091
  138    HB2  SER  17           HB2      SER  17   6.771   3.635   4.857
  139    HB3  SER  17           HB1      SER  17   5.971   5.208   4.816
  140    HG   SER  17           HG       SER  17   4.230   4.374   5.762
  141    H    ASP  18           HN       ASP  18   5.544   6.192   2.132
  142    HA   ASP  18           HA       ASP  18   2.840   6.993   2.581
  143    HB2  ASP  18           HB2      ASP  18   3.399   8.955   1.207
  144    HB3  ASP  18           HB1      ASP  18   4.613   8.661   2.445
  145    H    GLU  19           HN       GLU  19   4.560   5.506  -0.081
  146    HA   GLU  19           HA       GLU  19   2.442   5.696  -1.958
  147    HB2  GLU  19           HB2      GLU  19   4.887   3.958  -1.776
  148    HB3  GLU  19           HB1      GLU  19   3.689   3.731  -3.038
  149    HG2  GLU  19           HG2      GLU  19   5.129   6.316  -2.516
  150    HG3  GLU  19           HG1      GLU  19   5.611   5.125  -3.724
  151    H    LEU  20           HN       LEU  20   3.435   3.308   0.419
  152    HA   LEU  20           HA       LEU  20   1.464   1.385  -0.148
  153    HB2  LEU  20           HB2      LEU  20   3.332   0.843   1.270
  154    HB3  LEU  20           HB1      LEU  20   2.867   2.078   2.428
  155    HG   LEU  20           HG       LEU  20   0.835   0.800   2.971
  156   HD11  LEU  20          HD11      LEU  20   0.467  -0.336   0.877
  157   HD12  LEU  20          HD12      LEU  20   0.647  -1.524   2.166
  158   HD13  LEU  20          HD13      LEU  20   1.981  -1.223   1.055
  159   HD21  LEU  20          HD21      LEU  20   1.899  -0.922   4.246
  160   HD22  LEU  20          HD22      LEU  20   2.970   0.478   4.216
  161   HD23  LEU  20          HD23      LEU  20   3.303  -0.910   3.184
  162    H    GLN  21           HN       GLN  21   1.454   4.186   2.047
  163    HA   GLN  21           HA       GLN  21  -1.143   3.850   3.056
  164    HB2  GLN  21           HB2      GLN  21   0.545   6.314   2.646
  165    HB3  GLN  21           HB1      GLN  21  -1.048   6.378   3.386
  166    HG2  GLN  21           HG2      GLN  21  -0.284   4.859   5.148
  167    HG3  GLN  21           HG1      GLN  21   1.317   4.822   4.410
  168   HE21  GLN  21          HE21      GLN  21   0.424   5.735   7.061
  169   HE22  GLN  21          HE22      GLN  21   0.969   7.371   7.198
  170    H    ARG  22           HN       ARG  22   0.011   5.713   0.263
  171    HA   ARG  22           HA       ARG  22  -2.458   6.674  -0.618
  172    HB2  ARG  22           HB2      ARG  22  -0.291   7.454  -1.505
  173    HB3  ARG  22           HB1      ARG  22  -0.053   5.896  -2.287
  174    HG2  ARG  22           HG2      ARG  22  -1.930   6.277  -3.736
  175    HG3  ARG  22           HG1      ARG  22  -2.334   7.768  -2.883
  176    HD2  ARG  22           HD2      ARG  22  -1.204   8.353  -4.906
  177    HD3  ARG  22           HD1      ARG  22  -0.113   8.678  -3.564
  178    HE   ARG  22           HE       ARG  22   1.221   6.851  -4.228
  179   HH11  ARG  22          HH11      ARG  22  -0.816   6.483  -7.680
  180   HH12  ARG  22          HH12      ARG  22  -1.515   7.363  -6.359
  181   HH21  ARG  22          HH21      ARG  22   2.164   5.721  -5.981
  182   HH22  ARG  22          HH22      ARG  22   1.271   5.548  -7.464
  183    H    HIS  23           HN       HIS  23  -0.745   3.684  -1.397
  184    HA   HIS  23           HA       HIS  23  -2.587   2.609  -3.195
  185    HB2  HIS  23           HB2      HIS  23  -0.449   1.589  -3.044
  186    HB3  HIS  23           HB1      HIS  23  -0.610   1.338  -1.311
  187    HD1  HIS  23           HD1      HIS  23  -1.436  -0.243  -4.603
  188    HD2  HIS  23           HD2      HIS  23  -2.224  -0.813  -0.551
  189    HE1  HIS  23           HE1      HIS  23  -2.486  -2.555  -4.380
  190    H    LYS  24           HN       LYS  24  -2.369   2.277   0.332
  191    HA   LYS  24           HA       LYS  24  -4.424   0.452   0.719
  192    HB2  LYS  24           HB2      LYS  24  -3.374   2.654   2.476
  193    HB3  LYS  24           HB1      LYS  24  -4.645   1.565   3.008
  194    HG2  LYS  24           HG2      LYS  24  -1.875   0.744   2.157
  195    HG3  LYS  24           HG1      LYS  24  -2.456   0.866   3.816
  196    HD2  LYS  24           HD2      LYS  24  -4.209  -0.823   3.237
  197    HD3  LYS  24           HD1      LYS  24  -3.410  -1.028   1.677
  198    HE2  LYS  24           HE2      LYS  24  -2.688  -2.758   3.212
  199    HE3  LYS  24           HE1      LYS  24  -1.344  -1.678   2.842
  200    HZ1  LYS  24           HZ1      LYS  24  -1.715  -0.550   4.943
  201    HZ2  LYS  24           HZ2      LYS  24  -1.445  -2.198   5.197
  202    HZ3  LYS  24           HZ3      LYS  24  -3.013  -1.575   5.293
  203    H    ARG  25           HN       ARG  25  -4.605   3.824  -0.048
  204    HA   ARG  25           HA       ARG  25  -7.188   4.380   0.885
  205    HB2  ARG  25           HB2      ARG  25  -5.672   5.530  -1.453
  206    HB3  ARG  25           HB1      ARG  25  -7.184   6.189  -0.846
  207    HG2  ARG  25           HG2      ARG  25  -6.113   6.562   1.336
  208    HG3  ARG  25           HG1      ARG  25  -4.591   5.973   0.669
  209    HD2  ARG  25           HD2      ARG  25  -4.652   8.417   0.659
  210    HD3  ARG  25           HD1      ARG  25  -4.617   7.784  -0.986
  211    HE   ARG  25           HE       ARG  25  -7.244   8.095  -0.587
  212   HH11  ARG  25          HH11      ARG  25  -5.495  11.691  -0.253
  213   HH12  ARG  25          HH12      ARG  25  -4.570  10.258   0.048
  214   HH21  ARG  25          HH21      ARG  25  -7.708  11.532  -0.841
  215   HH22  ARG  25          HH22      ARG  25  -8.456   9.974  -0.994
  216    H    THR  26           HN       THR  26  -6.180   2.421  -1.770
  217    HA   THR  26           HA       THR  26  -8.649   2.597  -3.217
  218    HB   THR  26           HB       THR  26  -7.842   0.633  -4.478
  219    HG1  THR  26           HG1      THR  26  -5.479   0.784  -2.890
  220   HG21  THR  26          HG21      THR  26  -7.161   2.867  -5.178
  221   HG22  THR  26          HG22      THR  26  -5.873   1.701  -5.480
  222   HG23  THR  26          HG23      THR  26  -5.767   2.793  -4.101
  223    H    HIS  27           HN       HIS  27  -7.374   0.602  -0.645
  224    HA   HIS  27           HA       HIS  27  -9.638  -1.211  -0.717
  225    HB2  HIS  27           HB2      HIS  27  -7.457  -0.940   1.366
  226    HB3  HIS  27           HB1      HIS  27  -8.625  -2.251   1.260
  227    HD1  HIS  27           HD1      HIS  27  -8.405  -3.390  -1.454
  228    HD2  HIS  27           HD2      HIS  27  -5.097  -1.779   0.509
  229    HE1  HIS  27           HE1      HIS  27  -6.339  -4.438  -2.521
  230    H    THR  28           HN       THR  28  -8.402   1.426   1.245
  231    HA   THR  28           HA       THR  28 -10.851   1.406   2.849
  232    HB   THR  28           HB       THR  28  -9.544   2.966   4.363
  233    HG1  THR  28           HG1      THR  28  -7.442   2.136   2.617
  234   HG21  THR  28          HG21      THR  28  -8.470   0.178   3.924
  235   HG22  THR  28          HG22      THR  28  -9.853   0.620   4.926
  236   HG23  THR  28          HG23      THR  28  -8.231   1.143   5.380
  237    H    GLY  29           HN       GLY  29 -11.827   2.331   0.825
  238    HA2  GLY  29           HA2      GLY  29 -11.159   5.055   0.173
  239    HA3  GLY  29           HA1      GLY  29 -12.482   4.115  -0.498
  240    H    GLU  30           HN       GLU  30 -13.345   3.429   2.272
  241    HA   GLU  30           HA       GLU  30 -15.269   5.488   2.537
  242    HB2  GLU  30           HB2      GLU  30 -15.611   3.098   3.222
  243    HB3  GLU  30           HB1      GLU  30 -14.555   3.398   4.596
  244    HG2  GLU  30           HG2      GLU  30 -16.886   3.528   5.244
  245    HG3  GLU  30           HG1      GLU  30 -16.090   5.092   5.425
  246    H    LYS  31           HN       LYS  31 -12.578   4.529   4.667
  247    HA   LYS  31           HA       LYS  31 -12.702   7.213   5.867
  248    HB2  LYS  31           HB2      LYS  31 -11.499   4.699   7.031
  249    HB3  LYS  31           HB1      LYS  31 -11.622   6.255   7.834
  250    HG2  LYS  31           HG2      LYS  31 -13.922   4.501   6.999
  251    HG3  LYS  31           HG1      LYS  31 -13.321   4.726   8.641
  252    HD2  LYS  31           HD2      LYS  31 -13.913   7.092   8.540
  253    HD3  LYS  31           HD1      LYS  31 -14.494   6.882   6.886
  254    HE2  LYS  31           HE2      LYS  31 -16.169   5.276   7.697
  255    HE3  LYS  31           HE1      LYS  31 -15.601   5.535   9.346
  256    HZ1  LYS  31           HZ1      LYS  31 -17.572   6.843   8.869
  257    HZ2  LYS  31           HZ2      LYS  31 -16.787   7.608   7.584
  258    HZ3  LYS  31           HZ3      LYS  31 -16.250   7.855   9.165
  259    HN1  NH2  32           HN1      NH2  32 -11.452   8.140   4.249
  260    HN2  NH2  32           HN2      NH2  32  -9.751   7.851   4.115
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1  12.975   0.348   3.754
    2    H2   ARG   1           HT2      ARG   1  13.736  -1.158   3.747
    3    H3   ARG   1           HT3      ARG   1  13.820  -0.183   5.121
    4    HA   ARG   1           HA       ARG   1  12.259  -1.963   5.446
    5    HB2  ARG   1           HB2      ARG   1  11.067   0.800   5.183
    6    HB3  ARG   1           HB1      ARG   1  10.243  -0.541   5.968
    7    HG2  ARG   1           HG2      ARG   1  11.990  -0.701   7.620
    8    HG3  ARG   1           HG1      ARG   1  12.919   0.554   6.803
    9    HD2  ARG   1           HD2      ARG   1  11.187   2.185   7.276
   10    HD3  ARG   1           HD1      ARG   1  10.182   0.937   8.017
   11    HE   ARG   1           HE       ARG   1  12.319   0.725   9.532
   12   HH11  ARG   1          HH11      ARG   1  10.773   3.652   8.369
   13   HH12  ARG   1          HH12      ARG   1  11.267   4.600   9.734
   14   HH21  ARG   1          HH21      ARG   1  12.509   3.653  11.412
   15   HH22  ARG   1          HH22      ARG   1  12.960   1.979  11.326
   16    HA   PRO   2           HA       PRO   2  10.439  -3.038   1.416
   17    HB2  PRO   2           HB2      PRO   2   9.989  -5.574   2.858
   18    HB3  PRO   2           HB1      PRO   2  10.809  -5.291   1.317
   19    HG2  PRO   2           HG2      PRO   2  12.175  -5.953   3.522
   20    HG3  PRO   2           HG1      PRO   2  12.829  -4.819   2.327
   21    HD2  PRO   2           HD2      PRO   2  11.552  -4.247   4.980
   22    HD3  PRO   2           HD1      PRO   2  12.981  -3.498   4.229
   23    H    PHE   3           HN       PHE   3   8.534  -1.906   1.442
   24    HA   PHE   3           HA       PHE   3   6.526  -2.469   3.457
   25    HB2  PHE   3           HB2      PHE   3   6.561  -0.561   1.121
   26    HB3  PHE   3           HB1      PHE   3   5.221  -0.712   2.248
   27    HD1  PHE   3           HD1      PHE   3   8.250   0.933   1.538
   28    HD2  PHE   3           HD2      PHE   3   5.782  -0.358   4.750
   29    HE1  PHE   3           HE1      PHE   3   9.341   2.559   3.019
   30    HE2  PHE   3           HE2      PHE   3   6.867   1.270   6.242
   31    HZ   PHE   3           HZ       PHE   3   8.623   2.725   5.399
   32    H    NLE   4           HN       NLE   4   4.470  -3.307   3.033
   33    HA   NLE   4           HA       NLE   4   3.901  -4.357   0.401
   34    HB2  NLE   4           HB1      NLE   4   4.214  -6.173   2.789
   35    HB3  NLE   4           HB2      NLE   4   5.328  -6.079   1.438
   36    HG2  NLE   4           HG1      NLE   4   3.570  -6.871  -0.067
   37    HG3  NLE   4           HG2      NLE   4   2.456  -6.970   1.300
   38    HD2  NLE   4           HD1      NLE   4   3.941  -8.609   2.378
   39    HD3  NLE   4           HD2      NLE   4   5.022  -8.531   0.977
   40    HE1  NLE   4           HE1      NLE   4   3.542 -10.457   0.816
   41    HE2  NLE   4           HE2      NLE   4   3.190  -9.292  -0.461
   42    HE3  NLE   4           HE3      NLE   4   2.136  -9.402   0.949
   43    H    CYS   5           HN       CYS   5   1.790  -4.346   0.011
   44    HA   CYS   5           HA       CYS   5  -0.101  -3.586   2.003
   45    HB2  CYS   5           HB2      CYS   5  -0.547  -2.842  -0.200
   46    HB3  CYS   5           HB1      CYS   5  -0.348  -4.455  -0.871
   47    H    THR   6           HN       THR   6  -1.487  -4.843   3.152
   48    HA   THR   6           HA       THR   6  -1.160  -7.747   2.828
   49    HB   THR   6           HB       THR   6  -1.666  -7.821   5.333
   50    HG1  THR   6           HG1      THR   6  -2.348  -5.592   5.473
   51   HG21  THR   6          HG21      THR   6   0.673  -7.382   5.925
   52   HG22  THR   6          HG22      THR   6   0.900  -6.535   4.395
   53   HG23  THR   6          HG23      THR   6   0.552  -8.264   4.402
   54    H    TRP   7           HN       TRP   7  -3.217  -5.898   1.716
   55    HA   TRP   7           HA       TRP   7  -5.629  -6.671   3.133
   56    HB2  TRP   7           HB2      TRP   7  -5.339  -4.404   2.077
   57    HB3  TRP   7           HB1      TRP   7  -5.385  -5.195   0.505
   58    HD1  TRP   7           HD1      TRP   7  -7.614  -4.004   3.309
   59    HE1  TRP   7           HE1      TRP   7 -10.074  -4.311   2.643
   60    HE3  TRP   7           HE3      TRP   7  -6.965  -6.801  -0.923
   61    HZ2  TRP   7           HZ2      TRP   7 -11.552  -5.573   0.596
   62    HZ3  TRP   7           HZ3      TRP   7  -8.959  -7.520  -2.170
   63    HH2  TRP   7           HH2      TRP   7 -11.198  -6.921  -1.428
   64    HA   DPR   8           HA       DPR   8  -7.451  -9.561   0.185
   65    HB2  DPR   8           HB2      DPR   8  -8.426 -11.138   1.539
   66    HB3  DPR   8           HB1      DPR   8  -6.978 -11.324   2.537
   67    HG2  DPR   8           HG2      DPR   8  -9.061  -9.172   2.606
   68    HG3  DPR   8           HG1      DPR   8  -8.302 -10.037   3.958
   69    HD2  DPR   8           HD2      DPR   8  -7.526  -7.554   3.202
   70    HD3  DPR   8           HD1      DPR   8  -6.393  -8.745   3.874
   71    H    GLY   9           HN       GLY   9  -6.348 -10.603  -1.343
   72    HA2  GLY   9           HA2      GLY   9  -3.822 -11.940  -0.621
   73    HA3  GLY   9           HA1      GLY   9  -4.793 -12.311  -2.043
   74    H    CYS  10           HN       CYS  10  -4.591  -9.019  -1.356
   75    HA   CYS  10           HA       CYS  10  -3.147  -8.471  -3.762
   76    HB2  CYS  10           HB2      CYS  10  -4.979  -7.039  -3.029
   77    HB3  CYS  10           HB1      CYS  10  -4.131  -6.675  -1.534
   78    H    GLY  11           HN       GLY  11  -1.027  -9.080  -3.682
   79    HA2  GLY  11           HA2      GLY  11   0.539  -8.390  -1.300
   80    HA3  GLY  11           HA1      GLY  11   0.995  -9.559  -2.527
   81    H    LYS  12           HN       LYS  12  -0.073  -6.202  -2.842
   82    HA   LYS  12           HA       LYS  12   2.005  -5.588  -4.696
   83    HB2  LYS  12           HB2      LYS  12  -0.244  -4.492  -4.683
   84    HB3  LYS  12           HB1      LYS  12   0.207  -3.677  -3.193
   85    HG2  LYS  12           HG2      LYS  12   0.507  -2.157  -5.006
   86    HG3  LYS  12           HG1      LYS  12   2.098  -2.627  -4.405
   87    HD2  LYS  12           HD2      LYS  12   2.261  -4.276  -6.240
   88    HD3  LYS  12           HD1      LYS  12   0.710  -3.704  -6.857
   89    HE2  LYS  12           HE2      LYS  12   2.547  -2.680  -8.080
   90    HE3  LYS  12           HE1      LYS  12   1.660  -1.467  -7.160
   91    HZ1  LYS  12           HZ1      LYS  12   4.078  -1.194  -7.006
   92    HZ2  LYS  12           HZ2      LYS  12   4.213  -2.720  -6.294
   93    HZ3  LYS  12           HZ3      LYS  12   3.384  -1.486  -5.495
   94    H    ARG  13           HN       ARG  13   3.996  -4.856  -4.317
   95    HA   ARG  13           HA       ARG  13   4.736  -4.292  -1.534
   96    HB2  ARG  13           HB2      ARG  13   6.364  -5.241  -3.888
   97    HB3  ARG  13           HB1      ARG  13   7.071  -4.767  -2.349
   98    HG2  ARG  13           HG2      ARG  13   5.966  -6.538  -1.206
   99    HG3  ARG  13           HG1      ARG  13   4.997  -6.921  -2.631
  100    HD2  ARG  13           HD2      ARG  13   6.822  -8.519  -2.356
  101    HD3  ARG  13           HD1      ARG  13   7.014  -7.581  -3.835
  102    HE   ARG  13           HE       ARG  13   8.487  -6.202  -2.034
  103   HH11  ARG  13          HH11      ARG  13  10.078  -9.834  -2.689
  104   HH12  ARG  13          HH12      ARG  13   8.390  -9.566  -2.985
  105   HH21  ARG  13          HH21      ARG  13  10.717  -6.540  -1.653
  106   HH22  ARG  13          HH22      ARG  13  11.404  -8.109  -1.931
  107    H    PHE  14           HN       PHE  14   6.194  -2.585  -1.061
  108    HA   PHE  14           HA       PHE  14   6.406  -0.476  -3.087
  109    HB2  PHE  14           HB2      PHE  14   5.386   0.002  -0.284
  110    HB3  PHE  14           HB1      PHE  14   5.540   1.197  -1.570
  111    HD1  PHE  14           HD1      PHE  14   3.553  -1.477  -0.182
  112    HD2  PHE  14           HD2      PHE  14   4.027   1.157  -3.478
  113    HE1  PHE  14           HE1      PHE  14   1.244  -1.942  -0.883
  114    HE2  PHE  14           HE2      PHE  14   1.717   0.702  -4.181
  115    HZ   PHE  14           HZ       PHE  14   0.355  -0.925  -2.925
  116    H    THR  15           HN       THR  15   8.015   1.090  -2.631
  117    HA   THR  15           HA       THR  15  10.053   0.195  -0.725
  118    HB   THR  15           HB       THR  15  11.486   1.899  -1.986
  119    HG1  THR  15           HG1      THR  15  10.592   2.946  -3.596
  120   HG21  THR  15          HG21      THR  15  10.393  -0.453  -3.543
  121   HG22  THR  15          HG22      THR  15  11.689  -0.524  -2.349
  122   HG23  THR  15          HG23      THR  15  11.921   0.371  -3.850
  123    H    ARG  16           HN       ARG  16   7.639   2.523  -1.200
  124    HA   ARG  16           HA       ARG  16   8.747   4.175   0.966
  125    HB2  ARG  16           HB2      ARG  16   7.208   5.007  -1.487
  126    HB3  ARG  16           HB1      ARG  16   7.382   6.053  -0.088
  127    HG2  ARG  16           HG2      ARG  16   9.851   5.880  -0.361
  128    HG3  ARG  16           HG1      ARG  16   9.562   5.005  -1.866
  129    HD2  ARG  16           HD2      ARG  16   9.971   7.405  -2.240
  130    HD3  ARG  16           HD1      ARG  16   8.371   6.900  -2.776
  131    HE   ARG  16           HE       ARG  16   8.349   7.894  -0.096
  132   HH11  ARG  16          HH11      ARG  16   8.351   8.865  -3.452
  133   HH12  ARG  16          HH12      ARG  16   7.556  10.378  -3.151
  134   HH21  ARG  16          HH21      ARG  16   7.276   9.868   0.312
  135   HH22  ARG  16          HH22      ARG  16   6.949  10.951  -1.006
  136    H    SER  17           HN       SER  17   7.375   4.827   2.576
  137    HA   SER  17           HA       SER  17   5.095   3.197   3.064
  138    HB2  SER  17           HB2      SER  17   4.872   4.678   5.108
  139    HB3  SER  17           HB1      SER  17   6.426   3.856   4.940
  140    HG   SER  17           HG       SER  17   6.135   6.358   5.332
  141    H    ASP  18           HN       ASP  18   5.627   6.432   1.864
  142    HA   ASP  18           HA       ASP  18   3.012   7.444   2.018
  143    HB2  ASP  18           HB2      ASP  18   5.071   7.932  -0.155
  144    HB3  ASP  18           HB1      ASP  18   3.628   8.900   0.117
  145    H    GLU  19           HN       GLU  19   4.574   5.403  -0.378
  146    HA   GLU  19           HA       GLU  19   2.378   5.345  -2.166
  147    HB2  GLU  19           HB2      GLU  19   4.883   3.725  -1.889
  148    HB3  GLU  19           HB1      GLU  19   3.629   3.260  -3.025
  149    HG2  GLU  19           HG2      GLU  19   4.951   5.959  -2.989
  150    HG3  GLU  19           HG1      GLU  19   5.445   4.618  -4.024
  151    H    LEU  20           HN       LEU  20   3.473   3.234   0.448
  152    HA   LEU  20           HA       LEU  20   1.544   1.226   0.078
  153    HB2  LEU  20           HB2      LEU  20   3.407   0.825   1.525
  154    HB3  LEU  20           HB1      LEU  20   2.956   2.159   2.567
  155    HG   LEU  20           HG       LEU  20   0.979   0.944   3.323
  156   HD11  LEU  20          HD11      LEU  20   1.937  -1.267   1.514
  157   HD12  LEU  20          HD12      LEU  20   0.483  -0.295   1.288
  158   HD13  LEU  20          HD13      LEU  20   0.612  -1.382   2.670
  159   HD21  LEU  20          HD21      LEU  20   3.154   0.621   4.466
  160   HD22  LEU  20          HD22      LEU  20   3.422  -0.815   3.476
  161   HD23  LEU  20          HD23      LEU  20   2.073  -0.764   4.609
  162    H    GLN  21           HN       GLN  21   1.463   4.171   2.082
  163    HA   GLN  21           HA       GLN  21  -1.131   3.801   3.111
  164    HB2  GLN  21           HB2      GLN  21   0.406   6.348   2.565
  165    HB3  GLN  21           HB1      GLN  21  -1.107   6.281   3.459
  166    HG2  GLN  21           HG2      GLN  21  -0.039   4.859   5.142
  167    HG3  GLN  21           HG1      GLN  21   1.477   4.950   4.248
  168   HE21  GLN  21          HE21      GLN  21   2.571   5.927   5.934
  169   HE22  GLN  21          HE22      GLN  21   2.289   7.571   6.395
  170    H    ARG  22           HN       ARG  22   0.012   5.676   0.340
  171    HA   ARG  22           HA       ARG  22  -2.362   6.625  -0.681
  172    HB2  ARG  22           HB2      ARG  22  -0.228   7.293  -1.583
  173    HB3  ARG  22           HB1      ARG  22   0.124   5.653  -2.097
  174    HG2  ARG  22           HG2      ARG  22  -1.693   5.789  -3.734
  175    HG3  ARG  22           HG1      ARG  22  -2.009   7.451  -3.227
  176    HD2  ARG  22           HD2      ARG  22   0.197   8.135  -3.925
  177    HD3  ARG  22           HD1      ARG  22   0.641   6.469  -4.289
  178    HE   ARG  22           HE       ARG  22  -1.630   7.510  -5.762
  179   HH11  ARG  22          HH11      ARG  22   2.005   7.047  -7.413
  180   HH12  ARG  22          HH12      ARG  22   1.826   6.908  -5.688
  181   HH21  ARG  22          HH21      ARG  22  -1.391   7.683  -8.023
  182   HH22  ARG  22          HH22      ARG  22   0.174   7.479  -8.741
  183    H    HIS  23           HN       HIS  23  -0.727   3.613  -1.630
  184    HA   HIS  23           HA       HIS  23  -2.715   2.645  -3.316
  185    HB2  HIS  23           HB2      HIS  23  -0.586   1.631  -3.440
  186    HB3  HIS  23           HB1      HIS  23  -0.564   1.279  -1.717
  187    HD1  HIS  23           HD1      HIS  23  -1.493  -0.219  -4.980
  188    HD2  HIS  23           HD2      HIS  23  -2.302  -0.843  -0.929
  189    HE1  HIS  23           HE1      HIS  23  -2.545  -2.539  -4.786
  190    H    LYS  24           HN       LYS  24  -2.215   2.108   0.152
  191    HA   LYS  24           HA       LYS  24  -4.138   0.140   0.538
  192    HB2  LYS  24           HB2      LYS  24  -2.416   0.864   2.202
  193    HB3  LYS  24           HB1      LYS  24  -3.375   2.304   2.507
  194    HG2  LYS  24           HG2      LYS  24  -3.885   0.817   4.247
  195    HG3  LYS  24           HG1      LYS  24  -5.265   0.754   3.153
  196    HD2  LYS  24           HD2      LYS  24  -4.747  -1.483   3.809
  197    HD3  LYS  24           HD1      LYS  24  -4.259  -1.294   2.127
  198    HE2  LYS  24           HE2      LYS  24  -2.558  -2.507   3.357
  199    HE3  LYS  24           HE1      LYS  24  -1.936  -0.936   2.858
  200    HZ1  LYS  24           HZ1      LYS  24  -1.330  -1.452   5.140
  201    HZ2  LYS  24           HZ2      LYS  24  -2.957  -1.604   5.569
  202    HZ3  LYS  24           HZ3      LYS  24  -2.350  -0.103   5.090
  203    H    ARG  25           HN       ARG  25  -4.470   3.591   0.206
  204    HA   ARG  25           HA       ARG  25  -7.051   3.845   1.309
  205    HB2  ARG  25           HB2      ARG  25  -5.579   5.524  -0.712
  206    HB3  ARG  25           HB1      ARG  25  -7.118   5.984   0.007
  207    HG2  ARG  25           HG2      ARG  25  -6.137   6.023   2.202
  208    HG3  ARG  25           HG1      ARG  25  -4.608   5.416   1.565
  209    HD2  ARG  25           HD2      ARG  25  -4.405   7.459   0.191
  210    HD3  ARG  25           HD1      ARG  25  -5.892   8.072   0.916
  211    HE   ARG  25           HE       ARG  25  -4.470   7.654   3.096
  212   HH11  ARG  25          HH11      ARG  25  -2.247  10.057   0.769
  213   HH12  ARG  25          HH12      ARG  25  -3.489   9.076   0.055
  214   HH21  ARG  25          HH21      ARG  25  -1.879   9.990   3.034
  215   HH22  ARG  25          HH22      ARG  25  -2.841   8.955   4.043
  216    H    THR  26           HN       THR  26  -6.037   2.447  -1.652
  217    HA   THR  26           HA       THR  26  -8.456   2.916  -3.099
  218    HB   THR  26           HB       THR  26  -7.734   1.157  -4.627
  219    HG1  THR  26           HG1      THR  26  -5.446   0.740  -2.990
  220   HG21  THR  26          HG21      THR  26  -5.610   2.119  -5.357
  221   HG22  THR  26          HG22      THR  26  -5.431   2.921  -3.798
  222   HG23  THR  26          HG23      THR  26  -6.744   3.381  -4.880
  223    H    HIS  27           HN       HIS  27  -7.328   0.508  -0.817
  224    HA   HIS  27           HA       HIS  27  -9.741  -1.088  -1.098
  225    HB2  HIS  27           HB2      HIS  27  -7.614  -1.280   1.042
  226    HB3  HIS  27           HB1      HIS  27  -8.833  -2.484   0.661
  227    HD1  HIS  27           HD1      HIS  27  -8.475  -3.438  -2.038
  228    HD2  HIS  27           HD2      HIS  27  -5.242  -1.895   0.096
  229    HE1  HIS  27           HE1      HIS  27  -6.367  -4.425  -3.084
  230    H    THR  28           HN       THR  28  -8.165   0.894   1.382
  231    HA   THR  28           HA       THR  28 -10.783   1.369   2.620
  232    HB   THR  28           HB       THR  28  -8.232   0.777   4.135
  233    HG1  THR  28           HG1      THR  28 -10.276  -0.841   3.176
  234   HG21  THR  28          HG21      THR  28  -9.674   0.730   6.100
  235   HG22  THR  28          HG22      THR  28 -11.075   1.111   5.100
  236   HG23  THR  28          HG23      THR  28  -9.783   2.296   5.295
  237    H    GLY  29           HN       GLY  29 -10.861   3.458   1.763
  238    HA2  GLY  29           HA2      GLY  29  -8.971   5.329   3.031
  239    HA3  GLY  29           HA1      GLY  29  -9.432   5.519   1.346
  240    H    GLU  30           HN       GLU  30 -12.076   5.055   1.369
  241    HA   GLU  30           HA       GLU  30 -13.097   7.351   2.833
  242    HB2  GLU  30           HB2      GLU  30 -13.562   6.926   0.361
  243    HB3  GLU  30           HB1      GLU  30 -14.619   5.624   0.889
  244    HG2  GLU  30           HG2      GLU  30 -15.863   7.662   0.423
  245    HG3  GLU  30           HG1      GLU  30 -15.988   7.196   2.119
  246    H    LYS  31           HN       LYS  31 -13.611   3.878   2.525
  247    HA   LYS  31           HA       LYS  31 -15.056   3.936   5.082
  248    HB2  LYS  31           HB2      LYS  31 -16.638   3.584   3.203
  249    HB3  LYS  31           HB1      LYS  31 -15.719   2.165   2.724
  250    HG2  LYS  31           HG2      LYS  31 -16.234   1.126   4.894
  251    HG3  LYS  31           HG1      LYS  31 -17.212   2.535   5.313
  252    HD2  LYS  31           HD2      LYS  31 -18.642   2.099   3.363
  253    HD3  LYS  31           HD1      LYS  31 -17.680   0.667   2.991
  254    HE2  LYS  31           HE2      LYS  31 -18.284  -0.275   5.185
  255    HE3  LYS  31           HE1      LYS  31 -19.295   1.135   5.495
  256    HZ1  LYS  31           HZ1      LYS  31 -20.656   0.540   3.593
  257    HZ2  LYS  31           HZ2      LYS  31 -20.593  -0.741   4.691
  258    HZ3  LYS  31           HZ3      LYS  31 -19.676  -0.799   3.274
  259    HN1  NH2  32           HN1      NH2  32 -13.445   3.200   6.346
  260    HN2  NH2  32           HN2      NH2  32 -12.629   1.688   6.130
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1  14.143  -0.411   3.100
    2    H2   ARG   1           HT2      ARG   1  14.350   0.866   4.185
    3    H3   ARG   1           HT3      ARG   1  13.320   1.043   2.859
    4    HA   ARG   1           HA       ARG   1  12.922  -0.820   5.115
    5    HB2  ARG   1           HB2      ARG   1  11.439   1.711   4.368
    6    HB3  ARG   1           HB1      ARG   1  10.994   0.618   5.670
    7    HG2  ARG   1           HG2      ARG   1  13.144   1.104   6.773
    8    HG3  ARG   1           HG1      ARG   1  13.513   2.259   5.493
    9    HD2  ARG   1           HD2      ARG   1  11.499   3.543   6.092
   10    HD3  ARG   1           HD1      ARG   1  11.172   2.401   7.396
   11    HE   ARG   1           HE       ARG   1  13.788   3.499   7.610
   12   HH11  ARG   1          HH11      ARG   1  10.416   4.226   8.208
   13   HH12  ARG   1          HH12      ARG   1  10.757   5.371   9.465
   14   HH21  ARG   1          HH21      ARG   1  12.927   5.813  10.072
   15   HH22  ARG   1          HH22      ARG   1  14.238   5.005   9.275
   16    HA   PRO   2           HA       PRO   2  10.599  -2.809   1.851
   17    HB2  PRO   2           HB2      PRO   2  10.056  -5.090   3.165
   18    HB3  PRO   2           HB1      PRO   2  11.675  -4.733   2.544
   19    HG2  PRO   2           HG2      PRO   2  10.614  -4.480   5.330
   20    HG3  PRO   2           HG1      PRO   2  12.183  -5.095   4.782
   21    HD2  PRO   2           HD2      PRO   2  11.786  -2.559   5.756
   22    HD3  PRO   2           HD1      PRO   2  13.089  -2.996   4.630
   23    H    PHE   3           HN       PHE   3   8.589  -2.093   1.443
   24    HA   PHE   3           HA       PHE   3   6.563  -2.435   3.553
   25    HB2  PHE   3           HB2      PHE   3   6.664  -0.428   1.293
   26    HB3  PHE   3           HB1      PHE   3   5.288  -0.643   2.371
   27    HD1  PHE   3           HD1      PHE   3   8.442   0.960   1.890
   28    HD2  PHE   3           HD2      PHE   3   5.648  -0.281   4.847
   29    HE1  PHE   3           HE1      PHE   3   9.466   2.511   3.499
   30    HE2  PHE   3           HE2      PHE   3   6.666   1.268   6.465
   31    HZ   PHE   3           HZ       PHE   3   8.579   2.667   5.792
   32    H    NLE   4           HN       NLE   4   4.569  -3.324   2.980
   33    HA   NLE   4           HA       NLE   4   4.120  -4.244   0.278
   34    HB2  NLE   4           HB1      NLE   4   4.475  -6.210   2.542
   35    HB3  NLE   4           HB2      NLE   4   5.634  -5.947   1.251
   36    HG2  NLE   4           HG1      NLE   4   4.029  -6.742  -0.387
   37    HG3  NLE   4           HG2      NLE   4   2.824  -6.965   0.886
   38    HD2  NLE   4           HD1      NLE   4   4.265  -8.622   1.967
   39    HD3  NLE   4           HD2      NLE   4   5.481  -8.391   0.701
   40    HE1  NLE   4           HE1      NLE   4   3.884  -9.149  -0.978
   41    HE2  NLE   4           HE2      NLE   4   2.662  -9.364   0.274
   42    HE3  NLE   4           HE3      NLE   4   4.108 -10.371   0.274
   43    H    CYS   5           HN       CYS   5   1.971  -4.531  -0.123
   44    HA   CYS   5           HA       CYS   5   0.105  -3.843   1.945
   45    HB2  CYS   5           HB2      CYS   5  -0.400  -3.071  -0.260
   46    HB3  CYS   5           HB1      CYS   5  -0.265  -4.693  -0.928
   47    H    THR   6           HN       THR   6  -1.034  -5.165   3.207
   48    HA   THR   6           HA       THR   6  -0.663  -8.054   2.808
   49    HB   THR   6           HB       THR   6   0.392  -7.242   4.853
   50    HG1  THR   6           HG1      THR   6  -1.904  -8.880   5.075
   51   HG21  THR   6          HG21      THR   6  -0.996  -5.263   5.233
   52   HG22  THR   6          HG22      THR   6  -0.927  -6.276   6.676
   53   HG23  THR   6          HG23      THR   6  -2.362  -6.295   5.651
   54    H    TRP   7           HN       TRP   7  -2.831  -6.066   1.873
   55    HA   TRP   7           HA       TRP   7  -5.189  -7.056   3.214
   56    HB2  TRP   7           HB2      TRP   7  -5.031  -4.725   2.301
   57    HB3  TRP   7           HB1      TRP   7  -5.014  -5.409   0.679
   58    HD1  TRP   7           HD1      TRP   7  -7.340  -4.491   3.499
   59    HE1  TRP   7           HE1      TRP   7  -9.772  -4.899   2.779
   60    HE3  TRP   7           HE3      TRP   7  -6.485  -7.049  -0.844
   61    HZ2  TRP   7           HZ2      TRP   7 -11.150  -6.151   0.652
   62    HZ3  TRP   7           HZ3      TRP   7  -8.413  -7.816  -2.158
   63    HH2  TRP   7           HH2      TRP   7 -10.695  -7.376  -1.426
   64    HA   DPR   8           HA       DPR   8  -7.049  -9.841   0.235
   65    HB2  DPR   8           HB2      DPR   8  -7.708 -11.633   1.508
   66    HB3  DPR   8           HB1      DPR   8  -6.148 -11.753   2.336
   67    HG2  DPR   8           HG2      DPR   8  -8.404  -9.839   2.808
   68    HG3  DPR   8           HG1      DPR   8  -7.417 -10.718   3.992
   69    HD2  DPR   8           HD2      DPR   8  -6.986  -8.110   3.343
   70    HD3  DPR   8           HD1      DPR   8  -5.690  -9.208   3.858
   71    H    GLY   9           HN       GLY   9  -6.203 -10.851  -1.465
   72    HA2  GLY   9           HA2      GLY   9  -3.529 -12.042  -1.283
   73    HA3  GLY   9           HA1      GLY   9  -4.679 -12.283  -2.594
   74    H    CYS  10           HN       CYS  10  -4.185  -9.124  -1.338
   75    HA   CYS  10           HA       CYS  10  -3.107  -8.255  -3.892
   76    HB2  CYS  10           HB2      CYS  10  -5.014  -7.066  -2.903
   77    HB3  CYS  10           HB1      CYS  10  -4.052  -6.697  -1.478
   78    H    GLY  11           HN       GLY  11  -1.090  -9.502  -3.267
   79    HA2  GLY  11           HA2      GLY  11   0.565  -8.315  -1.208
   80    HA3  GLY  11           HA1      GLY  11   0.975  -9.694  -2.217
   81    H    LYS  12           HN       LYS  12   0.244  -6.246  -2.705
   82    HA   LYS  12           HA       LYS  12   2.315  -6.077  -4.731
   83    HB2  LYS  12           HB2      LYS  12   0.167  -4.908  -5.075
   84    HB3  LYS  12           HB1      LYS  12   0.472  -3.935  -3.641
   85    HG2  LYS  12           HG2      LYS  12   2.306  -2.838  -4.675
   86    HG3  LYS  12           HG1      LYS  12   2.281  -3.954  -6.043
   87    HD2  LYS  12           HD2      LYS  12   0.112  -3.102  -6.729
   88    HD3  LYS  12           HD1      LYS  12   0.066  -2.034  -5.326
   89    HE2  LYS  12           HE2      LYS  12   0.716  -0.833  -7.356
   90    HE3  LYS  12           HE1      LYS  12   2.003  -0.823  -6.155
   91    HZ1  LYS  12           HZ1      LYS  12   2.862  -1.252  -8.361
   92    HZ2  LYS  12           HZ2      LYS  12   1.858  -2.603  -8.529
   93    HZ3  LYS  12           HZ3      LYS  12   3.094  -2.608  -7.378
   94    H    ARG  13           HN       ARG  13   4.244  -5.034  -4.518
   95    HA   ARG  13           HA       ARG  13   5.064  -4.551  -1.748
   96    HB2  ARG  13           HB2      ARG  13   6.681  -5.134  -4.228
   97    HB3  ARG  13           HB1      ARG  13   7.373  -4.820  -2.643
   98    HG2  ARG  13           HG2      ARG  13   6.354  -6.796  -1.740
   99    HG3  ARG  13           HG1      ARG  13   5.467  -7.068  -3.241
  100    HD2  ARG  13           HD2      ARG  13   7.569  -7.397  -4.433
  101    HD3  ARG  13           HD1      ARG  13   8.471  -7.099  -2.947
  102    HE   ARG  13           HE       ARG  13   7.050  -9.132  -2.141
  103   HH11  ARG  13          HH11      ARG  13   8.732 -10.370  -5.573
  104   HH12  ARG  13          HH12      ARG  13   8.496  -8.676  -5.293
  105   HH21  ARG  13          HH21      ARG  13   7.355 -11.373  -2.506
  106   HH22  ARG  13          HH22      ARG  13   8.083 -11.903  -3.987
  107    H    PHE  14           HN       PHE  14   6.233  -2.764  -1.130
  108    HA   PHE  14           HA       PHE  14   6.502  -0.555  -3.037
  109    HB2  PHE  14           HB2      PHE  14   5.255  -0.310  -0.291
  110    HB3  PHE  14           HB1      PHE  14   5.551   1.016  -1.414
  111    HD1  PHE  14           HD1      PHE  14   3.413  -1.785  -0.572
  112    HD2  PHE  14           HD2      PHE  14   4.219   1.242  -3.439
  113    HE1  PHE  14           HE1      PHE  14   1.183  -2.127  -1.549
  114    HE2  PHE  14           HE2      PHE  14   1.988   0.912  -4.422
  115    HZ   PHE  14           HZ       PHE  14   0.504  -0.842  -3.527
  116    H    THR  15           HN       THR  15   8.093   0.992  -2.416
  117    HA   THR  15           HA       THR  15   9.929   0.050  -0.320
  118    HB   THR  15           HB       THR  15  10.565   1.957  -2.580
  119    HG1  THR  15           HG1      THR  15  10.366  -0.822  -2.507
  120   HG21  THR  15          HG21      THR  15  12.352   0.289  -0.797
  121   HG22  THR  15          HG22      THR  15  12.105   2.029  -0.658
  122   HG23  THR  15          HG23      THR  15  12.889   1.361  -2.089
  123    H    ARG  16           HN       ARG  16   7.649   2.393  -1.089
  124    HA   ARG  16           HA       ARG  16   8.691   4.191   0.996
  125    HB2  ARG  16           HB2      ARG  16   6.888   4.915  -1.321
  126    HB3  ARG  16           HB1      ARG  16   7.538   6.026  -0.124
  127    HG2  ARG  16           HG2      ARG  16   9.784   5.623  -0.944
  128    HG3  ARG  16           HG1      ARG  16   9.159   4.458  -2.116
  129    HD2  ARG  16           HD2      ARG  16   7.785   6.258  -3.101
  130    HD3  ARG  16           HD1      ARG  16   8.523   7.400  -1.984
  131    HE   ARG  16           HE       ARG  16  10.595   6.156  -3.345
  132   HH11  ARG  16          HH11      ARG  16   7.858   8.204  -4.067
  133   HH12  ARG  16          HH12      ARG  16   8.601   8.947  -5.445
  134   HH21  ARG  16          HH21      ARG  16  11.590   7.137  -5.177
  135   HH22  ARG  16          HH22      ARG  16  10.718   8.340  -6.078
  136    H    SER  17           HN       SER  17   7.362   4.639   2.685
  137    HA   SER  17           HA       SER  17   5.072   3.021   3.112
  138    HB2  SER  17           HB2      SER  17   4.801   4.448   5.177
  139    HB3  SER  17           HB1      SER  17   6.385   3.684   5.012
  140    HG   SER  17           HG       SER  17   5.931   6.206   5.385
  141    H    ASP  18           HN       ASP  18   5.581   6.338   2.117
  142    HA   ASP  18           HA       ASP  18   2.936   7.265   2.233
  143    HB2  ASP  18           HB2      ASP  18   4.798   8.783   1.880
  144    HB3  ASP  18           HB1      ASP  18   5.178   8.012   0.343
  145    H    GLU  19           HN       GLU  19   4.684   5.550  -0.299
  146    HA   GLU  19           HA       GLU  19   2.683   5.528  -2.250
  147    HB2  GLU  19           HB2      GLU  19   4.972   3.677  -1.649
  148    HB3  GLU  19           HB1      GLU  19   3.853   3.353  -2.959
  149    HG2  GLU  19           HG2      GLU  19   5.378   5.923  -2.710
  150    HG3  GLU  19           HG1      GLU  19   5.974   4.523  -3.598
  151    H    LEU  20           HN       LEU  20   3.422   3.265   0.361
  152    HA   LEU  20           HA       LEU  20   1.352   1.438  -0.208
  153    HB2  LEU  20           HB2      LEU  20   3.214   0.812   1.189
  154    HB3  LEU  20           HB1      LEU  20   2.801   2.048   2.362
  155    HG   LEU  20           HG       LEU  20   0.751   0.839   2.941
  156   HD11  LEU  20          HD11      LEU  20   1.713  -1.171   0.914
  157   HD12  LEU  20          HD12      LEU  20   0.233  -0.213   0.839
  158   HD13  LEU  20          HD13      LEU  20   0.419  -1.454   2.077
  159   HD21  LEU  20          HD21      LEU  20   2.856   0.364   4.136
  160   HD22  LEU  20          HD22      LEU  20   3.173  -0.954   3.007
  161   HD23  LEU  20          HD23      LEU  20   1.777  -1.029   4.079
  162    H    GLN  21           HN       GLN  21   1.450   4.365   1.779
  163    HA   GLN  21           HA       GLN  21  -1.100   4.080   2.947
  164    HB2  GLN  21           HB2      GLN  21   0.459   6.585   2.283
  165    HB3  GLN  21           HB1      GLN  21  -1.003   6.557   3.259
  166    HG2  GLN  21           HG2      GLN  21   0.120   5.153   4.909
  167    HG3  GLN  21           HG1      GLN  21   1.584   5.166   3.927
  168   HE21  GLN  21          HE21      GLN  21  -0.453   6.973   6.054
  169   HE22  GLN  21          HE22      GLN  21   0.619   8.308   6.283
  170    H    ARG  22           HN       ARG  22  -0.053   5.852   0.048
  171    HA   ARG  22           HA       ARG  22  -2.530   6.738  -0.854
  172    HB2  ARG  22           HB2      ARG  22  -0.185   5.767  -2.503
  173    HB3  ARG  22           HB1      ARG  22  -1.535   6.695  -3.128
  174    HG2  ARG  22           HG2      ARG  22  -0.903   8.588  -1.740
  175    HG3  ARG  22           HG1      ARG  22   0.427   7.649  -1.052
  176    HD2  ARG  22           HD2      ARG  22   1.424   7.428  -3.284
  177    HD3  ARG  22           HD1      ARG  22   0.101   8.369  -3.970
  178    HE   ARG  22           HE       ARG  22   1.490   9.756  -1.883
  179   HH11  ARG  22          HH11      ARG  22   2.544  10.313  -5.722
  180   HH12  ARG  22          HH12      ARG  22   1.606   8.924  -5.278
  181   HH21  ARG  22          HH21      ARG  22   2.723  11.591  -2.457
  182   HH22  ARG  22          HH22      ARG  22   3.178  11.836  -4.111
  183    H    HIS  23           HN       HIS  23  -0.839   3.712  -1.564
  184    HA   HIS  23           HA       HIS  23  -2.754   2.560  -3.225
  185    HB2  HIS  23           HB2      HIS  23  -0.557   1.622  -3.131
  186    HB3  HIS  23           HB1      HIS  23  -0.689   1.332  -1.402
  187    HD1  HIS  23           HD1      HIS  23  -1.514  -0.194  -4.715
  188    HD2  HIS  23           HD2      HIS  23  -2.302  -0.842  -0.665
  189    HE1  HIS  23           HE1      HIS  23  -2.544  -2.521  -4.529
  190    H    LYS  24           HN       LYS  24  -2.328   2.288   0.281
  191    HA   LYS  24           HA       LYS  24  -4.306   0.424   0.818
  192    HB2  LYS  24           HB2      LYS  24  -2.722   0.968   2.494
  193    HB3  LYS  24           HB1      LYS  24  -3.138   2.671   2.446
  194    HG2  LYS  24           HG2      LYS  24  -3.955   1.652   4.468
  195    HG3  LYS  24           HG1      LYS  24  -5.299   2.177   3.460
  196    HD2  LYS  24           HD2      LYS  24  -5.751  -0.073   2.772
  197    HD3  LYS  24           HD1      LYS  24  -4.273  -0.660   3.538
  198    HE2  LYS  24           HE2      LYS  24  -5.131  -0.195   5.718
  199    HE3  LYS  24           HE1      LYS  24  -6.516   0.666   5.052
  200    HZ1  LYS  24           HZ1      LYS  24  -6.986  -1.621   5.851
  201    HZ2  LYS  24           HZ2      LYS  24  -6.020  -2.224   4.602
  202    HZ3  LYS  24           HZ3      LYS  24  -7.424  -1.351   4.244
  203    H    ARG  25           HN       ARG  25  -4.609   3.796   0.041
  204    HA   ARG  25           HA       ARG  25  -7.173   4.264   1.105
  205    HB2  ARG  25           HB2      ARG  25  -5.809   5.514  -1.275
  206    HB3  ARG  25           HB1      ARG  25  -7.283   6.125  -0.537
  207    HG2  ARG  25           HG2      ARG  25  -6.015   6.377   1.595
  208    HG3  ARG  25           HG1      ARG  25  -4.555   5.946   0.702
  209    HD2  ARG  25           HD2      ARG  25  -6.350   8.313   0.164
  210    HD3  ARG  25           HD1      ARG  25  -4.740   8.363   0.881
  211    HE   ARG  25           HE       ARG  25  -4.837   7.156  -1.741
  212   HH11  ARG  25          HH11      ARG  25  -3.701  10.971  -1.226
  213   HH12  ARG  25          HH12      ARG  25  -4.517  10.135   0.053
  214   HH21  ARG  25          HH21      ARG  25  -3.270   9.903  -3.212
  215   HH22  ARG  25          HH22      ARG  25  -3.770   8.256  -3.444
  216    H    THR  26           HN       THR  26  -6.206   2.357  -1.578
  217    HA   THR  26           HA       THR  26  -8.704   2.511  -2.985
  218    HB   THR  26           HB       THR  26  -7.904   0.593  -4.285
  219    HG1  THR  26           HG1      THR  26  -5.529   0.643  -2.717
  220   HG21  THR  26          HG21      THR  26  -5.760   2.675  -3.851
  221   HG22  THR  26          HG22      THR  26  -7.156   2.835  -4.916
  222   HG23  THR  26          HG23      THR  26  -5.915   1.632  -5.263
  223    H    HIS  27           HN       HIS  27  -7.375   0.601  -0.403
  224    HA   HIS  27           HA       HIS  27  -9.622  -1.250  -0.440
  225    HB2  HIS  27           HB2      HIS  27  -7.326  -1.042   1.520
  226    HB3  HIS  27           HB1      HIS  27  -8.505  -2.344   1.449
  227    HD1  HIS  27           HD1      HIS  27  -8.463  -3.446  -1.274
  228    HD2  HIS  27           HD2      HIS  27  -5.029  -1.831   0.461
  229    HE1  HIS  27           HE1      HIS  27  -6.472  -4.459  -2.507
  230    H    THR  28           HN       THR  28  -8.273   1.318   1.569
  231    HA   THR  28           HA       THR  28 -10.861   1.513   2.956
  232    HB   THR  28           HB       THR  28  -8.185   2.166   4.200
  233    HG1  THR  28           HG1      THR  28  -9.761  -0.206   4.413
  234   HG21  THR  28          HG21      THR  28 -10.115   3.290   5.195
  235   HG22  THR  28          HG22      THR  28  -9.469   2.073   6.295
  236   HG23  THR  28          HG23      THR  28 -10.935   1.742   5.377
  237    H    GLY  29           HN       GLY  29 -11.810   3.382   2.381
  238    HA2  GLY  29           HA2      GLY  29 -11.747   5.809   2.513
  239    HA3  GLY  29           HA1      GLY  29 -10.081   5.733   1.956
  240    H    GLU  30           HN       GLU  30 -12.106   3.519   0.432
  241    HA   GLU  30           HA       GLU  30 -12.000   4.990  -2.059
  242    HB2  GLU  30           HB2      GLU  30 -11.597   2.542  -2.010
  243    HB3  GLU  30           HB1      GLU  30 -13.244   2.300  -1.444
  244    HG2  GLU  30           HG2      GLU  30 -13.207   1.831  -3.766
  245    HG3  GLU  30           HG1      GLU  30 -14.049   3.363  -3.546
  246    H    LYS  31           HN       LYS  31 -14.412   3.839   0.227
  247    HA   LYS  31           HA       LYS  31 -16.565   5.150  -1.213
  248    HB2  LYS  31           HB2      LYS  31 -16.937   2.942  -0.177
  249    HB3  LYS  31           HB1      LYS  31 -16.576   3.625   1.400
  250    HG2  LYS  31           HG2      LYS  31 -18.526   5.120   1.164
  251    HG3  LYS  31           HG1      LYS  31 -18.905   4.334  -0.371
  252    HD2  LYS  31           HD2      LYS  31 -19.165   2.199   0.771
  253    HD3  LYS  31           HD1      LYS  31 -18.737   2.954   2.307
  254    HE2  LYS  31           HE2      LYS  31 -21.137   3.620   0.605
  255    HE3  LYS  31           HE1      LYS  31 -21.158   2.677   2.093
  256    HZ1  LYS  31           HZ1      LYS  31 -21.814   4.901   2.579
  257    HZ2  LYS  31           HZ2      LYS  31 -20.457   5.545   1.811
  258    HZ3  LYS  31           HZ3      LYS  31 -20.279   4.666   3.242
  259    HN1  NH2  32           HN1      NH2  32 -16.030   7.311  -1.028
  260    HN2  NH2  32           HN2      NH2  32 -16.068   8.176   0.471
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1  14.507   1.132   4.508
    2    H2   ARG   1           HT2      ARG   1  13.083   1.684   3.781
    3    H3   ARG   1           HT3      ARG   1  14.222   0.835   2.870
    4    HA   ARG   1           HA       ARG   1  13.845  -1.152   4.120
    5    HB2  ARG   1           HB2      ARG   1  12.071  -1.241   5.801
    6    HB3  ARG   1           HB1      ARG   1  13.301  -0.074   6.259
    7    HG2  ARG   1           HG2      ARG   1  11.876   1.749   5.541
    8    HG3  ARG   1           HG1      ARG   1  10.655   0.601   4.987
    9    HD2  ARG   1           HD2      ARG   1  10.031   1.474   7.159
   10    HD3  ARG   1           HD1      ARG   1  10.439  -0.239   7.295
   11    HE   ARG   1           HE       ARG   1  12.645   1.520   7.844
   12   HH11  ARG   1          HH11      ARG   1   9.860  -0.110   9.199
   13   HH12  ARG   1          HH12      ARG   1  10.470  -0.074  10.823
   14   HH21  ARG   1          HH21      ARG   1  12.504   0.899  11.268
   15   HH22  ARG   1          HH22      ARG   1  13.446   1.582   9.980
   16    HA   PRO   2           HA       PRO   2  10.662  -1.779   1.106
   17    HB2  PRO   2           HB2      PRO   2  10.201  -4.398   1.408
   18    HB3  PRO   2           HB1      PRO   2  11.754  -3.801   0.796
   19    HG2  PRO   2           HG2      PRO   2  11.037  -4.777   3.529
   20    HG3  PRO   2           HG1      PRO   2  12.520  -5.045   2.594
   21    HD2  PRO   2           HD2      PRO   2  12.225  -3.146   4.603
   22    HD3  PRO   2           HD1      PRO   2  13.462  -3.102   3.332
   23    H    PHE   3           HN       PHE   3   8.454  -1.962   0.886
   24    HA   PHE   3           HA       PHE   3   6.895  -2.378   3.346
   25    HB2  PHE   3           HB2      PHE   3   6.500  -0.302   1.188
   26    HB3  PHE   3           HB1      PHE   3   5.290  -0.679   2.407
   27    HD1  PHE   3           HD1      PHE   3   8.437   0.962   1.711
   28    HD2  PHE   3           HD2      PHE   3   5.681  -0.121   4.759
   29    HE1  PHE   3           HE1      PHE   3   9.502   2.571   3.237
   30    HE2  PHE   3           HE2      PHE   3   6.739   1.480   6.294
   31    HZ   PHE   3           HZ       PHE   3   8.651   2.809   5.559
   32    H    NLE   4           HN       NLE   4   4.797  -3.302   3.030
   33    HA   NLE   4           HA       NLE   4   4.131  -4.231   0.366
   34    HB2  NLE   4           HB1      NLE   4   4.716  -6.133   2.634
   35    HB3  NLE   4           HB2      NLE   4   5.650  -5.961   1.158
   36    HG2  NLE   4           HG1      NLE   4   3.718  -6.748  -0.140
   37    HG3  NLE   4           HG2      NLE   4   2.818  -6.963   1.363
   38    HD2  NLE   4           HD1      NLE   4   4.530  -8.572   2.127
   39    HD3  NLE   4           HD2      NLE   4   5.354  -8.400   0.570
   40    HE1  NLE   4           HE1      NLE   4   3.325  -9.178  -0.570
   41    HE2  NLE   4           HE2      NLE   4   2.533  -9.382   0.992
   42    HE3  NLE   4           HE3      NLE   4   3.931 -10.375   0.574
   43    H    CYS   5           HN       CYS   5   1.996  -4.331   0.070
   44    HA   CYS   5           HA       CYS   5   0.208  -3.933   2.304
   45    HB2  CYS   5           HB2      CYS   5  -0.362  -2.758   0.302
   46    HB3  CYS   5           HB1      CYS   5  -0.227  -4.220  -0.666
   47    H    THR   6           HN       THR   6  -1.064  -5.466   3.224
   48    HA   THR   6           HA       THR   6  -1.032  -8.137   2.014
   49    HB   THR   6           HB       THR   6   0.649  -8.084   3.810
   50    HG1  THR   6           HG1      THR   6  -1.119  -9.887   3.467
   51   HG21  THR   6          HG21      THR   6  -1.659  -7.380   5.617
   52   HG22  THR   6          HG22      THR   6  -0.292  -6.342   5.214
   53   HG23  THR   6          HG23      THR   6  -0.036  -7.813   6.152
   54    H    TRP   7           HN       TRP   7  -2.990  -6.063   1.901
   55    HA   TRP   7           HA       TRP   7  -5.113  -6.747   3.733
   56    HB2  TRP   7           HB2      TRP   7  -4.735  -4.424   2.824
   57    HB3  TRP   7           HB1      TRP   7  -5.251  -5.020   1.251
   58    HD1  TRP   7           HD1      TRP   7  -6.584  -3.928   4.615
   59    HE1  TRP   7           HE1      TRP   7  -9.146  -3.809   4.526
   60    HE3  TRP   7           HE3      TRP   7  -7.337  -6.167   0.081
   61    HZ2  TRP   7           HZ2      TRP   7 -11.217  -4.566   2.768
   62    HZ3  TRP   7           HZ3      TRP   7  -9.647  -6.435  -0.725
   63    HH2  TRP   7           HH2      TRP   7 -11.541  -5.652   0.588
   64    HA   DPR   8           HA       DPR   8  -7.980  -8.968   1.019
   65    HB2  DPR   8           HB2      DPR   8  -8.993 -10.447   2.446
   66    HB3  DPR   8           HB1      DPR   8  -7.457 -11.007   3.118
   67    HG2  DPR   8           HG2      DPR   8  -9.017  -8.536   3.763
   68    HG3  DPR   8           HG1      DPR   8  -8.191  -9.656   4.863
   69    HD2  DPR   8           HD2      DPR   8  -7.117  -7.281   4.128
   70    HD3  DPR   8           HD1      DPR   8  -6.124  -8.711   4.471
   71    H    GLY   9           HN       GLY   9  -7.225  -9.873  -0.794
   72    HA2  GLY   9           HA2      GLY   9  -5.150 -11.953  -0.569
   73    HA3  GLY   9           HA1      GLY   9  -6.302 -11.814  -1.892
   74    H    CYS  10           HN       CYS  10  -5.080  -8.854  -0.860
   75    HA   CYS  10           HA       CYS  10  -3.554  -8.562  -3.314
   76    HB2  CYS  10           HB2      CYS  10  -5.139  -6.826  -2.733
   77    HB3  CYS  10           HB1      CYS  10  -4.395  -6.618  -1.156
   78    H    GLY  11           HN       GLY  11  -1.356  -8.077  -3.392
   79    HA2  GLY  11           HA2      GLY  11   0.144  -7.950  -0.891
   80    HA3  GLY  11           HA1      GLY  11   0.469  -9.320  -1.942
   81    H    LYS  12           HN       LYS  12  -0.187  -5.935  -2.758
   82    HA   LYS  12           HA       LYS  12   2.008  -5.886  -4.598
   83    HB2  LYS  12           HB2      LYS  12  -0.128  -4.642  -4.964
   84    HB3  LYS  12           HB1      LYS  12   0.302  -3.581  -3.629
   85    HG2  LYS  12           HG2      LYS  12   2.147  -2.687  -4.810
   86    HG3  LYS  12           HG1      LYS  12   2.032  -3.925  -6.064
   87    HD2  LYS  12           HD2      LYS  12  -0.164  -3.024  -6.722
   88    HD3  LYS  12           HD1      LYS  12  -0.003  -1.767  -5.495
   89    HE2  LYS  12           HE2      LYS  12   1.959  -0.885  -6.625
   90    HE3  LYS  12           HE1      LYS  12   1.878  -2.179  -7.819
   91    HZ1  LYS  12           HZ1      LYS  12  -0.238  -0.149  -7.391
   92    HZ2  LYS  12           HZ2      LYS  12  -0.208  -1.326  -8.601
   93    HZ3  LYS  12           HZ3      LYS  12   0.929  -0.074  -8.608
   94    H    ARG  13           HN       ARG  13   3.957  -4.854  -4.405
   95    HA   ARG  13           HA       ARG  13   4.709  -4.235  -1.632
   96    HB2  ARG  13           HB2      ARG  13   6.420  -5.312  -3.873
   97    HB3  ARG  13           HB1      ARG  13   6.966  -4.991  -2.232
   98    HG2  ARG  13           HG2      ARG  13   5.476  -6.687  -1.367
   99    HG3  ARG  13           HG1      ARG  13   4.828  -6.969  -2.982
  100    HD2  ARG  13           HD2      ARG  13   7.058  -7.682  -3.731
  101    HD3  ARG  13           HD1      ARG  13   7.672  -7.438  -2.095
  102    HE   ARG  13           HE       ARG  13   5.452  -9.305  -2.530
  103   HH11  ARG  13          HH11      ARG  13   9.023 -10.344  -1.007
  104   HH12  ARG  13          HH12      ARG  13   8.813  -8.763  -1.687
  105   HH21  ARG  13          HH21      ARG  13   5.731 -11.380  -1.649
  106   HH22  ARG  13          HH22      ARG  13   7.270 -11.838  -0.987
  107    H    PHE  14           HN       PHE  14   6.095  -2.547  -1.196
  108    HA   PHE  14           HA       PHE  14   6.651  -0.638  -3.355
  109    HB2  PHE  14           HB2      PHE  14   5.439   0.132  -0.691
  110    HB3  PHE  14           HB1      PHE  14   5.795   1.208  -2.040
  111    HD1  PHE  14           HD1      PHE  14   3.499  -1.250  -0.684
  112    HD2  PHE  14           HD2      PHE  14   4.414   1.187  -4.045
  113    HE1  PHE  14           HE1      PHE  14   1.219  -1.586  -1.542
  114    HE2  PHE  14           HE2      PHE  14   2.133   0.859  -4.911
  115    HZ   PHE  14           HZ       PHE  14   0.579  -0.621  -3.728
  116    H    THR  15           HN       THR  15   8.068   1.204  -2.363
  117    HA   THR  15           HA       THR  15   9.865   0.068  -0.322
  118    HB   THR  15           HB       THR  15  10.787   1.974  -2.472
  119    HG1  THR  15           HG1      THR  15   9.907  -0.031  -3.371
  120   HG21  THR  15          HG21      THR  15  12.215   1.669  -0.470
  121   HG22  THR  15          HG22      THR  15  12.989   1.079  -1.940
  122   HG23  THR  15          HG23      THR  15  12.276  -0.063  -0.801
  123    H    ARG  16           HN       ARG  16   7.601   2.332  -0.903
  124    HA   ARG  16           HA       ARG  16   8.716   4.146   1.111
  125    HB2  ARG  16           HB2      ARG  16   7.217   4.886  -1.406
  126    HB3  ARG  16           HB1      ARG  16   7.488   6.006  -0.078
  127    HG2  ARG  16           HG2      ARG  16   9.712   4.613  -1.532
  128    HG3  ARG  16           HG1      ARG  16   9.068   6.182  -2.022
  129    HD2  ARG  16           HD2      ARG  16  10.266   5.532   0.673
  130    HD3  ARG  16           HD1      ARG  16  11.077   6.406  -0.626
  131    HE   ARG  16           HE       ARG  16   8.620   7.661   0.036
  132   HH11  ARG  16          HH11      ARG  16  11.901   7.238   1.187
  133   HH12  ARG  16          HH12      ARG  16  11.908   8.721   2.089
  134   HH21  ARG  16          HH21      ARG  16   8.639   9.624   1.211
  135   HH22  ARG  16          HH22      ARG  16  10.058  10.071   2.109
  136    H    SER  17           HN       SER  17   7.356   4.719   2.712
  137    HA   SER  17           HA       SER  17   5.054   3.142   3.163
  138    HB2  SER  17           HB2      SER  17   6.604   4.105   4.922
  139    HB3  SER  17           HB1      SER  17   5.834   5.667   4.638
  140    HG   SER  17           HG       SER  17   5.017   3.684   6.203
  141    H    ASP  18           HN       ASP  18   5.576   6.345   1.872
  142    HA   ASP  18           HA       ASP  18   2.892   7.247   2.053
  143    HB2  ASP  18           HB2      ASP  18   3.531   8.947   0.397
  144    HB3  ASP  18           HB1      ASP  18   4.707   8.831   1.695
  145    H    GLU  19           HN       GLU  19   4.625   5.360  -0.350
  146    HA   GLU  19           HA       GLU  19   2.583   5.364  -2.306
  147    HB2  GLU  19           HB2      GLU  19   4.793   3.384  -1.758
  148    HB3  GLU  19           HB1      GLU  19   3.727   3.302  -3.147
  149    HG2  GLU  19           HG2      GLU  19   4.551   5.485  -3.893
  150    HG3  GLU  19           HG1      GLU  19   5.641   5.530  -2.507
  151    H    LEU  20           HN       LEU  20   3.463   3.155   0.305
  152    HA   LEU  20           HA       LEU  20   1.453   1.254  -0.139
  153    HB2  LEU  20           HB2      LEU  20   3.324   0.744   1.271
  154    HB3  LEU  20           HB1      LEU  20   2.914   2.041   2.376
  155    HG   LEU  20           HG       LEU  20   0.874   0.833   3.035
  156   HD11  LEU  20          HD11      LEU  20   1.913  -1.288   1.170
  157   HD12  LEU  20          HD12      LEU  20   0.404  -0.386   1.020
  158   HD13  LEU  20          HD13      LEU  20   0.624  -1.527   2.346
  159   HD21  LEU  20          HD21      LEU  20   2.997   0.523   4.260
  160   HD22  LEU  20          HD22      LEU  20   3.339  -0.885   3.255
  161   HD23  LEU  20          HD23      LEU  20   1.946  -0.889   4.331
  162    H    GLN  21           HN       GLN  21   1.484   4.163   1.891
  163    HA   GLN  21           HA       GLN  21  -1.057   3.806   3.035
  164    HB2  GLN  21           HB2      GLN  21   0.558   6.301   2.516
  165    HB3  GLN  21           HB1      GLN  21  -0.968   6.307   3.389
  166    HG2  GLN  21           HG2      GLN  21  -0.037   4.845   5.083
  167    HG3  GLN  21           HG1      GLN  21   1.481   4.752   4.193
  168   HE21  GLN  21          HE21      GLN  21   2.840   6.546   4.149
  169   HE22  GLN  21          HE22      GLN  21   2.684   7.842   5.284
  170    H    ARG  22           HN       ARG  22  -0.059   5.698   0.185
  171    HA   ARG  22           HA       ARG  22  -2.600   6.582  -0.563
  172    HB2  ARG  22           HB2      ARG  22  -0.537   7.444  -1.589
  173    HB3  ARG  22           HB1      ARG  22  -0.267   5.887  -2.364
  174    HG2  ARG  22           HG2      ARG  22  -2.373   6.165  -3.603
  175    HG3  ARG  22           HG1      ARG  22  -2.571   7.757  -2.870
  176    HD2  ARG  22           HD2      ARG  22  -0.463   8.485  -3.901
  177    HD3  ARG  22           HD1      ARG  22  -0.282   6.891  -4.639
  178    HE   ARG  22           HE       ARG  22  -2.786   8.043  -5.309
  179   HH11  ARG  22          HH11      ARG  22   0.361   8.795  -7.681
  180   HH12  ARG  22          HH12      ARG  22   0.616   8.208  -6.070
  181   HH21  ARG  22          HH21      ARG  22  -3.144   8.804  -7.416
  182   HH22  ARG  22          HH22      ARG  22  -1.790   9.139  -8.449
  183    H    HIS  23           HN       HIS  23  -0.827   3.658  -1.463
  184    HA   HIS  23           HA       HIS  23  -2.698   2.527  -3.174
  185    HB2  HIS  23           HB2      HIS  23  -0.527   1.575  -3.095
  186    HB3  HIS  23           HB1      HIS  23  -0.623   1.312  -1.358
  187    HD1  HIS  23           HD1      HIS  23  -1.460  -0.300  -4.623
  188    HD2  HIS  23           HD2      HIS  23  -2.209  -0.864  -0.563
  189    HE1  HIS  23           HE1      HIS  23  -2.462  -2.634  -4.382
  190    H    LYS  24           HN       LYS  24  -2.372   2.189   0.351
  191    HA   LYS  24           HA       LYS  24  -4.413   0.346   0.762
  192    HB2  LYS  24           HB2      LYS  24  -3.280   2.507   2.515
  193    HB3  LYS  24           HB1      LYS  24  -4.582   1.466   3.069
  194    HG2  LYS  24           HG2      LYS  24  -1.863   0.543   2.160
  195    HG3  LYS  24           HG1      LYS  24  -2.409   0.671   3.830
  196    HD2  LYS  24           HD2      LYS  24  -4.229  -0.948   3.286
  197    HD3  LYS  24           HD1      LYS  24  -3.500  -1.155   1.694
  198    HE2  LYS  24           HE2      LYS  24  -2.787  -2.941   3.153
  199    HE3  LYS  24           HE1      LYS  24  -1.415  -1.902   2.772
  200    HZ1  LYS  24           HZ1      LYS  24  -1.739  -0.800   4.921
  201    HZ2  LYS  24           HZ2      LYS  24  -1.420  -2.447   5.099
  202    HZ3  LYS  24           HZ3      LYS  24  -2.996  -1.869   5.284
  203    H    ARG  25           HN       ARG  25  -4.590   3.756   0.110
  204    HA   ARG  25           HA       ARG  25  -7.197   4.195   1.096
  205    HB2  ARG  25           HB2      ARG  25  -5.765   5.644  -1.126
  206    HB3  ARG  25           HB1      ARG  25  -7.191   6.223  -0.276
  207    HG2  ARG  25           HG2      ARG  25  -5.801   6.105   1.836
  208    HG3  ARG  25           HG1      ARG  25  -4.410   5.867   0.778
  209    HD2  ARG  25           HD2      ARG  25  -6.237   8.257   0.918
  210    HD3  ARG  25           HD1      ARG  25  -4.512   8.192   1.268
  211    HE   ARG  25           HE       ARG  25  -5.530   7.695  -1.449
  212   HH11  ARG  25          HH11      ARG  25  -2.669  10.359  -0.523
  213   HH12  ARG  25          HH12      ARG  25  -3.389   9.409   0.737
  214   HH21  ARG  25          HH21      ARG  25  -3.336  10.090  -2.698
  215   HH22  ARG  25          HH22      ARG  25  -4.575   8.946  -3.100
  216    H    THR  26           HN       THR  26  -6.135   2.431  -1.621
  217    HA   THR  26           HA       THR  26  -8.548   2.757  -3.145
  218    HB   THR  26           HB       THR  26  -7.770   0.868  -4.496
  219    HG1  THR  26           HG1      THR  26  -5.513   0.729  -2.762
  220   HG21  THR  26          HG21      THR  26  -6.881   3.103  -4.971
  221   HG22  THR  26          HG22      THR  26  -5.698   1.848  -5.337
  222   HG23  THR  26          HG23      THR  26  -5.542   2.804  -3.864
  223    H    HIS  27           HN       HIS  27  -7.308   0.468  -0.761
  224    HA   HIS  27           HA       HIS  27  -9.547  -1.308  -0.962
  225    HB2  HIS  27           HB2      HIS  27  -7.502  -1.008   1.250
  226    HB3  HIS  27           HB1      HIS  27  -8.666  -2.321   1.116
  227    HD1  HIS  27           HD1      HIS  27  -8.345  -3.505  -1.562
  228    HD2  HIS  27           HD2      HIS  27  -5.109  -1.852   0.480
  229    HE1  HIS  27           HE1      HIS  27  -6.244  -4.547  -2.559
  230    H    THR  28           HN       THR  28  -8.538   1.259   1.246
  231    HA   THR  28           HA       THR  28 -11.037   1.096   2.710
  232    HB   THR  28           HB       THR  28  -8.929   3.216   3.078
  233    HG1  THR  28           HG1      THR  28  -8.821   0.460   3.686
  234   HG21  THR  28          HG21      THR  28 -10.771   1.789   5.009
  235   HG22  THR  28          HG22      THR  28 -11.002   3.420   4.381
  236   HG23  THR  28          HG23      THR  28  -9.628   3.065   5.426
  237    H    GLY  29           HN       GLY  29 -10.775   1.954  -0.191
  238    HA2  GLY  29           HA2      GLY  29 -11.367   4.739  -0.334
  239    HA3  GLY  29           HA1      GLY  29 -11.592   3.565  -1.621
  240    H    GLU  30           HN       GLU  30 -13.259   1.898   0.170
  241    HA   GLU  30           HA       GLU  30 -15.778   3.196  -0.372
  242    HB2  GLU  30           HB2      GLU  30 -16.766   1.072   0.418
  243    HB3  GLU  30           HB1      GLU  30 -15.561   0.819  -0.837
  244    HG2  GLU  30           HG2      GLU  30 -13.920   0.208   0.871
  245    HG3  GLU  30           HG1      GLU  30 -15.140   0.448   2.120
  246    H    LYS  31           HN       LYS  31 -13.618   3.426   2.080
  247    HA   LYS  31           HA       LYS  31 -15.724   4.104   4.013
  248    HB2  LYS  31           HB2      LYS  31 -14.614   1.985   4.662
  249    HB3  LYS  31           HB1      LYS  31 -13.069   2.823   4.678
  250    HG2  LYS  31           HG2      LYS  31 -13.971   4.326   6.442
  251    HG3  LYS  31           HG1      LYS  31 -15.420   3.320   6.487
  252    HD2  LYS  31           HD2      LYS  31 -14.084   1.389   7.112
  253    HD3  LYS  31           HD1      LYS  31 -12.611   2.355   7.012
  254    HE2  LYS  31           HE2      LYS  31 -13.502   3.823   8.792
  255    HE3  LYS  31           HE1      LYS  31 -14.906   2.766   8.925
  256    HZ1  LYS  31           HZ1      LYS  31 -13.415   0.950   9.522
  257    HZ2  LYS  31           HZ2      LYS  31 -13.280   2.236  10.608
  258    HZ3  LYS  31           HZ3      LYS  31 -12.086   1.993   9.437
  259    HN1  NH2  32           HN1      NH2  32 -15.476   6.225   3.140
  260    HN2  NH2  32           HN2      NH2  32 -14.141   7.222   3.606
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1  13.841  -0.332   5.231
    2    H2   ARG   1           HT2      ARG   1  13.660  -0.468   6.909
    3    H3   ARG   1           HT3      ARG   1  12.508   0.367   5.998
    4    HA   ARG   1           HA       ARG   1  13.086  -2.517   5.726
    5    HB2  ARG   1           HB2      ARG   1  10.944  -2.885   6.863
    6    HB3  ARG   1           HB1      ARG   1  12.071  -2.030   7.904
    7    HG2  ARG   1           HG2      ARG   1  10.935   0.059   7.478
    8    HG3  ARG   1           HG1      ARG   1   9.856  -0.734   6.331
    9    HD2  ARG   1           HD2      ARG   1   8.953  -2.121   8.114
   10    HD3  ARG   1           HD1      ARG   1  10.066  -1.392   9.268
   11    HE   ARG   1           HE       ARG   1   8.881   0.758   8.751
   12   HH11  ARG   1          HH11      ARG   1   7.265  -2.337   8.389
   13   HH12  ARG   1          HH12      ARG   1   5.681  -1.673   8.637
   14   HH21  ARG   1          HH21      ARG   1   5.416   0.568   9.030
   15   HH22  ARG   1          HH22      ARG   1   6.795   1.616   9.075
   16    HA   PRO   2           HA       PRO   2  10.769  -2.034   1.937
   17    HB2  PRO   2           HB2      PRO   2  10.045  -4.622   1.562
   18    HB3  PRO   2           HB1      PRO   2  11.694  -4.043   1.272
   19    HG2  PRO   2           HG2      PRO   2  10.577  -5.480   3.649
   20    HG3  PRO   2           HG1      PRO   2  12.116  -5.739   2.804
   21    HD2  PRO   2           HD2      PRO   2  11.938  -4.341   5.123
   22    HD3  PRO   2           HD1      PRO   2  13.146  -3.974   3.874
   23    H    PHE   3           HN       PHE   3   8.594  -1.908   1.289
   24    HA   PHE   3           HA       PHE   3   6.686  -2.354   3.485
   25    HB2  PHE   3           HB2      PHE   3   6.582  -0.362   1.216
   26    HB3  PHE   3           HB1      PHE   3   5.337  -0.566   2.443
   27    HD1  PHE   3           HD1      PHE   3   8.510   0.899   1.632
   28    HD2  PHE   3           HD2      PHE   3   5.862  -0.041   4.821
   29    HE1  PHE   3           HE1      PHE   3   9.692   2.502   3.076
   30    HE2  PHE   3           HE2      PHE   3   7.037   1.554   6.274
   31    HZ   PHE   3           HZ       PHE   3   8.953   2.801   5.438
   32    H    NLE   4           HN       NLE   4   4.644  -3.209   3.027
   33    HA   NLE   4           HA       NLE   4   4.015  -4.101   0.358
   34    HB2  NLE   4           HB1      NLE   4   4.452  -6.120   2.558
   35    HB3  NLE   4           HB2      NLE   4   5.552  -5.853   1.217
   36    HG2  NLE   4           HG1      NLE   4   3.774  -6.520  -0.347
   37    HG3  NLE   4           HG2      NLE   4   2.716  -6.848   1.027
   38    HD2  NLE   4           HD1      NLE   4   4.221  -8.572   1.823
   39    HD3  NLE   4           HD2      NLE   4   5.373  -8.198   0.531
   40    HE1  NLE   4           HE1      NLE   4   3.686  -8.821  -1.134
   41    HE2  NLE   4           HE2      NLE   4   2.559  -9.214   0.162
   42    HE3  NLE   4           HE3      NLE   4   4.036 -10.157  -0.036
   43    H    CYS   5           HN       CYS   5   1.859  -4.366   0.074
   44    HA   CYS   5           HA       CYS   5   0.113  -3.668   2.251
   45    HB2  CYS   5           HB2      CYS   5  -0.463  -2.758   0.128
   46    HB3  CYS   5           HB1      CYS   5  -0.388  -4.338  -0.641
   47    H    THR   6           HN       THR   6  -1.257  -4.966   3.349
   48    HA   THR   6           HA       THR   6  -1.100  -7.847   2.777
   49    HB   THR   6           HB       THR   6  -1.172  -8.202   5.268
   50    HG1  THR   6           HG1      THR   6  -1.877  -5.962   5.682
   51   HG21  THR   6          HG21      THR   6   0.923  -8.425   4.036
   52   HG22  THR   6          HG22      THR   6   1.212  -7.720   5.625
   53   HG23  THR   6          HG23      THR   6   1.213  -6.694   4.190
   54    H    TRP   7           HN       TRP   7  -3.137  -5.649   2.275
   55    HA   TRP   7           HA       TRP   7  -5.341  -6.238   4.018
   56    HB2  TRP   7           HB2      TRP   7  -4.969  -4.025   2.858
   57    HB3  TRP   7           HB1      TRP   7  -5.417  -4.815   1.350
   58    HD1  TRP   7           HD1      TRP   7  -6.894  -3.301   4.473
   59    HE1  TRP   7           HE1      TRP   7  -9.458  -3.289   4.302
   60    HE3  TRP   7           HE3      TRP   7  -7.443  -6.222   0.312
   61    HZ2  TRP   7           HZ2      TRP   7 -11.451  -4.380   2.633
   62    HZ3  TRP   7           HZ3      TRP   7  -9.718  -6.691  -0.498
   63    HH2  TRP   7           HH2      TRP   7 -11.673  -5.790   0.634
   64    HA   DPR   8           HA       DPR   8  -8.034  -8.810   1.464
   65    HB2  DPR   8           HB2      DPR   8  -9.081 -10.142   3.001
   66    HB3  DPR   8           HB1      DPR   8  -7.565 -10.602   3.786
   67    HG2  DPR   8           HG2      DPR   8  -9.168  -8.090   4.087
   68    HG3  DPR   8           HG1      DPR   8  -8.397  -9.082   5.341
   69    HD2  DPR   8           HD2      DPR   8  -7.279  -6.803   4.428
   70    HD3  DPR   8           HD1      DPR   8  -6.301  -8.198   4.929
   71    H    GLY   9           HN       GLY   9  -7.132  -9.807  -0.225
   72    HA2  GLY   9           HA2      GLY   9  -4.954 -11.739   0.289
   73    HA3  GLY   9           HA1      GLY   9  -6.120 -11.893  -1.021
   74    H    CYS  10           HN       CYS  10  -5.201  -8.723  -0.450
   75    HA   CYS  10           HA       CYS  10  -3.903  -8.512  -2.995
   76    HB2  CYS  10           HB2      CYS  10  -5.423  -6.784  -2.182
   77    HB3  CYS  10           HB1      CYS  10  -4.401  -6.511  -0.780
   78    H    GLY  11           HN       GLY  11  -1.725  -8.085  -3.395
   79    HA2  GLY  11           HA2      GLY  11   0.110  -8.014  -1.126
   80    HA3  GLY  11           HA1      GLY  11   0.217  -9.402  -2.195
   81    H    LYS  12           HN       LYS  12   0.185  -5.857  -2.306
   82    HA   LYS  12           HA       LYS  12   2.141  -5.992  -4.490
   83    HB2  LYS  12           HB2      LYS  12   0.021  -4.782  -4.970
   84    HB3  LYS  12           HB1      LYS  12   0.386  -3.670  -3.659
   85    HG2  LYS  12           HG2      LYS  12   2.278  -2.805  -4.812
   86    HG3  LYS  12           HG1      LYS  12   2.174  -4.061  -6.046
   87    HD2  LYS  12           HD2      LYS  12   0.046  -1.981  -5.543
   88    HD3  LYS  12           HD1      LYS  12   1.296  -1.847  -6.779
   89    HE2  LYS  12           HE2      LYS  12  -0.787  -4.023  -6.598
   90    HE3  LYS  12           HE1      LYS  12  -0.818  -2.657  -7.710
   91    HZ1  LYS  12           HZ1      LYS  12   0.010  -4.673  -8.764
   92    HZ2  LYS  12           HZ2      LYS  12   1.274  -4.763  -7.646
   93    HZ3  LYS  12           HZ3      LYS  12   1.199  -3.472  -8.733
   94    H    ARG  13           HN       ARG  13   4.119  -5.042  -4.255
   95    HA   ARG  13           HA       ARG  13   4.780  -4.215  -1.520
   96    HB2  ARG  13           HB2      ARG  13   6.512  -5.341  -3.716
   97    HB3  ARG  13           HB1      ARG  13   7.136  -4.752  -2.182
   98    HG2  ARG  13           HG2      ARG  13   5.823  -6.423  -0.995
   99    HG3  ARG  13           HG1      ARG  13   5.180  -7.008  -2.530
  100    HD2  ARG  13           HD2      ARG  13   6.994  -8.432  -1.763
  101    HD3  ARG  13           HD1      ARG  13   7.445  -7.599  -3.248
  102    HE   ARG  13           HE       ARG  13   8.603  -5.977  -1.640
  103   HH11  ARG  13          HH11      ARG  13   9.709  -9.525  -0.118
  104   HH12  ARG  13          HH12      ARG  13   8.271  -9.417  -1.080
  105   HH21  ARG  13          HH21      ARG  13  10.506  -6.118  -0.390
  106   HH22  ARG  13          HH22      ARG  13  10.988  -7.646   0.274
  107    H    PHE  14           HN       PHE  14   6.106  -2.456  -1.105
  108    HA   PHE  14           HA       PHE  14   6.571  -0.562  -3.294
  109    HB2  PHE  14           HB2      PHE  14   5.264   0.171  -0.665
  110    HB3  PHE  14           HB1      PHE  14   5.636   1.271  -1.990
  111    HD1  PHE  14           HD1      PHE  14   3.376  -1.282  -0.751
  112    HD2  PHE  14           HD2      PHE  14   4.338   1.229  -4.046
  113    HE1  PHE  14           HE1      PHE  14   1.144  -1.685  -1.707
  114    HE2  PHE  14           HE2      PHE  14   2.108   0.834  -5.009
  115    HZ   PHE  14           HZ       PHE  14   0.558  -0.717  -3.902
  116    H    THR  15           HN       THR  15   8.045   1.198  -2.633
  117    HA   THR  15           HA       THR  15   9.936   0.275  -0.573
  118    HB   THR  15           HB       THR  15  11.555   1.830  -1.789
  119    HG1  THR  15           HG1      THR  15  10.063   1.531  -4.113
  120   HG21  THR  15          HG21      THR  15  12.029   0.173  -3.556
  121   HG22  THR  15          HG22      THR  15  10.465  -0.581  -3.249
  122   HG23  THR  15          HG23      THR  15  11.708  -0.589  -2.000
  123    H    ARG  16           HN       ARG  16   7.460   2.299  -0.858
  124    HA   ARG  16           HA       ARG  16   8.614   4.211   1.047
  125    HB2  ARG  16           HB2      ARG  16   6.720   4.923  -1.201
  126    HB3  ARG  16           HB1      ARG  16   7.311   6.030   0.025
  127    HG2  ARG  16           HG2      ARG  16   9.575   5.777  -0.840
  128    HG3  ARG  16           HG1      ARG  16   8.981   4.654  -2.067
  129    HD2  ARG  16           HD2      ARG  16   7.509   6.436  -2.928
  130    HD3  ARG  16           HD1      ARG  16   8.193   7.547  -1.748
  131    HE   ARG  16           HE       ARG  16  10.290   6.474  -3.245
  132   HH11  ARG  16          HH11      ARG  16   7.520   8.561  -3.660
  133   HH12  ARG  16          HH12      ARG  16   8.212   9.440  -4.984
  134   HH21  ARG  16          HH21      ARG  16  11.220   7.642  -4.997
  135   HH22  ARG  16          HH22      ARG  16  10.314   8.917  -5.745
  136    H    SER  17           HN       SER  17   7.345   4.623   2.770
  137    HA   SER  17           HA       SER  17   5.089   3.026   3.329
  138    HB2  SER  17           HB2      SER  17   6.627   4.023   5.041
  139    HB3  SER  17           HB1      SER  17   5.934   5.606   4.684
  140    HG   SER  17           HG       SER  17   4.045   3.697   5.229
  141    H    ASP  18           HN       ASP  18   5.501   6.329   2.186
  142    HA   ASP  18           HA       ASP  18   2.798   7.115   2.253
  143    HB2  ASP  18           HB2      ASP  18   4.465   8.802   1.985
  144    HB3  ASP  18           HB1      ASP  18   5.120   8.023   0.550
  145    H    GLU  19           HN       GLU  19   4.685   5.419  -0.192
  146    HA   GLU  19           HA       GLU  19   2.712   5.395  -2.197
  147    HB2  GLU  19           HB2      GLU  19   5.055   3.597  -1.633
  148    HB3  GLU  19           HB1      GLU  19   3.972   3.318  -2.984
  149    HG2  GLU  19           HG2      GLU  19   5.566   5.823  -2.517
  150    HG3  GLU  19           HG1      GLU  19   5.983   4.533  -3.646
  151    H    LEU  20           HN       LEU  20   3.515   3.126   0.387
  152    HA   LEU  20           HA       LEU  20   1.555   1.207  -0.204
  153    HB2  LEU  20           HB2      LEU  20   3.329   0.653   1.291
  154    HB3  LEU  20           HB1      LEU  20   2.908   1.962   2.378
  155    HG   LEU  20           HG       LEU  20   0.850   0.803   3.010
  156   HD11  LEU  20          HD11      LEU  20   1.802  -1.356   1.138
  157   HD12  LEU  20          HD12      LEU  20   0.377  -0.338   0.926
  158   HD13  LEU  20          HD13      LEU  20   0.445  -1.492   2.256
  159   HD21  LEU  20          HD21      LEU  20   3.252  -1.009   3.188
  160   HD22  LEU  20          HD22      LEU  20   1.849  -1.012   4.255
  161   HD23  LEU  20          HD23      LEU  20   2.942   0.370   4.239
  162    H    GLN  21           HN       GLN  21   1.457   4.052   1.924
  163    HA   GLN  21           HA       GLN  21  -1.142   3.645   2.910
  164    HB2  GLN  21           HB2      GLN  21   0.408   6.210   2.519
  165    HB3  GLN  21           HB1      GLN  21  -1.098   6.091   3.419
  166    HG2  GLN  21           HG2      GLN  21  -0.058   4.627   5.035
  167    HG3  GLN  21           HG1      GLN  21   1.438   4.621   4.105
  168   HE21  GLN  21          HE21      GLN  21  -0.602   6.421   6.240
  169   HE22  GLN  21          HE22      GLN  21   0.525   7.690   6.578
  170    H    ARG  22           HN       ARG  22   0.029   5.557   0.169
  171    HA   ARG  22           HA       ARG  22  -2.405   6.570  -0.729
  172    HB2  ARG  22           HB2      ARG  22  -0.182   7.260  -1.578
  173    HB3  ARG  22           HB1      ARG  22  -0.039   5.719  -2.411
  174    HG2  ARG  22           HG2      ARG  22  -1.965   6.268  -3.789
  175    HG3  ARG  22           HG1      ARG  22  -2.144   7.804  -2.938
  176    HD2  ARG  22           HD2      ARG  22   0.191   8.374  -3.671
  177    HD3  ARG  22           HD1      ARG  22   0.161   6.929  -4.678
  178    HE   ARG  22           HE       ARG  22  -2.020   8.168  -5.535
  179   HH11  ARG  22          HH11      ARG  22   1.070  10.681  -6.085
  180   HH12  ARG  22          HH12      ARG  22   1.200   9.403  -4.918
  181   HH21  ARG  22          HH21      ARG  22  -2.186   9.862  -7.076
  182   HH22  ARG  22          HH22      ARG  22  -0.846  10.938  -7.306
  183    H    HIS  23           HN       HIS  23  -0.717   3.599  -1.712
  184    HA   HIS  23           HA       HIS  23  -2.627   2.578  -3.444
  185    HB2  HIS  23           HB2      HIS  23  -0.558   1.466  -3.417
  186    HB3  HIS  23           HB1      HIS  23  -0.568   1.293  -1.667
  187    HD1  HIS  23           HD1      HIS  23  -1.570  -0.476  -4.788
  188    HD2  HIS  23           HD2      HIS  23  -2.267  -0.757  -0.684
  189    HE1  HIS  23           HE1      HIS  23  -2.650  -2.754  -4.381
  190    H    LYS  24           HN       LYS  24  -2.301   2.117   0.056
  191    HA   LYS  24           HA       LYS  24  -4.414   0.289   0.305
  192    HB2  LYS  24           HB2      LYS  24  -2.580   0.604   1.956
  193    HB3  LYS  24           HB1      LYS  24  -3.319   2.126   2.434
  194    HG2  LYS  24           HG2      LYS  24  -5.216   1.039   3.320
  195    HG3  LYS  24           HG1      LYS  24  -4.774  -0.495   2.566
  196    HD2  LYS  24           HD2      LYS  24  -2.851  -0.699   4.011
  197    HD3  LYS  24           HD1      LYS  24  -3.160   0.895   4.699
  198    HE2  LYS  24           HE2      LYS  24  -5.064  -1.438   4.886
  199    HE3  LYS  24           HE1      LYS  24  -3.906  -0.999   6.141
  200    HZ1  LYS  24           HZ1      LYS  24  -4.993   1.170   6.303
  201    HZ2  LYS  24           HZ2      LYS  24  -6.069  -0.091   6.634
  202    HZ3  LYS  24           HZ3      LYS  24  -6.133   0.700   5.141
  203    H    ARG  25           HN       ARG  25  -4.437   3.707  -0.095
  204    HA   ARG  25           HA       ARG  25  -6.889   4.315   1.131
  205    HB2  ARG  25           HB2      ARG  25  -5.559   5.522  -1.289
  206    HB3  ARG  25           HB1      ARG  25  -7.030   6.171  -0.576
  207    HG2  ARG  25           HG2      ARG  25  -5.775   6.419   1.567
  208    HG3  ARG  25           HG1      ARG  25  -4.317   5.960   0.688
  209    HD2  ARG  25           HD2      ARG  25  -4.623   7.866  -0.821
  210    HD3  ARG  25           HD1      ARG  25  -6.081   8.329   0.057
  211    HE   ARG  25           HE       ARG  25  -3.661   8.142   1.641
  212   HH11  ARG  25          HH11      ARG  25  -5.253  11.671   0.568
  213   HH12  ARG  25          HH12      ARG  25  -5.800  10.217  -0.198
  214   HH21  ARG  25          HH21      ARG  25  -3.625  11.581   2.189
  215   HH22  ARG  25          HH22      ARG  25  -2.930  10.058   2.641
  216    H    THR  26           HN       THR  26  -6.224   2.450  -1.696
  217    HA   THR  26           HA       THR  26  -8.804   2.726  -2.890
  218    HB   THR  26           HB       THR  26  -8.225   0.696  -4.176
  219    HG1  THR  26           HG1      THR  26  -5.716   0.735  -2.828
  220   HG21  THR  26          HG21      THR  26  -7.477   2.887  -4.962
  221   HG22  THR  26          HG22      THR  26  -6.309   1.632  -5.371
  222   HG23  THR  26          HG23      THR  26  -5.994   2.723  -4.022
  223    H    HIS  27           HN       HIS  27  -7.407   0.677  -0.432
  224    HA   HIS  27           HA       HIS  27  -9.732  -1.043  -0.276
  225    HB2  HIS  27           HB2      HIS  27  -7.392  -0.808   1.626
  226    HB3  HIS  27           HB1      HIS  27  -8.571  -2.109   1.588
  227    HD1  HIS  27           HD1      HIS  27  -8.526  -3.187  -1.190
  228    HD2  HIS  27           HD2      HIS  27  -5.106  -1.715   0.686
  229    HE1  HIS  27           HE1      HIS  27  -6.529  -4.287  -2.336
  230    H    THR  28           HN       THR  28  -8.068   1.213   1.882
  231    HA   THR  28           HA       THR  28 -10.642   1.815   3.169
  232    HB   THR  28           HB       THR  28  -9.233   2.345   5.219
  233    HG1  THR  28           HG1      THR  28  -7.198   2.349   4.095
  234   HG21  THR  28          HG21      THR  28  -9.115   0.012   5.944
  235   HG22  THR  28          HG22      THR  28  -9.277  -0.524   4.272
  236   HG23  THR  28          HG23      THR  28 -10.610   0.320   5.061
  237    H    GLY  29           HN       GLY  29 -10.976   3.615   1.799
  238    HA2  GLY  29           HA2      GLY  29  -8.963   5.699   1.679
  239    HA3  GLY  29           HA1      GLY  29 -10.546   5.730   0.914
  240    H    GLU  30           HN       GLU  30 -11.764   4.921   3.503
  241    HA   GLU  30           HA       GLU  30 -12.164   7.580   4.533
  242    HB2  GLU  30           HB2      GLU  30 -13.289   4.968   5.545
  243    HB3  GLU  30           HB1      GLU  30 -13.891   6.579   5.897
  244    HG2  GLU  30           HG2      GLU  30 -14.484   6.871   3.545
  245    HG3  GLU  30           HG1      GLU  30 -13.892   5.247   3.201
  246    H    LYS  31           HN       LYS  31 -11.118   4.473   5.922
  247    HA   LYS  31           HA       LYS  31  -9.456   5.981   7.813
  248    HB2  LYS  31           HB2      LYS  31 -10.002   4.226   9.541
  249    HB3  LYS  31           HB1      LYS  31 -11.323   5.310   9.133
  250    HG2  LYS  31           HG2      LYS  31 -12.316   3.605   7.722
  251    HG3  LYS  31           HG1      LYS  31 -10.969   2.518   8.061
  252    HD2  LYS  31           HD2      LYS  31 -12.887   1.935   9.431
  253    HD3  LYS  31           HD1      LYS  31 -11.578   2.541  10.446
  254    HE2  LYS  31           HE2      LYS  31 -12.655   4.681  10.646
  255    HE3  LYS  31           HE1      LYS  31 -13.894   4.215   9.485
  256    HZ1  LYS  31           HZ1      LYS  31 -14.729   4.045  11.723
  257    HZ2  LYS  31           HZ2      LYS  31 -13.470   3.011  12.164
  258    HZ3  LYS  31           HZ3      LYS  31 -14.627   2.503  11.040
  259    HN1  NH2  32           HN1      NH2  32  -7.791   5.537   6.304
  260    HN2  NH2  32           HN2      NH2  32  -7.030   3.983   6.256
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1  13.803  -0.851   5.222
    2    H2   ARG   1           HT2      ARG   1  14.300  -2.322   4.555
    3    H3   ARG   1           HT3      ARG   1  14.435  -2.065   6.221
    4    HA   ARG   1           HA       ARG   1  12.573  -3.482   5.789
    5    HB2  ARG   1           HB2      ARG   1  11.816  -0.665   6.571
    6    HB3  ARG   1           HB1      ARG   1  10.748  -2.046   6.748
    7    HG2  ARG   1           HG2      ARG   1  12.335  -3.082   8.284
    8    HG3  ARG   1           HG1      ARG   1  13.411  -1.695   8.102
    9    HD2  ARG   1           HD2      ARG   1  11.745  -0.223   9.039
   10    HD3  ARG   1           HD1      ARG   1  10.571  -1.533   9.100
   11    HE   ARG   1           HE       ARG   1  12.830  -2.271  10.590
   12   HH11  ARG   1          HH11      ARG   1  10.210   0.047  10.674
   13   HH12  ARG   1          HH12      ARG   1  10.143   0.104  12.405
   14   HH21  ARG   1          HH21      ARG   1  11.577  -1.180  13.659
   15   HH22  ARG   1          HH22      ARG   1  12.738  -2.203  12.878
   16    HA   PRO   2           HA       PRO   2  10.622  -2.510   1.845
   17    HB2  PRO   2           HB2      PRO   2   9.623  -4.960   1.375
   18    HB3  PRO   2           HB1      PRO   2  11.348  -4.607   1.162
   19    HG2  PRO   2           HG2      PRO   2   9.955  -5.977   3.429
   20    HG3  PRO   2           HG1      PRO   2  11.501  -6.375   2.660
   21    HD2  PRO   2           HD2      PRO   2  11.249  -4.983   5.031
   22    HD3  PRO   2           HD1      PRO   2  12.660  -4.886   3.956
   23    H    PHE   3           HN       PHE   3   8.454  -2.205   1.230
   24    HA   PHE   3           HA       PHE   3   6.508  -2.493   3.413
   25    HB2  PHE   3           HB2      PHE   3   6.574  -0.606   1.054
   26    HB3  PHE   3           HB1      PHE   3   5.211  -0.749   2.158
   27    HD1  PHE   3           HD1      PHE   3   8.584   0.530   1.693
   28    HD2  PHE   3           HD2      PHE   3   5.405  -0.015   4.466
   29    HE1  PHE   3           HE1      PHE   3   9.633   2.159   3.207
   30    HE2  PHE   3           HE2      PHE   3   6.446   1.613   5.986
   31    HZ   PHE   3           HZ       PHE   3   8.565   2.702   5.360
   32    H    NLE   4           HN       NLE   4   4.454  -3.362   2.973
   33    HA   NLE   4           HA       NLE   4   3.951  -4.433   0.323
   34    HB2  NLE   4           HB1      NLE   4   4.194  -6.197   2.759
   35    HB3  NLE   4           HB2      NLE   4   5.300  -6.173   1.397
   36    HG2  NLE   4           HG1      NLE   4   3.531  -6.982  -0.072
   37    HG3  NLE   4           HG2      NLE   4   2.401  -6.983   1.284
   38    HD2  NLE   4           HD1      NLE   4   3.823  -8.624   2.446
   39    HD3  NLE   4           HD2      NLE   4   4.907  -8.652   1.046
   40    HE1  NLE   4           HE1      NLE   4   3.345 -10.524   0.978
   41    HE2  NLE   4           HE2      NLE   4   3.053  -9.413  -0.360
   42    HE3  NLE   4           HE3      NLE   4   1.987  -9.401   1.045
   43    H    CYS   5           HN       CYS   5   1.828  -4.540  -0.139
   44    HA   CYS   5           HA       CYS   5  -0.094  -3.701   1.817
   45    HB2  CYS   5           HB2      CYS   5  -0.507  -2.980  -0.409
   46    HB3  CYS   5           HB1      CYS   5  -0.341  -4.614  -1.046
   47    H    THR   6           HN       THR   6  -1.133  -4.960   3.197
   48    HA   THR   6           HA       THR   6  -0.887  -7.857   2.844
   49    HB   THR   6           HB       THR   6  -1.424  -7.940   5.304
   50    HG1  THR   6           HG1      THR   6  -2.347  -5.715   5.262
   51   HG21  THR   6          HG21      THR   6   0.874  -8.094   4.487
   52   HG22  THR   6          HG22      THR   6   0.811  -7.195   6.002
   53   HG23  THR   6          HG23      THR   6   0.998  -6.335   4.474
   54    H    TRP   7           HN       TRP   7  -2.992  -5.982   1.695
   55    HA   TRP   7           HA       TRP   7  -5.414  -6.939   2.980
   56    HB2  TRP   7           HB2      TRP   7  -5.218  -4.595   2.108
   57    HB3  TRP   7           HB1      TRP   7  -5.122  -5.257   0.480
   58    HD1  TRP   7           HD1      TRP   7  -7.592  -4.371   3.192
   59    HE1  TRP   7           HE1      TRP   7  -9.989  -4.753   2.337
   60    HE3  TRP   7           HE3      TRP   7  -6.520  -6.863  -1.141
   61    HZ2  TRP   7           HZ2      TRP   7 -11.252  -5.958   0.124
   62    HZ3  TRP   7           HZ3      TRP   7  -8.384  -7.597  -2.567
   63    HH2  TRP   7           HH2      TRP   7 -10.694  -7.153  -1.946
   64    HA   DPR   8           HA       DPR   8  -7.186  -9.647  -0.126
   65    HB2  DPR   8           HB2      DPR   8  -7.922 -11.453   1.088
   66    HB3  DPR   8           HB1      DPR   8  -6.400 -11.607   1.978
   67    HG2  DPR   8           HG2      DPR   8  -8.642  -9.663   2.380
   68    HG3  DPR   8           HG1      DPR   8  -7.726 -10.578   3.594
   69    HD2  DPR   8           HD2      DPR   8  -7.221  -7.967   3.004
   70    HD3  DPR   8           HD1      DPR   8  -5.967  -9.095   3.561
   71    H    GLY   9           HN       GLY   9  -6.304 -10.696  -1.802
   72    HA2  GLY   9           HA2      GLY   9  -3.670 -11.953  -1.509
   73    HA3  GLY   9           HA1      GLY   9  -4.765 -12.156  -2.874
   74    H    CYS  10           HN       CYS  10  -4.398  -8.989  -1.705
   75    HA   CYS  10           HA       CYS  10  -3.071  -8.161  -4.143
   76    HB2  CYS  10           HB2      CYS  10  -5.032  -6.936  -3.301
   77    HB3  CYS  10           HB1      CYS  10  -4.173  -6.579  -1.808
   78    H    GLY  11           HN       GLY  11  -1.017  -9.219  -3.606
   79    HA2  GLY  11           HA2      GLY  11   0.381  -8.213  -1.247
   80    HA3  GLY  11           HA1      GLY  11   0.864  -9.580  -2.236
   81    H    LYS  12           HN       LYS  12   0.154  -6.195  -3.082
   82    HA   LYS  12           HA       LYS  12   2.520  -6.044  -4.701
   83    HB2  LYS  12           HB2      LYS  12   0.512  -4.793  -5.344
   84    HB3  LYS  12           HB1      LYS  12   0.589  -3.871  -3.848
   85    HG2  LYS  12           HG2      LYS  12   2.664  -2.852  -4.527
   86    HG3  LYS  12           HG1      LYS  12   2.716  -3.850  -5.980
   87    HD2  LYS  12           HD2      LYS  12   0.494  -1.910  -5.377
   88    HD3  LYS  12           HD1      LYS  12   1.928  -1.479  -6.306
   89    HE2  LYS  12           HE2      LYS  12   1.364  -3.356  -7.868
   90    HE3  LYS  12           HE1      LYS  12  -0.158  -3.537  -6.995
   91    HZ1  LYS  12           HZ1      LYS  12  -0.452  -2.166  -8.944
   92    HZ2  LYS  12           HZ2      LYS  12   0.752  -1.102  -8.427
   93    HZ3  LYS  12           HZ3      LYS  12  -0.690  -1.232  -7.554
   94    H    ARG  13           HN       ARG  13   4.452  -5.148  -4.222
   95    HA   ARG  13           HA       ARG  13   4.845  -4.306  -1.438
   96    HB2  ARG  13           HB2      ARG  13   6.729  -5.553  -3.431
   97    HB3  ARG  13           HB1      ARG  13   7.271  -4.855  -1.911
   98    HG2  ARG  13           HG2      ARG  13   6.162  -6.466  -0.638
   99    HG3  ARG  13           HG1      ARG  13   5.149  -6.963  -1.996
  100    HD2  ARG  13           HD2      ARG  13   8.139  -7.324  -1.893
  101    HD3  ARG  13           HD1      ARG  13   6.976  -8.569  -1.434
  102    HE   ARG  13           HE       ARG  13   6.379  -7.614  -4.018
  103   HH11  ARG  13          HH11      ARG  13   9.117 -10.534  -3.708
  104   HH12  ARG  13          HH12      ARG  13   8.771  -9.530  -2.338
  105   HH21  ARG  13          HH21      ARG  13   6.819  -8.934  -5.828
  106   HH22  ARG  13          HH22      ARG  13   7.996 -10.201  -5.697
  107    H    PHE  14           HN       PHE  14   6.208  -2.561  -0.968
  108    HA   PHE  14           HA       PHE  14   6.572  -0.635  -3.160
  109    HB2  PHE  14           HB2      PHE  14   5.368  -0.032  -0.455
  110    HB3  PHE  14           HB1      PHE  14   5.668   1.135  -1.738
  111    HD1  PHE  14           HD1      PHE  14   3.494  -1.481  -0.511
  112    HD2  PHE  14           HD2      PHE  14   4.317   1.113  -3.774
  113    HE1  PHE  14           HE1      PHE  14   1.254  -1.927  -1.423
  114    HE2  PHE  14           HE2      PHE  14   2.075   0.678  -4.690
  115    HZ   PHE  14           HZ       PHE  14   0.551  -0.856  -3.525
  116    H    THR  15           HN       THR  15   7.934   1.241  -2.444
  117    HA   THR  15           HA       THR  15  10.133   0.236  -0.767
  118    HB   THR  15           HB       THR  15  10.225   2.480  -2.797
  119    HG1  THR  15           HG1      THR  15  10.114  -0.201  -3.169
  120   HG21  THR  15          HG21      THR  15  12.646   2.139  -2.697
  121   HG22  THR  15          HG22      THR  15  12.427   0.858  -1.506
  122   HG23  THR  15          HG23      THR  15  12.008   2.521  -1.097
  123    H    ARG  16           HN       ARG  16   7.797   2.779  -1.173
  124    HA   ARG  16           HA       ARG  16   8.846   4.080   1.258
  125    HB2  ARG  16           HB2      ARG  16   7.281   5.365  -0.991
  126    HB3  ARG  16           HB1      ARG  16   7.919   6.188   0.423
  127    HG2  ARG  16           HG2      ARG  16  10.179   5.766  -0.310
  128    HG3  ARG  16           HG1      ARG  16   9.584   4.825  -1.679
  129    HD2  ARG  16           HD2      ARG  16  10.188   7.046  -2.419
  130    HD3  ARG  16           HD1      ARG  16   8.442   6.838  -2.525
  131    HE   ARG  16           HE       ARG  16   9.371   8.054  -0.079
  132   HH11  ARG  16          HH11      ARG  16   8.254   8.615  -3.352
  133   HH12  ARG  16          HH12      ARG  16   7.790  10.257  -3.046
  134   HH21  ARG  16          HH21      ARG  16   8.764  10.228   0.317
  135   HH22  ARG  16          HH22      ARG  16   8.082  11.171  -0.968
  136    H    SER  17           HN       SER  17   7.351   4.707   2.823
  137    HA   SER  17           HA       SER  17   5.057   3.084   3.087
  138    HB2  SER  17           HB2      SER  17   4.601   4.515   5.094
  139    HB3  SER  17           HB1      SER  17   6.238   3.859   5.051
  140    HG   SER  17           HG       SER  17   5.654   6.325   5.387
  141    H    ASP  18           HN       ASP  18   5.570   6.378   1.993
  142    HA   ASP  18           HA       ASP  18   2.926   7.272   1.919
  143    HB2  ASP  18           HB2      ASP  18   5.262   7.946   0.125
  144    HB3  ASP  18           HB1      ASP  18   3.704   8.757   0.023
  145    H    GLU  19           HN       GLU  19   4.712   5.301  -0.388
  146    HA   GLU  19           HA       GLU  19   2.802   5.228  -2.440
  147    HB2  GLU  19           HB2      GLU  19   4.782   3.123  -1.569
  148    HB3  GLU  19           HB1      GLU  19   3.849   3.050  -3.046
  149    HG2  GLU  19           HG2      GLU  19   4.978   5.024  -3.885
  150    HG3  GLU  19           HG1      GLU  19   5.878   5.165  -2.373
  151    H    LEU  20           HN       LEU  20   3.393   3.063   0.287
  152    HA   LEU  20           HA       LEU  20   1.247   1.316  -0.238
  153    HB2  LEU  20           HB2      LEU  20   3.103   0.603   1.103
  154    HB3  LEU  20           HB1      LEU  20   2.806   1.870   2.278
  155    HG   LEU  20           HG       LEU  20   0.701   0.779   2.927
  156   HD11  LEU  20          HD11      LEU  20   0.196  -1.475   2.121
  157   HD12  LEU  20          HD12      LEU  20   1.536  -1.365   0.979
  158   HD13  LEU  20          HD13      LEU  20   0.145  -0.292   0.815
  159   HD21  LEU  20          HD21      LEU  20   2.800   0.255   4.091
  160   HD22  LEU  20          HD22      LEU  20   3.063  -1.089   2.981
  161   HD23  LEU  20          HD23      LEU  20   1.685  -1.110   4.080
  162    H    GLN  21           HN       GLN  21   1.500   4.225   1.751
  163    HA   GLN  21           HA       GLN  21  -0.985   4.007   3.046
  164    HB2  GLN  21           HB2      GLN  21   0.676   6.417   2.310
  165    HB3  GLN  21           HB1      GLN  21  -0.814   6.534   3.234
  166    HG2  GLN  21           HG2      GLN  21   0.154   5.109   4.969
  167    HG3  GLN  21           HG1      GLN  21   1.650   5.004   4.041
  168   HE21  GLN  21          HE21      GLN  21   1.169   6.054   6.714
  169   HE22  GLN  21          HE22      GLN  21   1.716   7.692   6.695
  170    H    ARG  22           HN       ARG  22  -0.094   5.801   0.106
  171    HA   ARG  22           HA       ARG  22  -2.679   6.681  -0.529
  172    HB2  ARG  22           HB2      ARG  22  -0.621   7.569  -1.583
  173    HB3  ARG  22           HB1      ARG  22  -0.414   6.043  -2.431
  174    HG2  ARG  22           HG2      ARG  22  -2.587   6.424  -3.555
  175    HG3  ARG  22           HG1      ARG  22  -2.670   8.006  -2.779
  176    HD2  ARG  22           HD2      ARG  22  -0.544   8.621  -3.874
  177    HD3  ARG  22           HD1      ARG  22  -0.534   7.056  -4.681
  178    HE   ARG  22           HE       ARG  22  -2.811   8.854  -5.096
  179   HH11  ARG  22          HH11      ARG  22  -0.367   7.563  -8.014
  180   HH12  ARG  22          HH12      ARG  22  -0.000   7.191  -6.362
  181   HH21  ARG  22          HH21      ARG  22  -3.295   9.349  -7.270
  182   HH22  ARG  22          HH22      ARG  22  -2.239   8.792  -8.531
  183    H    HIS  23           HN       HIS  23  -0.872   3.816  -1.570
  184    HA   HIS  23           HA       HIS  23  -2.775   2.695  -3.250
  185    HB2  HIS  23           HB2      HIS  23  -0.570   1.777  -3.231
  186    HB3  HIS  23           HB1      HIS  23  -0.665   1.417  -1.511
  187    HD1  HIS  23           HD1      HIS  23  -1.391  -0.052  -4.845
  188    HD2  HIS  23           HD2      HIS  23  -2.369  -0.771  -0.852
  189    HE1  HIS  23           HE1      HIS  23  -2.438  -2.373  -4.757
  190    H    LYS  24           HN       LYS  24  -2.325   2.231   0.244
  191    HA   LYS  24           HA       LYS  24  -4.244   0.240   0.605
  192    HB2  LYS  24           HB2      LYS  24  -2.486   0.952   2.245
  193    HB3  LYS  24           HB1      LYS  24  -3.473   2.356   2.616
  194    HG2  LYS  24           HG2      LYS  24  -3.844   0.714   4.301
  195    HG3  LYS  24           HG1      LYS  24  -5.300   0.816   3.309
  196    HD2  LYS  24           HD2      LYS  24  -4.834  -1.502   3.727
  197    HD3  LYS  24           HD1      LYS  24  -4.483  -1.168   2.031
  198    HE2  LYS  24           HE2      LYS  24  -2.743  -2.562   2.998
  199    HE3  LYS  24           HE1      LYS  24  -2.096  -0.981   2.569
  200    HZ1  LYS  24           HZ1      LYS  24  -2.244  -0.319   4.879
  201    HZ2  LYS  24           HZ2      LYS  24  -1.320  -1.724   4.737
  202    HZ3  LYS  24           HZ3      LYS  24  -2.910  -1.816   5.301
  203    H    ARG  25           HN       ARG  25  -4.601   3.663   0.223
  204    HA   ARG  25           HA       ARG  25  -7.161   3.949   1.368
  205    HB2  ARG  25           HB2      ARG  25  -5.761   5.550  -0.760
  206    HB3  ARG  25           HB1      ARG  25  -7.293   6.017  -0.035
  207    HG2  ARG  25           HG2      ARG  25  -6.121   5.959   2.188
  208    HG3  ARG  25           HG1      ARG  25  -4.613   5.790   1.284
  209    HD2  ARG  25           HD2      ARG  25  -5.025   8.134   1.852
  210    HD3  ARG  25           HD1      ARG  25  -5.080   7.885   0.106
  211    HE   ARG  25           HE       ARG  25  -7.613   7.820   1.551
  212   HH11  ARG  25          HH11      ARG  25  -6.634  10.726  -1.043
  213   HH12  ARG  25          HH12      ARG  25  -5.413   9.619  -0.500
  214   HH21  ARG  25          HH21      ARG  25  -8.786  10.538  -0.279
  215   HH22  ARG  25          HH22      ARG  25  -9.211   9.278   0.839
  216    H    THR  26           HN       THR  26  -6.168   2.491  -1.581
  217    HA   THR  26           HA       THR  26  -8.634   2.869  -2.975
  218    HB   THR  26           HB       THR  26  -7.870   1.106  -4.499
  219    HG1  THR  26           HG1      THR  26  -5.531   0.866  -2.892
  220   HG21  THR  26          HG21      THR  26  -5.836   2.192  -5.310
  221   HG22  THR  26          HG22      THR  26  -5.666   3.035  -3.771
  222   HG23  THR  26          HG23      THR  26  -7.039   3.384  -4.820
  223    H    HIS  27           HN       HIS  27  -7.438   0.645  -0.601
  224    HA   HIS  27           HA       HIS  27  -9.710  -1.146  -0.894
  225    HB2  HIS  27           HB2      HIS  27  -7.507  -1.149   1.178
  226    HB3  HIS  27           HB1      HIS  27  -8.692  -2.423   0.927
  227    HD1  HIS  27           HD1      HIS  27  -8.501  -3.286  -1.870
  228    HD2  HIS  27           HD2      HIS  27  -5.167  -1.867   0.194
  229    HE1  HIS  27           HE1      HIS  27  -6.448  -4.244  -3.046
  230    H    THR  28           HN       THR  28  -8.262   0.720   1.780
  231    HA   THR  28           HA       THR  28  -9.140   1.453   3.758
  232    HB   THR  28           HB       THR  28 -11.595   2.124   2.120
  233    HG1  THR  28           HG1      THR  28 -10.013   3.047   0.936
  234   HG21  THR  28          HG21      THR  28 -11.745   4.041   3.629
  235   HG22  THR  28          HG22      THR  28 -10.285   3.511   4.465
  236   HG23  THR  28          HG23      THR  28 -11.751   2.533   4.545
  237    H    GLY  29           HN       GLY  29  -9.294  -1.200   3.677
  238    HA2  GLY  29           HA2      GLY  29 -12.027  -2.065   4.209
  239    HA3  GLY  29           HA1      GLY  29 -10.611  -3.099   4.096
  240    H    GLU  30           HN       GLU  30  -9.243  -1.074   5.909
  241    HA   GLU  30           HA       GLU  30  -9.825  -2.439   8.359
  242    HB2  GLU  30           HB2      GLU  30  -7.543  -1.609   7.642
  243    HB3  GLU  30           HB1      GLU  30  -8.105   0.015   8.006
  244    HG2  GLU  30           HG2      GLU  30  -6.811  -0.816   9.842
  245    HG3  GLU  30           HG1      GLU  30  -8.496  -0.669  10.336
  246    H    LYS  31           HN       LYS  31 -10.777   0.529   6.866
  247    HA   LYS  31           HA       LYS  31 -12.615   1.043   9.066
  248    HB2  LYS  31           HB2      LYS  31 -10.574   2.411   9.493
  249    HB3  LYS  31           HB1      LYS  31 -10.815   3.193   7.938
  250    HG2  LYS  31           HG2      LYS  31 -12.974   4.056   8.715
  251    HG3  LYS  31           HG1      LYS  31 -12.707   3.289  10.281
  252    HD2  LYS  31           HD2      LYS  31 -12.122   5.623  10.433
  253    HD3  LYS  31           HD1      LYS  31 -10.655   4.651  10.550
  254    HE2  LYS  31           HE2      LYS  31 -10.188   5.086   8.184
  255    HE3  LYS  31           HE1      LYS  31 -11.653   6.058   8.074
  256    HZ1  LYS  31           HZ1      LYS  31 -10.699   7.546   9.759
  257    HZ2  LYS  31           HZ2      LYS  31  -9.757   7.477   8.357
  258    HZ3  LYS  31           HZ3      LYS  31  -9.268   6.643   9.742
  259    HN1  NH2  32           HN1      NH2  32 -13.865   0.076   7.265
  260    HN2  NH2  32           HN2      NH2  32 -14.494   1.126   6.044
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1  13.458  -0.081   2.687
    2    H2   ARG   1           HT2      ARG   1  14.111  -1.641   2.629
    3    H3   ARG   1           HT3      ARG   1  14.368  -0.666   3.987
    4    HA   ARG   1           HA       ARG   1  12.714  -2.355   4.420
    5    HB2  ARG   1           HB2      ARG   1  12.556  -0.234   5.619
    6    HB3  ARG   1           HB1      ARG   1  11.640   0.472   4.296
    7    HG2  ARG   1           HG2      ARG   1  10.132  -0.090   6.061
    8    HG3  ARG   1           HG1      ARG   1   9.852  -1.195   4.714
    9    HD2  ARG   1           HD2      ARG   1  11.335  -2.847   5.884
   10    HD3  ARG   1           HD1      ARG   1  11.351  -1.759   7.269
   11    HE   ARG   1           HE       ARG   1   8.692  -2.184   6.647
   12   HH11  ARG   1          HH11      ARG   1  11.422  -4.109   7.688
   13   HH12  ARG   1          HH12      ARG   1  10.442  -5.291   8.489
   14   HH21  ARG   1          HH21      ARG   1   8.145  -5.081   8.485
   15   HH22  ARG   1          HH22      ARG   1   7.401  -3.729   7.689
   16    HA   PRO   2           HA       PRO   2  10.157  -3.042   0.798
   17    HB2  PRO   2           HB2      PRO   2   9.597  -5.624   1.282
   18    HB3  PRO   2           HB1      PRO   2  11.173  -5.110   0.661
   19    HG2  PRO   2           HG2      PRO   2  10.394  -5.942   3.410
   20    HG3  PRO   2           HG1      PRO   2  11.923  -6.189   2.549
   21    HD2  PRO   2           HD2      PRO   2  11.410  -4.209   4.465
   22    HD3  PRO   2           HD1      PRO   2  12.781  -4.240   3.338
   23    H    PHE   3           HN       PHE   3   8.527  -1.624   1.579
   24    HA   PHE   3           HA       PHE   3   6.591  -2.401   3.515
   25    HB2  PHE   3           HB2      PHE   3   6.425  -0.390   1.259
   26    HB3  PHE   3           HB1      PHE   3   5.225  -0.568   2.531
   27    HD1  PHE   3           HD1      PHE   3   8.342   0.925   1.581
   28    HD2  PHE   3           HD2      PHE   3   5.908  -0.138   4.903
   29    HE1  PHE   3           HE1      PHE   3   9.605   2.485   2.997
   30    HE2  PHE   3           HE2      PHE   3   7.167   1.426   6.329
   31    HZ   PHE   3           HZ       PHE   3   9.019   2.739   5.376
   32    H    NLE   4           HN       NLE   4   4.603  -3.448   3.211
   33    HA   NLE   4           HA       NLE   4   4.020  -4.370   0.505
   34    HB2  NLE   4           HB1      NLE   4   4.476  -6.216   2.845
   35    HB3  NLE   4           HB2      NLE   4   5.492  -6.078   1.421
   36    HG2  NLE   4           HG1      NLE   4   3.661  -6.913   0.030
   37    HG3  NLE   4           HG2      NLE   4   2.639  -7.048   1.460
   38    HD2  NLE   4           HD1      NLE   4   4.214  -8.671   2.426
   39    HD3  NLE   4           HD2      NLE   4   5.209  -8.554   0.967
   40    HE1  NLE   4           HE1      NLE   4   2.340  -9.477   1.085
   41    HE2  NLE   4           HE2      NLE   4   3.754 -10.511   0.874
   42    HE3  NLE   4           HE3      NLE   4   3.318  -9.345  -0.375
   43    H    CYS   5           HN       CYS   5   1.942  -4.210   0.098
   44    HA   CYS   5           HA       CYS   5  -0.010  -4.076   2.218
   45    HB2  CYS   5           HB2      CYS   5  -0.416  -2.710   0.269
   46    HB3  CYS   5           HB1      CYS   5  -0.278  -4.107  -0.792
   47    H    THR   6           HN       THR   6  -0.838  -5.820   3.128
   48    HA   THR   6           HA       THR   6  -0.783  -8.343   1.612
   49    HB   THR   6           HB       THR   6   0.809  -8.355   3.482
   50    HG1  THR   6           HG1      THR   6  -1.364 -10.073   3.340
   51   HG21  THR   6          HG21      THR   6   0.005  -8.264   5.805
   52   HG22  THR   6          HG22      THR   6  -1.609  -7.865   5.219
   53   HG23  THR   6          HG23      THR   6  -0.273  -6.748   4.947
   54    H    TRP   7           HN       TRP   7  -2.802  -6.154   1.952
   55    HA   TRP   7           HA       TRP   7  -4.938  -7.107   3.547
   56    HB2  TRP   7           HB2      TRP   7  -4.664  -4.742   2.832
   57    HB3  TRP   7           HB1      TRP   7  -5.014  -5.220   1.175
   58    HD1  TRP   7           HD1      TRP   7  -6.688  -4.371   4.448
   59    HE1  TRP   7           HE1      TRP   7  -9.237  -4.366   4.130
   60    HE3  TRP   7           HE3      TRP   7  -6.930  -6.458  -0.218
   61    HZ2  TRP   7           HZ2      TRP   7 -11.105  -5.149   2.168
   62    HZ3  TRP   7           HZ3      TRP   7  -9.143  -6.802  -1.232
   63    HH2  TRP   7           HH2      TRP   7 -11.178  -6.162  -0.069
   64    HA   DPR   8           HA       DPR   8  -7.758  -9.238   0.742
   65    HB2  DPR   8           HB2      DPR   8  -8.684 -10.858   2.071
   66    HB3  DPR   8           HB1      DPR   8  -7.114 -11.419   2.658
   67    HG2  DPR   8           HG2      DPR   8  -8.723  -9.049   3.525
   68    HG3  DPR   8           HG1      DPR   8  -7.846 -10.229   4.520
   69    HD2  DPR   8           HD2      DPR   8  -6.846  -7.780   3.952
   70    HD3  DPR   8           HD1      DPR   8  -5.809  -9.207   4.152
   71    H    GLY   9           HN       GLY   9  -7.106 -10.054  -1.146
   72    HA2  GLY   9           HA2      GLY   9  -4.966 -12.079  -1.159
   73    HA3  GLY   9           HA1      GLY   9  -6.179 -11.867  -2.419
   74    H    CYS  10           HN       CYS  10  -4.780  -9.051  -1.094
   75    HA   CYS  10           HA       CYS  10  -3.394  -8.522  -3.608
   76    HB2  CYS  10           HB2      CYS  10  -5.011  -6.874  -2.752
   77    HB3  CYS  10           HB1      CYS  10  -4.085  -6.728  -1.268
   78    H    GLY  11           HN       GLY  11  -1.197  -8.347  -3.743
   79    HA2  GLY  11           HA2      GLY  11   0.349  -8.354  -1.234
   80    HA3  GLY  11           HA1      GLY  11   0.715  -9.506  -2.514
   81    H    LYS  12           HN       LYS  12  -0.077  -6.052  -2.565
   82    HA   LYS  12           HA       LYS  12   1.919  -5.572  -4.585
   83    HB2  LYS  12           HB2      LYS  12  -0.440  -4.459  -4.221
   84    HB3  LYS  12           HB1      LYS  12   0.458  -3.386  -3.158
   85    HG2  LYS  12           HG2      LYS  12   0.339  -2.329  -5.268
   86    HG3  LYS  12           HG1      LYS  12   1.993  -2.920  -5.087
   87    HD2  LYS  12           HD2      LYS  12   1.510  -4.825  -6.489
   88    HD3  LYS  12           HD1      LYS  12  -0.194  -4.375  -6.569
   89    HE2  LYS  12           HE2      LYS  12   0.956  -3.745  -8.612
   90    HE3  LYS  12           HE1      LYS  12   0.406  -2.315  -7.743
   91    HZ1  LYS  12           HZ1      LYS  12   2.668  -2.089  -8.616
   92    HZ2  LYS  12           HZ2      LYS  12   3.172  -3.386  -7.660
   93    HZ3  LYS  12           HZ3      LYS  12   2.627  -1.962  -6.932
   94    H    ARG  13           HN       ARG  13   3.951  -4.864  -4.260
   95    HA   ARG  13           HA       ARG  13   4.702  -4.177  -1.505
   96    HB2  ARG  13           HB2      ARG  13   6.246  -5.471  -3.736
   97    HB3  ARG  13           HB1      ARG  13   7.040  -4.808  -2.314
   98    HG2  ARG  13           HG2      ARG  13   5.864  -6.320  -0.875
   99    HG3  ARG  13           HG1      ARG  13   4.883  -6.898  -2.224
  100    HD2  ARG  13           HD2      ARG  13   6.751  -7.941  -3.247
  101    HD3  ARG  13           HD1      ARG  13   7.881  -7.139  -2.159
  102    HE   ARG  13           HE       ARG  13   6.931  -8.517  -0.356
  103   HH11  ARG  13          HH11      ARG  13   6.280 -11.235  -3.240
  104   HH12  ARG  13          HH12      ARG  13   6.428  -9.562  -3.661
  105   HH21  ARG  13          HH21      ARG  13   6.726 -10.706   0.199
  106   HH22  ARG  13          HH22      ARG  13   6.440 -11.891  -1.038
  107    H    PHE  14           HN       PHE  14   6.062  -2.480  -1.065
  108    HA   PHE  14           HA       PHE  14   6.556  -0.541  -3.215
  109    HB2  PHE  14           HB2      PHE  14   5.327   0.124  -0.533
  110    HB3  PHE  14           HB1      PHE  14   5.685   1.266  -1.827
  111    HD1  PHE  14           HD1      PHE  14   3.419  -1.295  -0.620
  112    HD2  PHE  14           HD2      PHE  14   4.340   1.314  -3.844
  113    HE1  PHE  14           HE1      PHE  14   1.158  -1.631  -1.530
  114    HE2  PHE  14           HE2      PHE  14   2.086   0.984  -4.767
  115    HZ   PHE  14           HZ       PHE  14   0.533  -0.593  -3.668
  116    H    THR  15           HN       THR  15   8.101   1.139  -2.541
  117    HA   THR  15           HA       THR  15  10.033   0.110  -0.585
  118    HB   THR  15           HB       THR  15  10.520   2.214  -2.704
  119    HG1  THR  15           HG1      THR  15  11.011  -0.600  -2.832
  120   HG21  THR  15          HG21      THR  15  12.154   2.149  -0.866
  121   HG22  THR  15          HG22      THR  15  12.875   1.613  -2.383
  122   HG23  THR  15          HG23      THR  15  12.413   0.430  -1.161
  123    H    ARG  16           HN       ARG  16   7.774   2.592  -1.208
  124    HA   ARG  16           HA       ARG  16   8.811   4.148   1.066
  125    HB2  ARG  16           HB2      ARG  16   7.220   5.174  -1.295
  126    HB3  ARG  16           HB1      ARG  16   7.821   6.144   0.043
  127    HG2  ARG  16           HG2      ARG  16  10.116   5.625  -0.624
  128    HG3  ARG  16           HG1      ARG  16   9.500   4.669  -1.973
  129    HD2  ARG  16           HD2      ARG  16   8.364   6.696  -2.821
  130    HD3  ARG  16           HD1      ARG  16   9.117   7.623  -1.526
  131    HE   ARG  16           HE       ARG  16  11.068   6.220  -3.038
  132   HH11  ARG  16          HH11      ARG  16   8.986   9.026  -3.101
  133   HH12  ARG  16          HH12      ARG  16   9.985   9.908  -4.212
  134   HH21  ARG  16          HH21      ARG  16  12.396   7.372  -4.505
  135   HH22  ARG  16          HH22      ARG  16  11.928   8.964  -5.013
  136    H    SER  17           HN       SER  17   7.383   4.740   2.642
  137    HA   SER  17           HA       SER  17   5.156   3.032   3.009
  138    HB2  SER  17           HB2      SER  17   6.570   3.824   4.870
  139    HB3  SER  17           HB1      SER  17   5.981   5.467   4.607
  140    HG   SER  17           HG       SER  17   4.585   3.204   5.564
  141    H    ASP  18           HN       ASP  18   5.461   6.393   1.974
  142    HA   ASP  18           HA       ASP  18   2.699   7.005   2.305
  143    HB2  ASP  18           HB2      ASP  18   3.100   9.026   1.085
  144    HB3  ASP  18           HB1      ASP  18   4.479   8.747   2.131
  145    H    GLU  19           HN       GLU  19   4.548   5.503  -0.221
  146    HA   GLU  19           HA       GLU  19   2.551   5.547  -2.221
  147    HB2  GLU  19           HB2      GLU  19   4.911   3.731  -1.741
  148    HB3  GLU  19           HB1      GLU  19   3.843   3.561  -3.123
  149    HG2  GLU  19           HG2      GLU  19   5.282   6.117  -2.502
  150    HG3  GLU  19           HG1      GLU  19   5.982   4.841  -3.498
  151    H    LEU  20           HN       LEU  20   3.462   3.199   0.267
  152    HA   LEU  20           HA       LEU  20   1.464   1.302  -0.257
  153    HB2  LEU  20           HB2      LEU  20   3.282   0.715   1.173
  154    HB3  LEU  20           HB1      LEU  20   2.915   2.024   2.279
  155    HG   LEU  20           HG       LEU  20   0.831   0.887   2.934
  156   HD11  LEU  20          HD11      LEU  20   0.469  -1.446   2.248
  157   HD12  LEU  20          HD12      LEU  20   1.803  -1.297   1.105
  158   HD13  LEU  20          HD13      LEU  20   0.352  -0.316   0.898
  159   HD21  LEU  20          HD21      LEU  20   1.830  -0.834   4.264
  160   HD22  LEU  20          HD22      LEU  20   2.977   0.501   4.142
  161   HD23  LEU  20          HD23      LEU  20   3.205  -0.953   3.169
  162    H    GLN  21           HN       GLN  21   1.474   4.150   1.858
  163    HA   GLN  21           HA       GLN  21  -1.076   3.797   2.963
  164    HB2  GLN  21           HB2      GLN  21   0.572   6.271   2.468
  165    HB3  GLN  21           HB1      GLN  21  -0.994   6.329   3.265
  166    HG2  GLN  21           HG2      GLN  21  -0.186   4.903   5.040
  167    HG3  GLN  21           HG1      GLN  21   1.363   4.719   4.222
  168   HE21  GLN  21          HE21      GLN  21   2.838   6.390   4.269
  169   HE22  GLN  21          HE22      GLN  21   2.676   7.754   5.321
  170    H    ARG  22           HN       ARG  22  -0.082   5.747   0.146
  171    HA   ARG  22           HA       ARG  22  -2.589   6.586  -0.697
  172    HB2  ARG  22           HB2      ARG  22  -0.698   7.505  -1.781
  173    HB3  ARG  22           HB1      ARG  22  -0.074   5.920  -2.216
  174    HG2  ARG  22           HG2      ARG  22  -0.937   7.030  -4.166
  175    HG3  ARG  22           HG1      ARG  22  -1.931   5.629  -3.783
  176    HD2  ARG  22           HD2      ARG  22  -3.557   7.148  -2.667
  177    HD3  ARG  22           HD1      ARG  22  -2.586   8.520  -3.206
  178    HE   ARG  22           HE       ARG  22  -3.046   7.243  -5.515
  179   HH11  ARG  22          HH11      ARG  22  -6.589   8.340  -3.967
  180   HH12  ARG  22          HH12      ARG  22  -5.209   8.181  -2.928
  181   HH21  ARG  22          HH21      ARG  22  -4.859   7.450  -6.887
  182   HH22  ARG  22          HH22      ARG  22  -6.391   7.915  -6.215
  183    H    HIS  23           HN       HIS  23  -0.831   3.646  -1.646
  184    HA   HIS  23           HA       HIS  23  -2.780   2.566  -3.308
  185    HB2  HIS  23           HB2      HIS  23  -0.616   1.622  -3.395
  186    HB3  HIS  23           HB1      HIS  23  -0.592   1.317  -1.664
  187    HD1  HIS  23           HD1      HIS  23  -1.539  -0.267  -4.899
  188    HD2  HIS  23           HD2      HIS  23  -2.176  -0.865  -0.818
  189    HE1  HIS  23           HE1      HIS  23  -2.533  -2.608  -4.646
  190    H    LYS  24           HN       LYS  24  -2.281   2.079   0.177
  191    HA   LYS  24           HA       LYS  24  -4.227   0.103   0.521
  192    HB2  LYS  24           HB2      LYS  24  -2.429   0.683   2.145
  193    HB3  LYS  24           HB1      LYS  24  -3.308   2.150   2.545
  194    HG2  LYS  24           HG2      LYS  24  -3.663   0.437   4.217
  195    HG3  LYS  24           HG1      LYS  24  -5.170   0.815   3.382
  196    HD2  LYS  24           HD2      LYS  24  -5.101  -1.190   2.139
  197    HD3  LYS  24           HD1      LYS  24  -3.413  -1.488   2.562
  198    HE2  LYS  24           HE2      LYS  24  -4.984  -2.943   3.790
  199    HE3  LYS  24           HE1      LYS  24  -4.030  -1.920   4.860
  200    HZ1  LYS  24           HZ1      LYS  24  -6.835  -1.410   4.026
  201    HZ2  LYS  24           HZ2      LYS  24  -5.920  -0.425   5.047
  202    HZ3  LYS  24           HZ3      LYS  24  -6.340  -1.986   5.535
  203    H    ARG  25           HN       ARG  25  -4.494   3.546   0.260
  204    HA   ARG  25           HA       ARG  25  -7.079   3.751   1.436
  205    HB2  ARG  25           HB2      ARG  25  -5.497   5.629  -0.309
  206    HB3  ARG  25           HB1      ARG  25  -7.060   6.040   0.391
  207    HG2  ARG  25           HG2      ARG  25  -6.209   5.837   2.605
  208    HG3  ARG  25           HG1      ARG  25  -4.691   5.157   2.017
  209    HD2  ARG  25           HD2      ARG  25  -4.250   7.311   0.849
  210    HD3  ARG  25           HD1      ARG  25  -5.695   7.975   1.613
  211    HE   ARG  25           HE       ARG  25  -4.510   7.359   3.780
  212   HH11  ARG  25          HH11      ARG  25  -1.427   8.888   1.706
  213   HH12  ARG  25          HH12      ARG  25  -2.831   8.327   0.861
  214   HH21  ARG  25          HH21      ARG  25  -1.331   8.758   4.003
  215   HH22  ARG  25          HH22      ARG  25  -2.659   8.079   4.892
  216    H    THR  26           HN       THR  26  -6.094   2.450  -1.498
  217    HA   THR  26           HA       THR  26  -8.549   3.102  -2.888
  218    HB   THR  26           HB       THR  26  -7.774   1.667  -4.682
  219    HG1  THR  26           HG1      THR  26  -5.458   1.069  -3.139
  220   HG21  THR  26          HG21      THR  26  -5.526   3.366  -3.598
  221   HG22  THR  26          HG22      THR  26  -6.867   3.934  -4.592
  222   HG23  THR  26          HG23      THR  26  -5.685   2.809  -5.264
  223    H    HIS  27           HN       HIS  27  -7.347   0.625  -0.766
  224    HA   HIS  27           HA       HIS  27  -9.505  -1.214  -1.339
  225    HB2  HIS  27           HB2      HIS  27  -7.562  -1.127   0.977
  226    HB3  HIS  27           HB1      HIS  27  -8.755  -2.391   0.729
  227    HD1  HIS  27           HD1      HIS  27  -8.362  -3.655  -1.823
  228    HD2  HIS  27           HD2      HIS  27  -5.167  -1.794   0.106
  229    HE1  HIS  27           HE1      HIS  27  -6.226  -4.676  -2.780
  230    H    THR  28           HN       THR  28  -8.772   1.342   0.940
  231    HA   THR  28           HA       THR  28 -10.937   0.771   2.699
  232    HB   THR  28           HB       THR  28  -8.780   2.117   3.209
  233    HG1  THR  28           HG1      THR  28 -10.571   1.813   4.668
  234   HG21  THR  28          HG21      THR  28  -9.079   3.803   1.432
  235   HG22  THR  28          HG22      THR  28  -9.001   4.536   3.033
  236   HG23  THR  28          HG23      THR  28 -10.556   4.352   2.222
  237    H    GLY  29           HN       GLY  29 -12.557   2.599   3.180
  238    HA2  GLY  29           HA2      GLY  29 -13.648   4.382   1.490
  239    HA3  GLY  29           HA1      GLY  29 -14.142   2.853   0.773
  240    H    GLU  30           HN       GLU  30 -14.687   1.272   2.796
  241    HA   GLU  30           HA       GLU  30 -16.944   2.503   4.146
  242    HB2  GLU  30           HB2      GLU  30 -15.926  -0.348   4.150
  243    HB3  GLU  30           HB1      GLU  30 -17.395   0.194   4.943
  244    HG2  GLU  30           HG2      GLU  30 -16.870   0.359   1.987
  245    HG3  GLU  30           HG1      GLU  30 -17.819  -0.893   2.787
  246    H    LYS  31           HN       LYS  31 -14.928   3.804   5.076
  247    HA   LYS  31           HA       LYS  31 -14.646   3.075   7.819
  248    HB2  LYS  31           HB2      LYS  31 -12.948   1.595   6.774
  249    HB3  LYS  31           HB1      LYS  31 -12.167   3.007   6.084
  250    HG2  LYS  31           HG2      LYS  31 -10.989   2.211   8.054
  251    HG3  LYS  31           HG1      LYS  31 -11.645   3.828   8.314
  252    HD2  LYS  31           HD2      LYS  31 -13.462   2.944   9.612
  253    HD3  LYS  31           HD1      LYS  31 -12.992   1.288   9.221
  254    HE2  LYS  31           HE2      LYS  31 -12.286   1.929  11.481
  255    HE3  LYS  31           HE1      LYS  31 -10.912   1.566  10.442
  256    HZ1  LYS  31           HZ1      LYS  31 -10.651   3.982  10.091
  257    HZ2  LYS  31           HZ2      LYS  31 -10.453   3.528  11.706
  258    HZ3  LYS  31           HZ3      LYS  31 -11.890   4.265  11.208
  259    HN1  NH2  32           HN1      NH2  32 -15.732   5.167   7.611
  260    HN2  NH2  32           HN2      NH2  32 -14.778   6.606   7.479