*HEADER    DE NOVO PROTEIN                         20-JUL-18   6E5H              
*TITLE     HETEROGENEOUS-BACKBONE MIMICS OF A DESIGNED DISULFIDE-RICH PROTEIN:   
*TITLE    2 AIB TURN                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED PEPTIDE NC_HEE_D1: AIB TURN MUTANT;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    HETEROGENEOUS BACKBONE FOLDAMER, DE NOVO PROTEIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    C.C.CABALTEJA,D.S.MIHALKO,W.S.HORNE                                   
*REVDAT   1   21-NOV-18 6E5H    0                                                
# Restraints file 1: unambig.tbl
assign (segid "    " and resid   28 and name  HN2) (segid "    " and resid   28 and name  HN1) 1.762 0.388 0.388 weight 1.000 ! spec=NOESY, no=3, id=0, vol=2.600000e+08
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name  HB2) 1.770 0.392 0.392 weight 1.000 ! spec=NOESY, no=4, id=1, vol=2.530000e+08
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HB2) 1.791 0.401 0.401 weight 1.000 ! spec=NOESY, no=5, id=2, vol=2.360000e+08
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HB2) 1.792 0.402 0.402 weight 1.000 ! spec=NOESY, no=6, id=3, vol=2.350000e+08
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   23 and name  HD1) 1.799 0.404 0.404 weight 1.000 ! spec=NOESY, no=7, id=4, vol=2.300000e+08
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HB2) 1.799 0.404 0.404 weight 1.000 ! spec=NOESY, no=8, id=5, vol=2.300000e+08
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name  HB2) 1.800 0.405 0.405 weight 1.000 ! spec=NOESY, no=9, id=6, vol=2.290000e+08
assign (segid "    " and resid    1 and name HD21) (segid "    " and resid    1 and name HD22) 1.800 0.405 0.405 weight 1.000 ! spec=NOESY, no=10, id=7, vol=2.290000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HB2) 1.835 0.421 0.421 weight 1.000 ! spec=NOESY, no=11, id=8, vol=2.040000e+08
assign (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HD2) 1.849 0.427 0.427 weight 1.000 ! spec=NOESY, no=12, id=9, vol=1.950000e+08
assign (segid "    " and resid   20 and name  HD1) (segid "    " and resid   20 and name  HD2) 1.855 0.430 0.430 weight 1.000 ! spec=NOESY, no=13, id=10, vol=1.910000e+08
assign (segid "    " and resid   11 and name  HE1) (segid "    " and resid   11 and name  HD1) 1.983 0.492 0.492 weight 1.000 ! spec=NOESY, no=14, id=11, vol=1.280000e+08
    or (segid "    " and resid   11 and name  HE1) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name   HN) 2.008 0.504 0.504 weight 1.000 ! spec=NOESY, no=15, id=12, vol=1.190000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 2.013 0.507 0.507 weight 1.000 ! spec=NOESY, no=16, id=13, vol=1.170000e+08
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   18 and name   HN) 2.037 0.519 0.519 weight 1.000 ! spec=NOESY, no=17, id=14, vol=1.090000e+08
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name   HN) 2.060 0.530 0.530 weight 1.000 ! spec=NOESY, no=18, id=15, vol=1.020000e+08
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 2.104 0.553 0.553 weight 1.000 ! spec=NOESY, no=19, id=16, vol=8.980000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HN) 2.127 0.566 0.566 weight 1.000 ! spec=NOESY, no=21, id=18, vol=8.410000e+07
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name  HG2) 2.132 0.568 0.568 weight 1.000 ! spec=NOESY, no=22, id=19, vol=8.300000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name   HN) 2.133 0.569 0.569 weight 1.000 ! spec=NOESY, no=23, id=20, vol=8.270000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HN) 2.137 0.571 0.571 weight 1.000 ! spec=NOESY, no=24, id=21, vol=8.170000e+07
assign (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name   HA) 2.142 0.573 0.573 weight 1.000 ! spec=NOESY, no=25, id=22, vol=8.070000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name  HD2) 2.148 0.577 0.577 weight 1.000 ! spec=NOESY, no=26, id=23, vol=7.940000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.180 0.594 0.594 weight 1.000 ! spec=NOESY, no=29, id=26, vol=7.250000e+07
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name  HD2) 2.186 0.598 0.598 weight 1.000 ! spec=NOESY, no=30, id=27, vol=7.130000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 2.242 0.628 0.628 weight 1.000 ! spec=NOESY, no=32, id=29, vol=6.130000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name   HN) 2.248 0.632 0.632 weight 1.000 ! spec=NOESY, no=33, id=30, vol=6.040000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name  HD1) 2.254 0.635 0.635 weight 1.000 ! spec=NOESY, no=34, id=31, vol=5.940000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.257 0.637 0.637 weight 1.000 ! spec=NOESY, no=36, id=33, vol=5.890000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG22) 2.266 0.642 0.642 weight 1.000 ! spec=NOESY, no=37, id=34, vol=5.760000e+07
    or (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.270 0.644 0.644 weight 1.000 ! spec=NOESY, no=38, id=35, vol=5.690000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   25 and name HG22) 2.274 0.647 0.647 weight 1.000 ! spec=NOESY, no=39, id=36, vol=5.630000e+07
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HD1) 2.294 0.658 0.658 weight 1.000 ! spec=NOESY, no=41, id=38, vol=5.350000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG22) 2.302 0.663 0.663 weight 1.000 ! spec=NOESY, no=42, id=39, vol=5.230000e+07
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HD1) 2.306 0.665 0.665 weight 1.000 ! spec=NOESY, no=43, id=40, vol=5.180000e+07
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HN) 2.307 0.665 0.665 weight 1.000 ! spec=NOESY, no=44, id=41, vol=5.170000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB2) 2.310 0.667 0.667 weight 1.000 ! spec=NOESY, no=45, id=42, vol=5.130000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB2) 2.311 0.668 0.668 weight 1.000 ! spec=NOESY, no=46, id=43, vol=5.110000e+07
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB1)
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name   HN) 2.314 0.670 0.670 weight 1.000 ! spec=NOESY, no=47, id=44, vol=5.070000e+07
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   13 and name   HN) 2.316 0.670 0.670 weight 1.000 ! spec=NOESY, no=48, id=45, vol=5.050000e+07
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.319 0.672 0.672 weight 1.000 ! spec=NOESY, no=49, id=46, vol=5.010000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB2) 2.330 0.679 0.679 weight 1.000 ! spec=NOESY, no=50, id=47, vol=4.870000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB1)
assign (segid "    " and resid   13 and name  HA1) (segid "    " and resid   13 and name   HN) 2.336 0.682 0.682 weight 1.000 ! spec=NOESY, no=51, id=48, vol=4.800000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   14 and name  HB2) 2.338 0.683 0.683 weight 1.000 ! spec=NOESY, no=52, id=49, vol=4.770000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name   HN) 2.344 0.687 0.687 weight 1.000 ! spec=NOESY, no=53, id=50, vol=4.700000e+07
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG12) 2.345 0.687 0.687 weight 1.000 ! spec=NOESY, no=54, id=51, vol=4.690000e+07
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.345 0.688 0.688 weight 1.000 ! spec=NOESY, no=55, id=52, vol=4.680000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB1)
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HN) 2.356 0.694 0.694 weight 1.000 ! spec=NOESY, no=56, id=53, vol=4.560000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD1) 2.356 0.694 0.694 weight 1.000 ! spec=NOESY, no=57, id=54, vol=4.550000e+07
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB2) 2.357 0.695 0.695 weight 1.000 ! spec=NOESY, no=58, id=55, vol=4.540000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB1) 2.360 0.696 0.696 weight 1.000 ! spec=NOESY, no=59, id=56, vol=4.510000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD1) 2.361 0.697 0.697 weight 1.000 ! spec=NOESY, no=60, id=57, vol=4.500000e+07
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB2) 2.363 0.698 0.698 weight 1.000 ! spec=NOESY, no=61, id=58, vol=4.480000e+07
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG12) 2.371 0.702 0.702 weight 1.000 ! spec=NOESY, no=62, id=59, vol=4.390000e+07
    or (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 2.381 0.708 0.708 weight 1.000 ! spec=NOESY, no=63, id=60, vol=4.280000e+07
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HA) 2.382 0.709 0.709 weight 1.000 ! spec=NOESY, no=64, id=61, vol=4.260000e+07
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name HD22) 2.382 0.709 0.709 weight 1.000 ! spec=NOESY, no=65, id=62, vol=4.260000e+07
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.383 0.710 0.710 weight 1.000 ! spec=NOESY, no=66, id=63, vol=4.250000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA) 2.399 0.719 0.719 weight 1.000 ! spec=NOESY, no=68, id=65, vol=4.090000e+07
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HD2) 2.410 0.726 0.726 weight 1.000 ! spec=NOESY, no=70, id=67, vol=3.980000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name   HN) 2.416 0.729 0.729 weight 1.000 ! spec=NOESY, no=71, id=68, vol=3.920000e+07
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name   HN) 2.418 0.731 0.731 weight 1.000 ! spec=NOESY, no=72, id=69, vol=3.900000e+07
assign (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name HD22) 2.420 0.732 0.732 weight 1.000 ! spec=NOESY, no=73, id=70, vol=3.880000e+07
    or (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HN) 2.421 0.733 0.733 weight 1.000 ! spec=NOESY, no=75, id=72, vol=3.870000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB1) 2.423 0.734 0.734 weight 1.000 ! spec=NOESY, no=76, id=73, vol=3.850000e+07
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HN) 2.425 0.735 0.735 weight 1.000 ! spec=NOESY, no=77, id=74, vol=3.830000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB2) 2.433 0.740 0.740 weight 1.000 ! spec=NOESY, no=78, id=75, vol=3.760000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB2) 2.433 0.740 0.740 weight 1.000 ! spec=NOESY, no=79, id=76, vol=3.760000e+07
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name   HN) 2.433 0.740 0.740 weight 1.000 ! spec=NOESY, no=81, id=78, vol=3.760000e+07
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HA) 2.436 0.742 0.742 weight 1.000 ! spec=NOESY, no=82, id=79, vol=3.730000e+07
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HN) 2.436 0.742 0.742 weight 1.000 ! spec=NOESY, no=83, id=80, vol=3.730000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB1) 2.441 0.745 0.745 weight 1.000 ! spec=NOESY, no=84, id=81, vol=3.680000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD22) 2.443 0.746 0.746 weight 1.000 ! spec=NOESY, no=85, id=82, vol=3.660000e+07
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 2.445 0.747 0.747 weight 1.000 ! spec=NOESY, no=86, id=83, vol=3.650000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB1) 2.449 0.750 0.750 weight 1.000 ! spec=NOESY, no=87, id=84, vol=3.610000e+07
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    6 and name   HN) 2.454 0.753 0.753 weight 1.000 ! spec=NOESY, no=88, id=85, vol=3.570000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name   HN) 2.461 0.757 0.757 weight 1.000 ! spec=NOESY, no=89, id=86, vol=3.510000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 2.462 0.758 0.758 weight 1.000 ! spec=NOESY, no=90, id=87, vol=3.500000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name   HN) 2.470 0.763 0.763 weight 1.000 ! spec=NOESY, no=92, id=89, vol=3.430000e+07
assign (segid "    " and resid   13 and name  HA2) (segid "    " and resid   13 and name   HN) 2.475 0.766 0.766 weight 1.000 ! spec=NOESY, no=93, id=90, vol=3.390000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG22) 2.477 0.767 0.767 weight 1.000 ! spec=NOESY, no=94, id=91, vol=3.370000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD1) 2.481 0.769 0.769 weight 1.000 ! spec=NOESY, no=95, id=92, vol=3.340000e+07
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HD1) 2.486 0.773 0.773 weight 1.000 ! spec=NOESY, no=97, id=94, vol=3.300000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB1) 2.487 0.773 0.773 weight 1.000 ! spec=NOESY, no=98, id=95, vol=3.290000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HD1) 2.491 0.776 0.776 weight 1.000 ! spec=NOESY, no=99, id=96, vol=3.260000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HD1) 2.491 0.776 0.776 weight 1.000 ! spec=NOESY, no=100, id=97, vol=3.260000e+07
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG22) 2.494 0.777 0.777 weight 1.000 ! spec=NOESY, no=102, id=99, vol=3.240000e+07
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name   HN) 2.497 0.780 0.780 weight 1.000 ! spec=NOESY, no=103, id=100, vol=3.210000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG12) 2.497 0.780 0.780 weight 1.000 ! spec=NOESY, no=104, id=101, vol=3.210000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HN) 2.497 0.780 0.780 weight 1.000 ! spec=NOESY, no=105, id=102, vol=3.210000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    5 and name   HN) 2.499 0.780 0.780 weight 1.000 ! spec=NOESY, no=106, id=103, vol=3.200000e+07
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name  HD2) 2.499 0.780 0.780 weight 1.000 ! spec=NOESY, no=107, id=104, vol=3.200000e+07
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   11 and name  HE1) 2.501 0.782 0.782 weight 1.000 ! spec=NOESY, no=109, id=106, vol=3.180000e+07
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HG2) 2.504 0.784 0.784 weight 1.000 ! spec=NOESY, no=110, id=107, vol=3.160000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name  HG2)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB2) 2.505 0.785 0.785 weight 1.000 ! spec=NOESY, no=111, id=108, vol=3.150000e+07
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   16 and name HG22) 2.505 0.785 0.785 weight 1.000 ! spec=NOESY, no=112, id=109, vol=3.150000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HN) 2.517 0.792 0.792 weight 1.000 ! spec=NOESY, no=113, id=110, vol=3.060000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name   HN) 2.537 0.805 0.805 weight 1.000 ! spec=NOESY, no=115, id=112, vol=2.920000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB2) 2.548 0.811 0.811 weight 1.000 ! spec=NOESY, no=116, id=113, vol=2.850000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG22) 2.555 0.816 0.816 weight 1.000 ! spec=NOESY, no=117, id=114, vol=2.800000e+07
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name   HN) 2.558 0.818 0.818 weight 1.000 ! spec=NOESY, no=118, id=115, vol=2.780000e+07
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   25 and name HG22) 2.567 0.824 0.824 weight 1.000 ! spec=NOESY, no=120, id=117, vol=2.720000e+07
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name  HB2) 2.585 0.835 0.835 weight 1.000 ! spec=NOESY, no=121, id=118, vol=2.610000e+07
    or (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name  HB1)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   23 and name   HN) 2.590 0.839 0.839 weight 1.000 ! spec=NOESY, no=122, id=119, vol=2.580000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name HD12) 2.590 0.839 0.839 weight 1.000 ! spec=NOESY, no=123, id=120, vol=2.580000e+07
    or (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HE) 2.590 0.839 0.839 weight 1.000 ! spec=NOESY, no=124, id=121, vol=2.580000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HE)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HA) 2.592 0.840 0.840 weight 1.000 ! spec=NOESY, no=125, id=122, vol=2.570000e+07
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name   HA)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG2) 2.597 0.843 0.843 weight 1.000 ! spec=NOESY, no=127, id=124, vol=2.540000e+07
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG1)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB1) 2.599 0.844 0.844 weight 1.000 ! spec=NOESY, no=128, id=125, vol=2.530000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG12) 2.600 0.845 0.845 weight 1.000 ! spec=NOESY, no=129, id=126, vol=2.520000e+07
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HN) 2.605 0.849 0.849 weight 1.000 ! spec=NOESY, no=130, id=127, vol=2.490000e+07
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    7 and name   HN) 2.607 0.850 0.850 weight 1.000 ! spec=NOESY, no=131, id=128, vol=2.480000e+07
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   10 and name   HN) 2.609 0.851 0.851 weight 1.000 ! spec=NOESY, no=132, id=129, vol=2.470000e+07
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   17 and name   HN) 2.609 0.851 0.851 weight 1.000 ! spec=NOESY, no=133, id=130, vol=2.470000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    6 and name   HN) 2.613 0.853 0.853 weight 1.000 ! spec=NOESY, no=134, id=131, vol=2.450000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name   HN) 2.613 0.853 0.853 weight 1.000 ! spec=NOESY, no=135, id=132, vol=2.450000e+07
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name  HD1) 2.620 0.858 0.858 weight 1.000 ! spec=NOESY, no=136, id=133, vol=2.410000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB2) 2.625 0.861 0.861 weight 1.000 ! spec=NOESY, no=137, id=134, vol=2.380000e+07
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB1)
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HN) 2.629 0.864 0.864 weight 1.000 ! spec=NOESY, no=138, id=135, vol=2.360000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG12) 2.629 0.864 0.864 weight 1.000 ! spec=NOESY, no=139, id=136, vol=2.360000e+07
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name HD12) 2.634 0.868 0.868 weight 1.000 ! spec=NOESY, no=140, id=137, vol=2.330000e+07
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   10 and name   HN) 2.634 0.868 0.868 weight 1.000 ! spec=NOESY, no=141, id=138, vol=2.330000e+07
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2) 2.642 0.873 0.873 weight 1.000 ! spec=NOESY, no=142, id=139, vol=2.290000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name   HN) 2.642 0.873 0.873 weight 1.000 ! spec=NOESY, no=143, id=140, vol=2.290000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HD2) 2.644 0.874 0.874 weight 1.000 ! spec=NOESY, no=144, id=141, vol=2.280000e+07
assign (segid "    " and resid   12 and name HB12) (segid "    " and resid   12 and name   HN) 2.644 0.874 0.874 weight 1.000 ! spec=NOESY, no=145, id=142, vol=2.280000e+07
    or (segid "    " and resid   12 and name HB11) (segid "    " and resid   12 and name   HN)
    or (segid "    " and resid   12 and name HB13) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name   HN) 2.644 0.874 0.874 weight 1.000 ! spec=NOESY, no=146, id=143, vol=2.280000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid   23 and name  HE1) 2.648 0.876 0.876 weight 1.000 ! spec=NOESY, no=147, id=144, vol=2.260000e+07
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name  HG2) 2.652 0.879 0.879 weight 1.000 ! spec=NOESY, no=148, id=145, vol=2.240000e+07
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name  HG2)
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HN) 2.654 0.880 0.880 weight 1.000 ! spec=NOESY, no=149, id=146, vol=2.230000e+07
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   17 and name   HN) 2.656 0.882 0.882 weight 1.000 ! spec=NOESY, no=150, id=147, vol=2.220000e+07
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name HD22) 2.656 0.882 0.882 weight 1.000 ! spec=NOESY, no=151, id=148, vol=2.220000e+07
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name   HN) 2.660 0.884 0.884 weight 1.000 ! spec=NOESY, no=152, id=149, vol=2.200000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   16 and name HG12) 2.660 0.884 0.884 weight 1.000 ! spec=NOESY, no=153, id=150, vol=2.200000e+07
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 2.660 0.884 0.884 weight 1.000 ! spec=NOESY, no=154, id=151, vol=2.200000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HG2) 2.662 0.886 0.886 weight 1.000 ! spec=NOESY, no=155, id=152, vol=2.190000e+07
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD2) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=156, id=153, vol=2.180000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name HD12) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=157, id=154, vol=2.180000e+07
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   14 and name  HB1) 2.666 0.888 0.888 weight 1.000 ! spec=NOESY, no=158, id=155, vol=2.170000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name   HN) 2.666 0.888 0.888 weight 1.000 ! spec=NOESY, no=159, id=156, vol=2.170000e+07
assign (segid "    " and resid    5 and name  HD2) (segid "    " and resid    5 and name   HA) 2.666 0.888 0.888 weight 1.000 ! spec=NOESY, no=160, id=157, vol=2.170000e+07
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.666 0.888 0.888 weight 1.000 ! spec=NOESY, no=161, id=158, vol=2.170000e+07
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid    7 and name HD22) 2.668 0.890 0.890 weight 1.000 ! spec=NOESY, no=162, id=159, vol=2.160000e+07
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.674 0.894 0.894 weight 1.000 ! spec=NOESY, no=163, id=160, vol=2.130000e+07
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.685 0.901 0.901 weight 1.000 ! spec=NOESY, no=164, id=161, vol=2.080000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HN) 2.687 0.902 0.902 weight 1.000 ! spec=NOESY, no=165, id=162, vol=2.070000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HB) 2.689 0.904 0.904 weight 1.000 ! spec=NOESY, no=166, id=163, vol=2.060000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HN) 2.691 0.905 0.905 weight 1.000 ! spec=NOESY, no=167, id=164, vol=2.050000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   16 and name   HN) 2.691 0.905 0.905 weight 1.000 ! spec=NOESY, no=168, id=165, vol=2.050000e+07
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HE1) 2.691 0.905 0.905 weight 1.000 ! spec=NOESY, no=169, id=166, vol=2.050000e+07
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name   HN) 2.694 0.907 0.907 weight 1.000 ! spec=NOESY, no=170, id=167, vol=2.040000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.694 0.907 0.907 weight 1.000 ! spec=NOESY, no=171, id=168, vol=2.040000e+07
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   11 and name  HE1) 2.696 0.908 0.908 weight 1.000 ! spec=NOESY, no=173, id=170, vol=2.030000e+07
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   24 and name   HN) 2.698 0.910 0.910 weight 1.000 ! spec=NOESY, no=174, id=171, vol=2.020000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 2.702 0.913 0.913 weight 1.000 ! spec=NOESY, no=175, id=172, vol=2.000000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name  HN2) 2.705 0.914 0.914 weight 1.000 ! spec=NOESY, no=176, id=173, vol=1.990000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB1) 2.707 0.916 0.916 weight 1.000 ! spec=NOESY, no=177, id=174, vol=1.980000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HN) 2.709 0.917 0.917 weight 1.000 ! spec=NOESY, no=178, id=175, vol=1.970000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   26 and name  HB1) 2.709 0.917 0.917 weight 1.000 ! spec=NOESY, no=179, id=176, vol=1.970000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   26 and name  HB1)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HD1) 2.709 0.917 0.917 weight 1.000 ! spec=NOESY, no=180, id=177, vol=1.970000e+07
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   25 and name   HN) 2.709 0.917 0.917 weight 1.000 ! spec=NOESY, no=181, id=178, vol=1.970000e+07
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.712 0.919 0.919 weight 1.000 ! spec=NOESY, no=182, id=179, vol=1.960000e+07
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   25 and name HG22) 2.716 0.922 0.922 weight 1.000 ! spec=NOESY, no=183, id=180, vol=1.940000e+07
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HN) 2.719 0.924 0.924 weight 1.000 ! spec=NOESY, no=184, id=181, vol=1.930000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   16 and name HG12) 2.719 0.924 0.924 weight 1.000 ! spec=NOESY, no=185, id=182, vol=1.930000e+07
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid   17 and name   HN) 2.730 0.932 0.932 weight 1.000 ! spec=NOESY, no=186, id=183, vol=1.880000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 2.730 0.932 0.932 weight 1.000 ! spec=NOESY, no=187, id=184, vol=1.880000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN) 2.735 0.935 0.935 weight 1.000 ! spec=NOESY, no=189, id=186, vol=1.860000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   16 and name HG22) 2.735 0.935 0.935 weight 1.000 ! spec=NOESY, no=190, id=187, vol=1.860000e+07
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid    8 and name  HD2) (segid "    " and resid    8 and name   HA) 2.735 0.935 0.935 weight 1.000 ! spec=NOESY, no=191, id=188, vol=1.860000e+07
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HG2) 2.735 0.935 0.935 weight 1.000 ! spec=NOESY, no=192, id=189, vol=1.860000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   26 and name  HB2) 2.745 0.942 0.942 weight 1.000 ! spec=NOESY, no=193, id=190, vol=1.820000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   26 and name  HB2)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name   HN) 2.745 0.942 0.942 weight 1.000 ! spec=NOESY, no=194, id=191, vol=1.820000e+07
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HG1) 2.750 0.946 0.946 weight 1.000 ! spec=NOESY, no=195, id=192, vol=1.800000e+07
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN) 2.753 0.947 0.947 weight 1.000 ! spec=NOESY, no=196, id=193, vol=1.790000e+07
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name   HN) 2.753 0.947 0.947 weight 1.000 ! spec=NOESY, no=197, id=194, vol=1.790000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name   HN) 2.753 0.947 0.947 weight 1.000 ! spec=NOESY, no=198, id=195, vol=1.790000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB1) 2.755 0.949 0.949 weight 1.000 ! spec=NOESY, no=199, id=196, vol=1.780000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name   HN) 2.755 0.949 0.949 weight 1.000 ! spec=NOESY, no=200, id=197, vol=1.780000e+07
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HN) 2.761 0.953 0.953 weight 1.000 ! spec=NOESY, no=201, id=198, vol=1.760000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    5 and name  HG1) (segid "    " and resid    5 and name   HA) 2.763 0.954 0.954 weight 1.000 ! spec=NOESY, no=202, id=199, vol=1.750000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    4 and name   HN) 2.769 0.958 0.958 weight 1.000 ! spec=NOESY, no=204, id=201, vol=1.730000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   19 and name   HN) 2.769 0.958 0.958 weight 1.000 ! spec=NOESY, no=205, id=202, vol=1.730000e+07
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name   HN) 2.782 0.968 0.968 weight 1.000 ! spec=NOESY, no=206, id=203, vol=1.680000e+07
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HD1) 2.785 0.969 0.969 weight 1.000 ! spec=NOESY, no=207, id=204, vol=1.670000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HN) 2.788 0.971 0.971 weight 1.000 ! spec=NOESY, no=208, id=205, vol=1.660000e+07
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   11 and name  HD1) 2.790 0.973 0.973 weight 1.000 ! spec=NOESY, no=209, id=206, vol=1.650000e+07
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   22 and name   HN) 2.799 0.979 0.979 weight 1.000 ! spec=NOESY, no=211, id=208, vol=1.620000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 2.799 0.979 0.979 weight 1.000 ! spec=NOESY, no=212, id=209, vol=1.620000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD12) 2.805 0.983 0.983 weight 1.000 ! spec=NOESY, no=213, id=210, vol=1.600000e+07
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN) 2.817 0.992 0.992 weight 1.000 ! spec=NOESY, no=215, id=212, vol=1.560000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HB) 2.823 0.996 0.996 weight 1.000 ! spec=NOESY, no=217, id=214, vol=1.540000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HD1) 2.823 0.996 0.996 weight 1.000 ! spec=NOESY, no=218, id=215, vol=1.540000e+07
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HD2) 2.826 0.998 0.998 weight 1.000 ! spec=NOESY, no=219, id=216, vol=1.530000e+07
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HD1) 2.832 1.003 1.003 weight 1.000 ! spec=NOESY, no=220, id=217, vol=1.510000e+07
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   26 and name   HN) 2.835 1.005 1.005 weight 1.000 ! spec=NOESY, no=221, id=218, vol=1.500000e+07
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   13 and name  HA2) (segid "    " and resid   14 and name   HN) 2.838 1.007 1.007 weight 1.000 ! spec=NOESY, no=222, id=219, vol=1.490000e+07
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   25 and name HG12) 2.841 1.009 1.009 weight 1.000 ! spec=NOESY, no=223, id=220, vol=1.480000e+07
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   25 and name HG13)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   25 and name HG12)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   25 and name HG13)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   25 and name HG12)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid   18 and name  HB2) 2.845 1.012 1.012 weight 1.000 ! spec=NOESY, no=224, id=221, vol=1.470000e+07
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid   12 and name HB12) (segid "    " and resid   13 and name   HN) 2.845 1.012 1.012 weight 1.000 ! spec=NOESY, no=225, id=222, vol=1.470000e+07
    or (segid "    " and resid   12 and name HB11) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   12 and name HB13) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   16 and name   HN) 2.861 1.023 1.023 weight 1.000 ! spec=NOESY, no=228, id=225, vol=1.420000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   19 and name   HN) 2.868 1.028 1.028 weight 1.000 ! spec=NOESY, no=229, id=226, vol=1.400000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 2.871 1.031 1.031 weight 1.000 ! spec=NOESY, no=230, id=227, vol=1.390000e+07
assign (segid "    " and resid   10 and name  HD1) (segid "    " and resid   11 and name  HE1) 2.871 1.031 1.031 weight 1.000 ! spec=NOESY, no=231, id=228, vol=1.390000e+07
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.878 1.036 1.036 weight 1.000 ! spec=NOESY, no=232, id=229, vol=1.370000e+07
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   11 and name  HD1) 2.878 1.036 1.036 weight 1.000 ! spec=NOESY, no=233, id=230, vol=1.370000e+07
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.896 1.048 1.048 weight 1.000 ! spec=NOESY, no=234, id=231, vol=1.320000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name   HN) 2.896 1.048 1.048 weight 1.000 ! spec=NOESY, no=235, id=232, vol=1.320000e+07
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HN) 2.896 1.048 1.048 weight 1.000 ! spec=NOESY, no=236, id=233, vol=1.320000e+07
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HE1) 2.896 1.048 1.048 weight 1.000 ! spec=NOESY, no=237, id=234, vol=1.320000e+07
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HG2) 2.896 1.048 1.048 weight 1.000 ! spec=NOESY, no=238, id=235, vol=1.320000e+07
assign (segid "    " and resid    6 and name  HG1) (segid "    " and resid    6 and name   HA) 2.900 1.051 1.051 weight 1.000 ! spec=NOESY, no=239, id=236, vol=1.310000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name HD22) 2.900 1.051 1.051 weight 1.000 ! spec=NOESY, no=240, id=237, vol=1.310000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name HD22)
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   11 and name  HD1) 2.904 1.054 1.054 weight 1.000 ! spec=NOESY, no=241, id=238, vol=1.300000e+07
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.904 1.054 1.054 weight 1.000 ! spec=NOESY, no=242, id=239, vol=1.300000e+07
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   16 and name HG22) 2.907 1.057 1.057 weight 1.000 ! spec=NOESY, no=243, id=240, vol=1.290000e+07
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   17 and name   HE) 2.911 1.059 1.059 weight 1.000 ! spec=NOESY, no=244, id=241, vol=1.280000e+07
    or (segid "    " and resid   17 and name  HD1) (segid "    " and resid   17 and name   HE)
assign (segid "    " and resid   13 and name  HA1) (segid "    " and resid   14 and name   HN) 2.915 1.062 1.062 weight 1.000 ! spec=NOESY, no=245, id=242, vol=1.270000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HD1) 2.915 1.062 1.062 weight 1.000 ! spec=NOESY, no=246, id=243, vol=1.270000e+07
assign (segid "    " and resid   20 and name  HD1) (segid "    " and resid   18 and name  HB2) 2.919 1.065 1.065 weight 1.000 ! spec=NOESY, no=247, id=244, vol=1.260000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name   HN) 2.927 1.071 1.071 weight 1.000 ! spec=NOESY, no=249, id=246, vol=1.240000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name  HD1) 2.930 1.073 1.073 weight 1.000 ! spec=NOESY, no=251, id=248, vol=1.230000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   26 and name   HN) 2.930 1.073 1.073 weight 1.000 ! spec=NOESY, no=252, id=249, vol=1.230000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.934 1.076 1.076 weight 1.000 ! spec=NOESY, no=253, id=250, vol=1.220000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   26 and name   HN) 2.943 1.082 1.082 weight 1.000 ! spec=NOESY, no=254, id=251, vol=1.200000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   23 and name  HE1) 2.943 1.082 1.082 weight 1.000 ! spec=NOESY, no=255, id=252, vol=1.200000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name   HN) 2.943 1.082 1.082 weight 1.000 ! spec=NOESY, no=256, id=253, vol=1.200000e+07
assign (segid "    " and resid   10 and name  HD1) (segid "    " and resid   10 and name   HE) 2.947 1.085 1.085 weight 1.000 ! spec=NOESY, no=257, id=254, vol=1.190000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name   HN) 2.947 1.085 1.085 weight 1.000 ! spec=NOESY, no=258, id=255, vol=1.190000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name   HN)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   23 and name  HD1) 2.959 1.095 1.095 weight 1.000 ! spec=NOESY, no=259, id=256, vol=1.160000e+07
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HN) 2.959 1.095 1.095 weight 1.000 ! spec=NOESY, no=260, id=257, vol=1.160000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   25 and name HG12) 2.964 1.098 1.098 weight 1.000 ! spec=NOESY, no=261, id=258, vol=1.150000e+07
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name   HA) 2.964 1.098 1.098 weight 1.000 ! spec=NOESY, no=262, id=259, vol=1.150000e+07
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid    7 and name HD12) 2.964 1.098 1.098 weight 1.000 ! spec=NOESY, no=263, id=260, vol=1.150000e+07
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid    7 and name HD13)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    7 and name HD12)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    7 and name HD13)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    7 and name HD12)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid    7 and name   HG) (segid "    " and resid   16 and name HG12) 2.968 1.101 1.101 weight 1.000 ! spec=NOESY, no=264, id=261, vol=1.140000e+07
    or (segid "    " and resid    7 and name   HG) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    7 and name   HG) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   23 and name  HE1) 2.972 1.104 1.104 weight 1.000 ! spec=NOESY, no=265, id=262, vol=1.130000e+07
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    8 and name   HN) 2.972 1.104 1.104 weight 1.000 ! spec=NOESY, no=266, id=263, vol=1.130000e+07
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   12 and name   HN) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=267, id=264, vol=1.110000e+07
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   12 and name   HN)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid    8 and name   HA) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=269, id=266, vol=1.110000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   26 and name   HN) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=270, id=267, vol=1.110000e+07
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   11 and name  HD1) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=271, id=268, vol=1.110000e+07
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name   HN) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=272, id=269, vol=1.110000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HN) 2.986 1.114 1.114 weight 1.000 ! spec=NOESY, no=273, id=270, vol=1.100000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name   HN) 2.986 1.114 1.114 weight 1.000 ! spec=NOESY, no=274, id=271, vol=1.100000e+07
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name   HN) 2.990 1.118 1.118 weight 1.000 ! spec=NOESY, no=275, id=272, vol=1.090000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD12) 2.990 1.118 1.118 weight 1.000 ! spec=NOESY, no=276, id=273, vol=1.090000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    6 and name   HN) 2.990 1.118 1.118 weight 1.000 ! spec=NOESY, no=277, id=274, vol=1.090000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   16 and name HG22) 2.990 1.118 1.118 weight 1.000 ! spec=NOESY, no=278, id=275, vol=1.090000e+07
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN) 2.995 1.121 1.121 weight 1.000 ! spec=NOESY, no=279, id=276, vol=1.080000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   15 and name   HN) 2.999 1.125 1.125 weight 1.000 ! spec=NOESY, no=280, id=277, vol=1.070000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 3.004 1.128 1.128 weight 1.000 ! spec=NOESY, no=281, id=278, vol=1.060000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   17 and name   HN) 3.014 1.135 1.135 weight 1.000 ! spec=NOESY, no=283, id=280, vol=1.040000e+07
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name   HN) 3.018 1.139 1.139 weight 1.000 ! spec=NOESY, no=284, id=281, vol=1.030000e+07
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   19 and name   HN) 3.023 1.143 1.143 weight 1.000 ! spec=NOESY, no=285, id=282, vol=1.020000e+07
assign (segid "    " and resid    6 and name  HG1) (segid "    " and resid    6 and name   HN) 3.033 1.150 1.150 weight 1.000 ! spec=NOESY, no=286, id=283, vol=1.000000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    4 and name   HA) 3.033 1.150 1.150 weight 1.000 ! spec=NOESY, no=287, id=284, vol=1.000000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HN) 3.034 1.151 1.151 weight 1.000 ! spec=NOESY, no=288, id=285, vol=9.980000e+06
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid   16 and name HG22) 3.036 1.152 1.152 weight 1.000 ! spec=NOESY, no=289, id=286, vol=9.940000e+06
    or (segid "    " and resid    8 and name  HG2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name  HG2) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   17 and name   HN) 3.036 1.152 1.152 weight 1.000 ! spec=NOESY, no=290, id=287, vol=9.940000e+06
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   24 and name   HN) 3.038 1.154 1.154 weight 1.000 ! spec=NOESY, no=291, id=288, vol=9.900000e+06
assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name   HA) 3.039 1.154 1.154 weight 1.000 ! spec=NOESY, no=292, id=289, vol=9.890000e+06
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name  HN2) 3.041 1.156 1.156 weight 1.000 ! spec=NOESY, no=293, id=290, vol=9.850000e+06
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   14 and name   HN) 3.045 1.159 1.159 weight 1.000 ! spec=NOESY, no=294, id=291, vol=9.780000e+06
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid    9 and name   HA) 3.046 1.160 1.160 weight 1.000 ! spec=NOESY, no=296, id=293, vol=9.750000e+06
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid    9 and name   HA)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid    9 and name   HA)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name HG12) 3.047 1.160 1.160 weight 1.000 ! spec=NOESY, no=297, id=294, vol=9.740000e+06
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   25 and name HG12) 3.047 1.161 1.161 weight 1.000 ! spec=NOESY, no=298, id=295, vol=9.730000e+06
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   25 and name HG13)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   25 and name HG12)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   25 and name HG13)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   25 and name HG12)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   21 and name  HD2) 3.073 1.180 1.180 weight 1.000 ! spec=NOESY, no=299, id=296, vol=9.250000e+06
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   21 and name  HD2)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HD2) 3.074 1.181 1.181 weight 1.000 ! spec=NOESY, no=300, id=297, vol=9.240000e+06
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   23 and name  HD1) 3.080 1.186 1.186 weight 1.000 ! spec=NOESY, no=301, id=298, vol=9.130000e+06
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   22 and name   HN) 3.081 1.186 1.186 weight 1.000 ! spec=NOESY, no=302, id=299, vol=9.110000e+06
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name   HN) 3.083 1.188 1.188 weight 1.000 ! spec=NOESY, no=303, id=300, vol=9.070000e+06
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HE) 3.092 1.195 1.195 weight 1.000 ! spec=NOESY, no=305, id=302, vol=8.910000e+06
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid   16 and name HG12) 3.096 1.198 1.198 weight 1.000 ! spec=NOESY, no=306, id=303, vol=8.840000e+06
    or (segid "    " and resid    8 and name  HG2) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    8 and name  HG2) (segid "    " and resid   16 and name HG13)
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid   16 and name HG12)
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   26 and name   HN) 3.100 1.202 1.202 weight 1.000 ! spec=NOESY, no=307, id=304, vol=8.770000e+06
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name  HD1) 3.102 1.203 1.203 weight 1.000 ! spec=NOESY, no=308, id=305, vol=8.750000e+06
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid    7 and name HD22) 3.103 1.203 1.203 weight 1.000 ! spec=NOESY, no=309, id=306, vol=8.730000e+06
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name HG12) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY, no=310, id=307, vol=8.690000e+06
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name   HN) 3.106 1.206 1.206 weight 1.000 ! spec=NOESY, no=311, id=308, vol=8.670000e+06
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   25 and name HG12) 3.133 1.227 1.227 weight 1.000 ! spec=NOESY, no=314, id=311, vol=8.230000e+06
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   23 and name  HE1) 3.137 1.230 1.230 weight 1.000 ! spec=NOESY, no=315, id=312, vol=8.180000e+06
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG22) 3.139 1.231 1.231 weight 1.000 ! spec=NOESY, no=316, id=313, vol=8.150000e+06
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   26 and name   HN) 3.140 1.232 1.232 weight 1.000 ! spec=NOESY, no=317, id=314, vol=8.130000e+06
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   11 and name  HE1) 3.140 1.233 1.233 weight 1.000 ! spec=NOESY, no=318, id=315, vol=8.120000e+06
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name  HN1) 3.142 1.234 1.234 weight 1.000 ! spec=NOESY, no=319, id=316, vol=8.100000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG2) 3.146 1.237 1.237 weight 1.000 ! spec=NOESY, no=320, id=317, vol=8.040000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG1) 3.154 1.243 1.243 weight 1.000 ! spec=NOESY, no=322, id=319, vol=7.920000e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name   HN) 3.154 1.243 1.243 weight 1.000 ! spec=NOESY, no=323, id=320, vol=7.920000e+06
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid    7 and name HD12) 3.156 1.245 1.245 weight 1.000 ! spec=NOESY, no=324, id=321, vol=7.880000e+06
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    8 and name   HN) 3.164 1.251 1.251 weight 1.000 ! spec=NOESY, no=325, id=322, vol=7.770000e+06
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   16 and name   HN) 3.166 1.253 1.253 weight 1.000 ! spec=NOESY, no=327, id=324, vol=7.730000e+06
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HD1) 3.168 1.254 1.254 weight 1.000 ! spec=NOESY, no=328, id=325, vol=7.710000e+06
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   14 and name   HN) 3.172 1.258 1.258 weight 1.000 ! spec=NOESY, no=329, id=326, vol=7.650000e+06
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HN) 3.173 1.259 1.259 weight 1.000 ! spec=NOESY, no=330, id=327, vol=7.630000e+06
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name   HN) 3.187 1.270 1.270 weight 1.000 ! spec=NOESY, no=331, id=328, vol=7.430000e+06
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name   HN) 3.193 1.274 1.274 weight 1.000 ! spec=NOESY, no=332, id=329, vol=7.350000e+06
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name  HD2) 3.194 1.275 1.275 weight 1.000 ! spec=NOESY, no=333, id=330, vol=7.340000e+06
assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name   HA) 3.200 1.280 1.280 weight 1.000 ! spec=NOESY, no=334, id=331, vol=7.250000e+06
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   16 and name   HN) 3.201 1.281 1.281 weight 1.000 ! spec=NOESY, no=335, id=332, vol=7.240000e+06
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   24 and name   HN) 3.209 1.287 1.287 weight 1.000 ! spec=NOESY, no=336, id=333, vol=7.140000e+06
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    7 and name   HN) 3.209 1.287 1.287 weight 1.000 ! spec=NOESY, no=337, id=334, vol=7.140000e+06
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name  HN1) 3.228 1.302 1.302 weight 1.000 ! spec=NOESY, no=340, id=337, vol=6.890000e+06
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name   HA) 3.229 1.303 1.303 weight 1.000 ! spec=NOESY, no=341, id=338, vol=6.870000e+06
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name   HN) 3.232 1.305 1.305 weight 1.000 ! spec=NOESY, no=342, id=339, vol=6.840000e+06
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name   HN) 3.234 1.307 1.307 weight 1.000 ! spec=NOESY, no=343, id=340, vol=6.810000e+06
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   25 and name   HN) 3.262 1.330 1.330 weight 1.000 ! spec=NOESY, no=344, id=341, vol=6.470000e+06
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   25 and name   HN)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   20 and name  HD1) (segid "    " and resid   19 and name   HN) 3.271 1.337 1.337 weight 1.000 ! spec=NOESY, no=345, id=342, vol=6.360000e+06
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name HD22) 3.276 1.342 1.342 weight 1.000 ! spec=NOESY, no=346, id=343, vol=6.300000e+06
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   24 and name   HN) 3.296 1.358 1.358 weight 1.000 ! spec=NOESY, no=348, id=345, vol=6.080000e+06
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   19 and name   HN) 3.302 1.363 1.363 weight 1.000 ! spec=NOESY, no=349, id=346, vol=6.010000e+06
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HE1) 3.305 1.365 1.365 weight 1.000 ! spec=NOESY, no=350, id=347, vol=5.980000e+06
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   15 and name   HN) 3.309 1.369 1.369 weight 1.000 ! spec=NOESY, no=352, id=349, vol=5.930000e+06
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HE1) 3.312 1.371 1.371 weight 1.000 ! spec=NOESY, no=353, id=350, vol=5.900000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   21 and name  HD1) (segid "    " and resid   22 and name   HN) 3.318 1.376 1.376 weight 1.000 ! spec=NOESY, no=354, id=351, vol=5.840000e+06
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD22) 3.320 1.378 1.378 weight 1.000 ! spec=NOESY, no=355, id=352, vol=5.820000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name   HE) 3.333 1.389 1.389 weight 1.000 ! spec=NOESY, no=357, id=354, vol=5.680000e+06
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   16 and name HG12) 3.343 1.397 1.397 weight 1.000 ! spec=NOESY, no=358, id=355, vol=5.580000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG22) 3.357 1.409 1.409 weight 1.000 ! spec=NOESY, no=359, id=356, vol=5.440000e+06
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HE) 3.364 1.414 1.414 weight 1.000 ! spec=NOESY, no=360, id=357, vol=5.380000e+06
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HE)
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name   HN) 3.369 1.419 1.419 weight 1.000 ! spec=NOESY, no=361, id=358, vol=5.330000e+06
assign (segid "    " and resid   10 and name  HD2) (segid "    " and resid   10 and name   HE) 3.369 1.419 1.419 weight 1.000 ! spec=NOESY, no=362, id=359, vol=5.330000e+06
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name  HD2) 3.371 1.420 1.420 weight 1.000 ! spec=NOESY, no=363, id=360, vol=5.310000e+06
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name HD22) 3.371 1.420 1.420 weight 1.000 ! spec=NOESY, no=364, id=361, vol=5.310000e+06
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   23 and name  HD1) 3.371 1.420 1.420 weight 1.000 ! spec=NOESY, no=365, id=362, vol=5.310000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG12) 3.375 1.424 1.424 weight 1.000 ! spec=NOESY, no=366, id=363, vol=5.270000e+06
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   16 and name HG12) 3.389 1.436 1.436 weight 1.000 ! spec=NOESY, no=368, id=365, vol=5.140000e+06
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    8 and name   HN) 3.412 1.455 1.455 weight 1.000 ! spec=NOESY, no=370, id=367, vol=4.940000e+06
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HA) 3.412 1.455 1.455 weight 1.000 ! spec=NOESY, no=371, id=368, vol=4.940000e+06
assign (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name   HN) 3.422 1.464 1.464 weight 1.000 ! spec=NOESY, no=372, id=369, vol=4.850000e+06
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HN) 3.440 1.479 1.479 weight 1.000 ! spec=NOESY, no=373, id=370, vol=4.700000e+06
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   23 and name  HD1) 3.441 1.480 1.480 weight 1.000 ! spec=NOESY, no=374, id=371, vol=4.690000e+06
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    8 and name  HD2) (segid "    " and resid   16 and name HG22) 3.444 1.482 1.482 weight 1.000 ! spec=NOESY, no=376, id=373, vol=4.670000e+06
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HD2) 3.459 1.495 1.495 weight 1.000 ! spec=NOESY, no=377, id=374, vol=4.550000e+06
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name   HN) 3.474 1.509 1.509 weight 1.000 ! spec=NOESY, no=379, id=376, vol=4.430000e+06
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   16 and name HG12) 3.491 1.524 1.524 weight 1.000 ! spec=NOESY, no=380, id=377, vol=4.300000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   27 and name   HN) 3.494 1.526 1.526 weight 1.000 ! spec=NOESY, no=381, id=378, vol=4.280000e+06
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   27 and name   HN)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   27 and name   HN)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    7 and name   HN) 3.498 1.530 1.530 weight 1.000 ! spec=NOESY, no=382, id=379, vol=4.250000e+06
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG12) 3.519 1.548 1.548 weight 1.000 ! spec=NOESY, no=383, id=380, vol=4.100000e+06
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    4 and name   HN) 3.519 1.548 1.548 weight 1.000 ! spec=NOESY, no=384, id=381, vol=4.100000e+06
assign (segid "    " and resid   10 and name  HD1) (segid "    " and resid    7 and name HD22) 3.521 1.549 1.549 weight 1.000 ! spec=NOESY, no=385, id=382, vol=4.090000e+06
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name   HN) 3.532 1.560 1.560 weight 1.000 ! spec=NOESY, no=387, id=384, vol=4.010000e+06
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HE1) 3.540 1.566 1.566 weight 1.000 ! spec=NOESY, no=388, id=385, vol=3.960000e+06
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   16 and name HG22) 3.587 1.608 1.608 weight 1.000 ! spec=NOESY, no=390, id=387, vol=3.660000e+06
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid    4 and name   HN) 3.633 1.650 1.650 weight 1.000 ! spec=NOESY, no=391, id=388, vol=3.390000e+06
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid    8 and name   HN) 3.642 1.658 1.658 weight 1.000 ! spec=NOESY, no=392, id=389, vol=3.340000e+06
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    9 and name  HD2) (segid "    " and resid    9 and name   HA) 3.662 1.676 1.676 weight 1.000 ! spec=NOESY, no=393, id=390, vol=3.230000e+06
    or (segid "    " and resid    9 and name  HD1) (segid "    " and resid    9 and name   HA)
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   17 and name   HN) 3.675 1.689 1.689 weight 1.000 ! spec=NOESY, no=394, id=391, vol=3.160000e+06
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   26 and name  HE1) 3.683 1.696 1.696 weight 1.000 ! spec=NOESY, no=395, id=392, vol=3.120000e+06
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid    8 and name   HN) 3.695 1.707 1.707 weight 1.000 ! spec=NOESY, no=397, id=394, vol=3.060000e+06
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   13 and name  HA1) 3.750 1.758 1.758 weight 1.000 ! spec=NOESY, no=398, id=395, vol=2.800000e+06
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   13 and name  HA1)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   13 and name  HA1)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   11 and name  HE1) 3.819 1.823 1.823 weight 1.000 ! spec=NOESY, no=402, id=398, vol=2.510000e+06
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   25 and name HG22) 3.829 1.833 1.833 weight 1.000 ! spec=NOESY, no=403, id=399, vol=2.470000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG22) 3.853 1.856 1.856 weight 1.000 ! spec=NOESY, no=404, id=400, vol=2.380000e+06
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid    7 and name   HN) 3.884 1.885 1.885 weight 1.000 ! spec=NOESY, no=405, id=401, vol=2.270000e+06
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   16 and name HG22) 4.068 2.068 2.068 weight 1.000 ! spec=NOESY, no=408, id=404, vol=1.720000e+06
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name   HE) 4.117 2.119 2.119 weight 1.000 ! spec=NOESY, no=409, id=405, vol=1.600000e+06
    or (segid "    " and resid   22 and name  HD1) (segid "    " and resid   22 and name   HE)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    3 and name   HN) 4.121 2.123 2.123 weight 1.000 ! spec=NOESY, no=411, id=407, vol=1.590000e+06
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    3 and name   HN)
# Restraints file 2: ambig.tbl
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HA) 2.113 0.558 0.558 weight 1.000 ! spec=NOESY, no=20, id=17, vol=8.750000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HA)
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HA)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    8 and name   HN) 2.154 0.580 0.580 weight 1.000 ! spec=NOESY, no=27, id=24, vol=7.810000e+07
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    3 and name   HA) 2.167 0.587 0.587 weight 1.000 ! spec=NOESY, no=28, id=25, vol=7.520000e+07
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid    3 and name   HA)
    or (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name   HA)
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name   HA)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    9 and name   HN) 2.205 0.608 0.608 weight 1.000 ! spec=NOESY, no=31, id=28, vol=6.770000e+07
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    6 and name   HA) 2.255 0.635 0.635 weight 1.000 ! spec=NOESY, no=35, id=32, vol=5.930000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    6 and name   HA)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid    6 and name   HA)
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid    6 and name   HA)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB2) 2.285 0.653 0.653 weight 1.000 ! spec=NOESY, no=40, id=37, vol=5.470000e+07
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name  HD1)
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name   HA) 2.384 0.711 0.711 weight 1.000 ! spec=NOESY, no=67, id=64, vol=4.240000e+07
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name   HN) 2.463 0.758 0.758 weight 1.000 ! spec=NOESY, no=91, id=88, vol=3.490000e+07
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HA) 2.485 0.772 0.772 weight 1.000 ! spec=NOESY, no=96, id=93, vol=3.310000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HA)
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid    5 and name   HA)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name   HN) 2.492 0.776 0.776 weight 1.000 ! spec=NOESY, no=101, id=98, vol=3.250000e+07
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    6 and name   HN) 2.499 0.780 0.780 weight 1.000 ! spec=NOESY, no=108, id=105, vol=3.200000e+07
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HN) 2.595 0.842 0.842 weight 1.000 ! spec=NOESY, no=126, id=123, vol=2.550000e+07
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    9 and name   HN) 2.694 0.907 0.907 weight 1.000 ! spec=NOESY, no=172, id=169, vol=2.040000e+07
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name   HA) 2.733 0.934 0.934 weight 1.000 ! spec=NOESY, no=188, id=185, vol=1.870000e+07
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HA)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name HG22) 2.766 0.956 0.956 weight 1.000 ! spec=NOESY, no=203, id=200, vol=1.740000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    8 and name   HN) 2.851 1.016 1.016 weight 1.000 ! spec=NOESY, no=226, id=223, vol=1.450000e+07
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name   HN) 2.854 1.019 1.019 weight 1.000 ! spec=NOESY, no=227, id=224, vol=1.440000e+07
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   14 and name   HN) 2.927 1.071 1.071 weight 1.000 ! spec=NOESY, no=248, id=245, vol=1.240000e+07
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name   HN) 2.930 1.073 1.073 weight 1.000 ! spec=NOESY, no=250, id=247, vol=1.230000e+07
    or (segid "    " and resid   17 and name  HG2) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name   HN) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=268, id=265, vol=1.110000e+07
    or (segid "    " and resid   17 and name  HG1) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    6 and name   HA) 3.004 1.128 1.128 weight 1.000 ! spec=NOESY, no=282, id=279, vol=1.060000e+07
    or (segid "    " and resid    6 and name  HG2) (segid "    " and resid    3 and name   HA)
assign (segid "    " and resid    8 and name  HD2) (segid "    " and resid   16 and name HG12) 3.045 1.159 1.159 weight 1.000 ! spec=NOESY, no=295, id=292, vol=9.770000e+06
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid   16 and name HG13)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid   16 and name HG12)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid   16 and name HG13)
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   16 and name HG12)
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   24 and name   HN) 3.132 1.226 1.226 weight 1.000 ! spec=NOESY, no=313, id=310, vol=8.260000e+06
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    7 and name HD12) 3.214 1.291 1.291 weight 1.000 ! spec=NOESY, no=338, id=335, vol=7.070000e+06
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    7 and name HD13)
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD12)
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid    8 and name  HD2) (segid "    " and resid    9 and name   HN) 3.226 1.301 1.301 weight 1.000 ! spec=NOESY, no=339, id=336, vol=6.910000e+06
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name  HD2) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name  HD1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   16 and name HG22) 3.288 1.351 1.351 weight 1.000 ! spec=NOESY, no=347, id=344, vol=6.170000e+06
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    3 and name   HN) 3.323 1.380 1.380 weight 1.000 ! spec=NOESY, no=356, id=353, vol=5.790000e+06
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    3 and name   HN)
    or (segid "    " and resid   26 and name  HB2) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG22) 3.409 1.453 1.453 weight 1.000 ! spec=NOESY, no=369, id=366, vol=4.960000e+06
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    3 and name   HN) 3.472 1.506 1.506 weight 1.000 ! spec=NOESY, no=378, id=375, vol=4.450000e+06
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name   HN)
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   11 and name  HE1) 3.525 1.553 1.553 weight 1.000 ! spec=NOESY, no=386, id=383, vol=4.060000e+06
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG12) 3.546 1.572 1.572 weight 1.000 ! spec=NOESY, no=389, id=386, vol=3.920000e+06
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG13)
    or (segid "    " and resid   27 and name   HA) (segid "    " and resid   25 and name HG12)
    or (segid "    " and resid   27 and name   HA) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   27 and name   HA) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   19 and name   HN) 3.755 1.762 1.762 weight 1.000 ! spec=NOESY, no=400, id=396, vol=2.780000e+06
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   12 and name   HN) 3.802 1.807 1.807 weight 1.000 ! spec=NOESY, no=401, id=397, vol=2.580000e+06
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   12 and name   HN)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   12 and name   HN)
    or (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name   HE)
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   16 and name   HN) 3.916 1.917 1.917 weight 1.000 ! spec=NOESY, no=406, id=402, vol=2.160000e+06
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   16 and name HG12) 3.967 1.967 1.967 weight 1.000 ! spec=NOESY, no=407, id=403, vol=2.000000e+06
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid   16 and name HG13)
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG12)
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG13)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG12)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG13)
# Restraints file 3: wsh2004_Hbonds_final.tbl
!helix
assign  (resid 6 and name HN )  (resid 2 and name O )  1.9 0.1 0.1        
assign  (resid 6 and name N )  (resid 2 and name O )   2.9 0.2 0.2 
assign  (resid 7 and name HN )  (resid 3 and name O )  1.9 0.1 0.1        
assign  (resid 7 and name N )  (resid 3 and name O )   2.9 0.2 0.2 
assign  (resid 8 and name HN )  (resid 4 and name O )  1.9 0.1 0.1        
assign  (resid 8 and name N )  (resid 4 and name O )   2.9 0.2 0.2 
assign  (resid 9 and name HN )  (resid 5 and name O )  1.9 0.1 0.1        
assign  (resid 9 and name N )  (resid 5 and name O )   2.9 0.2 0.2 
assign  (resid 10 and name HN )  (resid 6 and name O )  1.9 0.1 0.1        
assign  (resid 10 and name N )  (resid 6 and name O )   2.9 0.2 0.2 
assign  (resid 11 and name HN )  (resid 7 and name O )  1.9 0.1 0.1        
assign  (resid 11 and name N )  (resid 7 and name O )   2.9 0.2 0.2 
!turn
assign  (resid 14 and name HN )  (resid 11 and name O )  1.9 0.1 0.1        
assign  (resid 14 and name N )  (resid 11 and name O )   2.9 0.2 0.2 
!hairpin
assign  (resid 22 and name HN )  (resid 19 and name O )  1.9 0.1 0.1        
assign  (resid 22 and name N )  (resid 19 and name O )   2.9 0.2 0.2 
assign  (resid 19 and name HN )  (resid 22 and name O )  1.9 0.1 0.1        
assign  (resid 19 and name N )  (resid 22 and name O )   2.9 0.2 0.2 
assign  (resid 24 and name HN )  (resid 17 and name O )  1.9 0.1 0.1        
assign  (resid 24 and name N )  (resid 17 and name O )   2.9 0.2 0.2 
assign  (resid 17 and name HN )  (resid 24 and name O )  1.9 0.1 0.1        
assign  (resid 17 and name N )  (resid 24 and name O )   2.9 0.2 0.2 
assign  (resid 26 and name HN )  (resid 15 and name O )  1.9 0.1 0.1       
assign  (resid 26 and name N )  (resid 15 and name O )   2.9 0.2 0.2  
assign  (resid 15 and name HN )  (resid 26 and name O )  1.9 0.1 0.1       
assign  (resid 15 and name N )  (resid 26 and name O )   2.9 0.2 0.2  

# Restraints file 4: wsh2004_dihedrals_final.tbl
!Phi angle constraints
!D2
 assign (resid  1  and name C ) (resid  2  and name N ) 
        (resid  2  and name CA) (resid  2  and name C )   1.0  -65.0 25.0 2
!K3
 assign (resid  2  and name C ) (resid  3  and name N ) 
        (resid  3  and name CA) (resid  3  and name C )   1.0  -65.0 25.0 2
!C4
 assign (resid  3  and name C ) (resid  4  and name N ) 
        (resid  4  and name CA) (resid  4  and name C )   1.0  -65.0 25.0 2
!K5
 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
!E6
 assign (resid  5  and name C ) (resid  6  and name N ) 
        (resid  6  and name CA) (resid  6  and name C )   1.0  -65.0 25.0 2
!L7
 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
!K8
 assign (resid  7  and name C ) (resid  8  and name N ) 
        (resid  8  and name CA) (resid  8  and name C )   1.0  -65.0 25.0 2

!C14
 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
!E15
 assign (resid 14  and name C ) (resid 15  and name N ) 
        (resid 15  and name CA) (resid 15  and name C )   1.0  -120.0 40.0 2
!V16
 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
!R17
 assign (resid 16  and name C ) (resid 17  and name N ) 
        (resid 17  and name CA) (resid 17  and name C )   1.0  -120.0 40.0 2
!C18
 assign (resid 17  and name C ) (resid 18  and name N ) 
        (resid 18  and name CA) (resid 18  and name C )   1.0  -120.0 40.0 2
!R22
 assign (resid 21  and name C ) (resid 22  and name N ) 
        (resid 22  and name CA) (resid 22  and name C )   1.0  -120.0 40.0 2
!Y23
 assign (resid 22  and name C ) (resid 23  and name N ) 
        (resid 23  and name CA) (resid 23  and name C )   1.0  -120.0 40.0 2
!E24
 assign (resid 23  and name C ) (resid 24  and name N ) 
        (resid 24  and name CA) (resid 24  and name C )   1.0  -120.0 40.0 2
!H26
 assign (resid 25  and name C ) (resid 26  and name N ) 
        (resid 26  and name CA) (resid 26  and name C )   1.0  -120.0 40.0 2
!C27
 assign (resid 26  and name C ) (resid 27  and name N ) 
        (resid 27  and name CA) (resid 27  and name C )   1.0  -120.0 40.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN   1           HT1      ASN   1   9.146  -5.601   3.229
    2    H2   ASN   1           HT2      ASN   1  10.613  -5.928   4.009
    3    H3   ASN   1           HT3      ASN   1  10.553  -5.870   2.321
    4    HA   ASN   1           HA       ASN   1  10.163  -3.624   4.198
    5    HB2  ASN   1           HB2      ASN   1  12.318  -4.214   2.160
    6    HB3  ASN   1           HB1      ASN   1  12.155  -2.685   3.014
    7   HD21  ASN   1          HD21      ASN   1  14.370  -4.532   3.031
    8   HD22  ASN   1          HD22      ASN   1  14.593  -5.012   4.678
    9    H    ASP   2           HN       ASP   2   9.503  -4.938   1.087
   10    HA   ASP   2           HA       ASP   2   8.787  -2.448  -0.159
   11    HB2  ASP   2           HB2      ASP   2   8.106  -5.315  -0.866
   12    HB3  ASP   2           HB1      ASP   2   7.643  -3.925  -1.835
   13    H    LYS   3           HN       LYS   3   7.483  -1.569   1.539
   14    HA   LYS   3           HA       LYS   3   5.353  -3.040   2.673
   15    HB2  LYS   3           HB2      LYS   3   6.079  -0.124   2.809
   16    HB3  LYS   3           HB1      LYS   3   4.693  -0.800   3.658
   17    HG2  LYS   3           HG2      LYS   3   7.575  -1.604   4.037
   18    HG3  LYS   3           HG1      LYS   3   6.599  -0.633   5.142
   19    HD2  LYS   3           HD2      LYS   3   5.113  -2.501   5.530
   20    HD3  LYS   3           HD1      LYS   3   5.971  -3.473   4.338
   21    HE2  LYS   3           HE2      LYS   3   7.999  -3.337   5.719
   22    HE3  LYS   3           HE1      LYS   3   7.091  -2.428   6.927
   23    HZ1  LYS   3           HZ1      LYS   3   6.411  -5.177   6.029
   24    HZ2  LYS   3           HZ2      LYS   3   5.665  -4.305   7.276
   25    HZ3  LYS   3           HZ3      LYS   3   7.270  -4.809   7.442
   26    H    CYS   4           HN       CYS   4   5.529  -0.829  -0.018
   27    HA   CYS   4           HA       CYS   4   2.774  -0.400  -0.349
   28    HB2  CYS   4           HB2      CYS   4   4.532   0.813  -1.627
   29    HB3  CYS   4           HB1      CYS   4   4.876  -0.665  -2.514
   30    H    LYS   5           HN       LYS   5   4.922  -2.934  -1.552
   31    HA   LYS   5           HA       LYS   5   2.925  -4.400  -2.916
   32    HB2  LYS   5           HB2      LYS   5   5.712  -4.973  -2.001
   33    HB3  LYS   5           HB1      LYS   5   4.698  -6.312  -2.508
   34    HG2  LYS   5           HG2      LYS   5   6.073  -5.577  -4.337
   35    HG3  LYS   5           HG1      LYS   5   4.384  -5.234  -4.691
   36    HD2  LYS   5           HD2      LYS   5   4.732  -2.894  -4.061
   37    HD3  LYS   5           HD1      LYS   5   6.423  -3.244  -3.693
   38    HE2  LYS   5           HE2      LYS   5   6.221  -2.238  -5.899
   39    HE3  LYS   5           HE1      LYS   5   6.788  -3.901  -6.028
   40    HZ1  LYS   5           HZ1      LYS   5   4.478  -4.557  -6.524
   41    HZ2  LYS   5           HZ2      LYS   5   5.121  -3.505  -7.678
   42    HZ3  LYS   5           HZ3      LYS   5   4.029  -2.927  -6.526
   43    H    GLU   6           HN       GLU   6   4.413  -4.758   0.278
   44    HA   GLU   6           HA       GLU   6   3.114  -7.104   1.040
   45    HB2  GLU   6           HB2      GLU   6   4.217  -4.815   2.671
   46    HB3  GLU   6           HB1      GLU   6   3.571  -6.275   3.406
   47    HG2  GLU   6           HG2      GLU   6   5.259  -7.621   2.435
   48    HG3  GLU   6           HG1      GLU   6   5.790  -6.320   1.376
   49    H    LEU   7           HN       LEU   7   2.142  -3.719   1.487
   50    HA   LEU   7           HA       LEU   7  -0.226  -4.348   2.926
   51    HB2  LEU   7           HB2      LEU   7   0.556  -1.877   1.387
   52    HB3  LEU   7           HB1      LEU   7  -0.858  -1.995   2.414
   53    HG   LEU   7           HG       LEU   7   1.977  -2.349   3.396
   54   HD11  LEU   7          HD11      LEU   7   1.750  -0.115   4.351
   55   HD12  LEU   7          HD12      LEU   7   0.172   0.060   3.586
   56   HD13  LEU   7          HD13      LEU   7   1.624  -0.070   2.593
   57   HD21  LEU   7          HD21      LEU   7   0.280  -3.471   4.761
   58   HD22  LEU   7          HD22      LEU   7  -0.615  -1.958   4.889
   59   HD23  LEU   7          HD23      LEU   7   0.988  -2.097   5.608
   60    H    LYS   8           HN       LYS   8   0.463  -3.697  -0.491
   61    HA   LYS   8           HA       LYS   8  -2.288  -3.811  -1.259
   62    HB2  LYS   8           HB2      LYS   8   0.285  -3.807  -2.808
   63    HB3  LYS   8           HB1      LYS   8  -1.269  -4.001  -3.603
   64    HG2  LYS   8           HG2      LYS   8  -2.005  -1.860  -2.716
   65    HG3  LYS   8           HG1      LYS   8  -0.462  -1.662  -1.888
   66    HD2  LYS   8           HD2      LYS   8  -0.508  -0.376  -3.951
   67    HD3  LYS   8           HD1      LYS   8   0.687  -1.669  -4.050
   68    HE2  LYS   8           HE2      LYS   8  -0.643  -1.425  -6.115
   69    HE3  LYS   8           HE1      LYS   8  -0.809  -3.014  -5.374
   70    HZ1  LYS   8           HZ1      LYS   8  -2.919  -2.337  -4.443
   71    HZ2  LYS   8           HZ2      LYS   8  -2.935  -2.124  -6.117
   72    HZ3  LYS   8           HZ3      LYS   8  -2.755  -0.789  -5.100
   73    H    LYS   9           HN       LYS   9   0.046  -6.212  -0.613
   74    HA   LYS   9           HA       LYS   9  -1.391  -8.252  -2.098
   75    HB2  LYS   9           HB2      LYS   9   1.012  -8.376  -0.271
   76    HB3  LYS   9           HB1      LYS   9   0.284  -9.799  -1.005
   77    HG2  LYS   9           HG2      LYS   9   0.793  -8.970  -3.214
   78    HG3  LYS   9           HG1      LYS   9   1.411  -7.464  -2.537
   79    HD2  LYS   9           HD2      LYS   9   3.184  -8.694  -1.400
   80    HD3  LYS   9           HD1      LYS   9   2.557 -10.211  -2.047
   81    HE2  LYS   9           HE2      LYS   9   2.989  -9.418  -4.320
   82    HE3  LYS   9           HE1      LYS   9   3.603  -7.897  -3.675
   83    HZ1  LYS   9           HZ1      LYS   9   5.395  -9.079  -2.615
   84    HZ2  LYS   9           HZ2      LYS   9   5.375  -9.459  -4.263
   85    HZ3  LYS   9           HZ3      LYS   9   4.781 -10.565  -3.135
   86    H    ARG  10           HN       ARG  10  -0.834  -7.318   1.275
   87    HA   ARG  10           HA       ARG  10  -2.359  -9.441   2.383
   88    HB2  ARG  10           HB2      ARG  10  -1.573  -6.763   3.543
   89    HB3  ARG  10           HB1      ARG  10  -2.340  -8.052   4.460
   90    HG2  ARG  10           HG2      ARG  10  -0.446  -9.507   4.057
   91    HG3  ARG  10           HG1      ARG  10   0.315  -8.264   3.056
   92    HD2  ARG  10           HD2      ARG  10   0.329  -6.763   5.042
   93    HD3  ARG  10           HD1      ARG  10  -0.278  -8.105   6.013
   94    HE   ARG  10           HE       ARG  10   1.962  -9.119   4.851
   95   HH11  ARG  10          HH11      ARG  10   2.904  -6.192   7.431
   96   HH12  ARG  10          HH12      ARG  10   1.293  -6.284   6.794
   97   HH21  ARG  10          HH21      ARG  10   4.085  -8.992   5.694
   98   HH22  ARG  10          HH22      ARG  10   4.486  -7.727   6.809
   99    H    TYR  11           HN       TYR  11  -3.123  -6.074   1.594
  100    HA   TYR  11           HA       TYR  11  -5.903  -6.479   2.372
  101    HB2  TYR  11           HB2      TYR  11  -4.437  -4.041   1.359
  102    HB3  TYR  11           HB1      TYR  11  -6.143  -4.072   1.775
  103    HD1  TYR  11           HD1      TYR  11  -6.817  -4.527   4.143
  104    HD2  TYR  11           HD2      TYR  11  -2.783  -3.787   3.021
  105    HE1  TYR  11           HE1      TYR  11  -6.271  -3.992   6.478
  106    HE2  TYR  11           HE2      TYR  11  -2.226  -3.256   5.350
  107    HH   TYR  11           HH       TYR  11  -4.347  -3.917   7.950
  108    H    AIB  12           HN       AIB  12  -5.522  -8.175   0.442
  109   HB11  AIB  12          HB11      AIB  12  -6.597  -9.631  -2.634
  110   HB12  AIB  12          HB12      AIB  12  -6.832  -9.830  -0.900
  111   HB13  AIB  12          HB13      AIB  12  -5.204  -9.665  -1.555
  112   HB21  AIB  12          HB21      AIB  12  -5.406  -6.160  -2.451
  113   HB22  AIB  12          HB22      AIB  12  -5.877  -7.452  -3.554
  114   HB23  AIB  12          HB23      AIB  12  -4.455  -7.643  -2.530
  115    H    GLY  13           HN       GLY  13  -7.223  -5.669  -2.477
  116    HA2  GLY  13           HA2      GLY  13  -9.596  -5.769  -3.418
  117    HA3  GLY  13           HA1      GLY  13 -10.014  -6.290  -1.794
  118    H    CYS  14           HN       CYS  14  -7.840  -4.400  -0.782
  119    HA   CYS  14           HA       CYS  14  -9.613  -2.107  -0.572
  120    HB2  CYS  14           HB2      CYS  14  -6.981  -2.655   0.793
  121    HB3  CYS  14           HB1      CYS  14  -8.071  -1.327   1.160
  122    H    GLU  15           HN       GLU  15  -8.855   0.049  -0.835
  123    HA   GLU  15           HA       GLU  15  -7.029   0.364  -3.069
  124    HB2  GLU  15           HB2      GLU  15  -9.106   1.629  -3.119
  125    HB3  GLU  15           HB1      GLU  15  -8.750   2.337  -1.551
  126    HG2  GLU  15           HG2      GLU  15  -8.310   3.966  -3.228
  127    HG3  GLU  15           HG1      GLU  15  -6.767   3.436  -2.562
  128    H    VAL  16           HN       VAL  16  -5.011  -0.051  -2.221
  129    HA   VAL  16           HA       VAL  16  -4.131   1.522   0.072
  130    HB   VAL  16           HB       VAL  16  -2.568  -0.522  -1.509
  131   HG11  VAL  16          HG11      VAL  16  -1.121   1.051  -0.391
  132   HG12  VAL  16          HG12      VAL  16  -1.063  -0.496   0.457
  133   HG13  VAL  16          HG13      VAL  16  -2.003   0.840   1.120
  134   HG21  VAL  16          HG21      VAL  16  -2.950  -2.009   0.434
  135   HG22  VAL  16          HG22      VAL  16  -4.431  -1.613  -0.435
  136   HG23  VAL  16          HG23      VAL  16  -4.065  -0.812   1.091
  137    H    ARG  17           HN       ARG  17  -3.688   3.548  -0.465
  138    HA   ARG  17           HA       ARG  17  -2.447   4.168  -3.011
  139    HB2  ARG  17           HB2      ARG  17  -4.244   5.613  -2.115
  140    HB3  ARG  17           HB1      ARG  17  -3.216   6.004  -0.744
  141    HG2  ARG  17           HG2      ARG  17  -1.558   6.960  -2.320
  142    HG3  ARG  17           HG1      ARG  17  -2.707   6.680  -3.630
  143    HD2  ARG  17           HD2      ARG  17  -3.203   8.386  -1.197
  144    HD3  ARG  17           HD1      ARG  17  -2.782   8.992  -2.798
  145    HE   ARG  17           HE       ARG  17  -4.942   7.777  -3.487
  146   HH11  ARG  17          HH11      ARG  17  -4.437   9.278  -0.357
  147   HH12  ARG  17          HH12      ARG  17  -6.111   9.709  -0.164
  148   HH21  ARG  17          HH21      ARG  17  -7.135   8.345  -3.231
  149   HH22  ARG  17          HH22      ARG  17  -7.644   9.187  -1.804
  150    H    CYS  18           HN       CYS  18  -0.349   3.867  -3.180
  151    HA   CYS  18           HA       CYS  18   1.385   4.238  -0.883
  152    HB2  CYS  18           HB2      CYS  18   2.036   3.348  -3.702
  153    HB3  CYS  18           HB1      CYS  18   3.145   3.329  -2.336
  154    H    ASP  19           HN       ASP  19   2.285   6.145  -0.483
  155    HA   ASP  19           HA       ASP  19   3.021   7.875  -2.733
  156    HB2  ASP  19           HB2      ASP  19   0.841   8.645  -1.787
  157    HB3  ASP  19           HB1      ASP  19   1.636   8.861  -0.232
  158    HA   DPR  20           HA       DPR  20   6.798   8.689  -0.604
  159    HB2  DPR  20           HB2      DPR  20   8.409   7.618  -1.782
  160    HB3  DPR  20           HB1      DPR  20   7.766   6.024  -1.382
  161    HG2  DPR  20           HG2      DPR  20   6.992   7.883  -3.583
  162    HG3  DPR  20           HG1      DPR  20   7.145   6.118  -3.610
  163    HD2  DPR  20           HD2      DPR  20   4.754   7.321  -3.477
  164    HD3  DPR  20           HD1      DPR  20   5.071   5.801  -2.618
  165    HA   PRO  21           HA       PRO  21   7.179   6.094   3.050
  166    HB2  PRO  21           HB2      PRO  21   7.411   8.073   4.824
  167    HB3  PRO  21           HB1      PRO  21   8.724   7.702   3.699
  168    HG2  PRO  21           HG2      PRO  21   6.686   9.883   3.577
  169    HG3  PRO  21           HG1      PRO  21   8.415   9.948   3.201
  170    HD2  PRO  21           HD2      PRO  21   6.396   9.695   1.323
  171    HD3  PRO  21           HD1      PRO  21   8.085   9.222   1.066
  172    H    ARG  22           HN       ARG  22   4.581   7.682   1.884
  173    HA   ARG  22           HA       ARG  22   3.012   7.267   4.344
  174    HB2  ARG  22           HB2      ARG  22   2.408   9.035   1.969
  175    HB3  ARG  22           HB1      ARG  22   1.338   8.794   3.343
  176    HG2  ARG  22           HG2      ARG  22   3.031   9.764   4.822
  177    HG3  ARG  22           HG1      ARG  22   4.083  10.028   3.432
  178    HD2  ARG  22           HD2      ARG  22   1.335  11.218   3.791
  179    HD3  ARG  22           HD1      ARG  22   2.849  12.058   4.103
  180    HE   ARG  22           HE       ARG  22   2.570  10.995   1.421
  181   HH11  ARG  22          HH11      ARG  22   2.146  13.761   3.526
  182   HH12  ARG  22          HH12      ARG  22   2.059  14.896   2.221
  183   HH21  ARG  22          HH21      ARG  22   2.252  14.168   0.048
  184   HH22  ARG  22          HH22      ARG  22   2.477  12.473  -0.288
  185    H    TYR  23           HN       TYR  23   1.396   5.823   4.321
  186    HA   TYR  23           HA       TYR  23   0.534   4.749   1.727
  187    HB2  TYR  23           HB2      TYR  23   0.992   3.089   4.211
  188    HB3  TYR  23           HB1      TYR  23   0.451   2.507   2.644
  189    HD1  TYR  23           HD1      TYR  23   3.300   3.379   4.679
  190    HD2  TYR  23           HD2      TYR  23   2.019   2.579   0.704
  191    HE1  TYR  23           HE1      TYR  23   5.633   2.994   4.014
  192    HE2  TYR  23           HE2      TYR  23   4.346   2.192   0.028
  193    HH   TYR  23           HH       TYR  23   6.874   1.783   2.244
  194    H    GLU  24           HN       GLU  24  -1.588   4.851   1.468
  195    HA   GLU  24           HA       GLU  24  -3.234   5.248   3.882
  196    HB2  GLU  24           HB2      GLU  24  -3.745   6.334   1.106
  197    HB3  GLU  24           HB1      GLU  24  -4.727   6.629   2.532
  198    HG2  GLU  24           HG2      GLU  24  -2.845   7.788   3.584
  199    HG3  GLU  24           HG1      GLU  24  -1.875   7.509   2.140
  200    H    VAL  25           HN       VAL  25  -4.137   3.338   4.284
  201    HA   VAL  25           HA       VAL  25  -5.049   1.649   2.094
  202    HB   VAL  25           HB       VAL  25  -5.037   1.162   5.082
  203   HG11  VAL  25          HG11      VAL  25  -5.548  -1.178   4.507
  204   HG12  VAL  25          HG12      VAL  25  -5.733  -0.709   2.818
  205   HG13  VAL  25          HG13      VAL  25  -6.843  -0.078   4.032
  206   HG21  VAL  25          HG21      VAL  25  -3.224  -0.422   4.572
  207   HG22  VAL  25          HG22      VAL  25  -2.798   1.233   4.134
  208   HG23  VAL  25          HG23      VAL  25  -3.272   0.085   2.885
  209    H    HIS  26           HN       HIS  26  -6.990   2.005   1.288
  210    HA   HIS  26           HA       HIS  26  -9.141   2.867   3.107
  211    HB2  HIS  26           HB2      HIS  26  -8.455   4.573   1.427
  212    HB3  HIS  26           HB1      HIS  26  -8.880   3.447   0.152
  213    HD1  HIS  26           HD1      HIS  26 -10.368   5.803   2.620
  214    HD2  HIS  26           HD2      HIS  26 -11.648   3.081  -0.242
  215    HE1  HIS  26           HE1      HIS  26 -12.801   6.296   2.263
  216    HE2  HIS  26           HE2      HIS  26 -13.587   4.537   0.643
  217    H    CYS  27           HN       CYS  27 -10.050   0.930   3.590
  218    HA   CYS  27           HA       CYS  27 -10.720  -0.923   1.447
  219    HB2  CYS  27           HB2      CYS  27 -11.101  -1.131   4.439
  220    HB3  CYS  27           HB1      CYS  27 -11.445  -2.406   3.279
  221    HN1  NH2  28           HN1      NH2  28 -12.286   0.292   0.390
  222    HN2  NH2  28           HN2      NH2  28 -13.861   0.557   1.052
  Start of MODEL    2
    1    H1   ASN   1           HT1      ASN   1  10.403   0.158  -1.851
    2    H2   ASN   1           HT2      ASN   1  10.664   1.657  -2.586
    3    H3   ASN   1           HT3      ASN   1  10.303   0.304  -3.534
    4    HA   ASN   1           HA       ASN   1   8.485   1.526  -1.544
    5    HB2  ASN   1           HB2      ASN   1   8.450   1.667  -4.568
    6    HB3  ASN   1           HB1      ASN   1   7.170   2.260  -3.518
    7   HD21  ASN   1          HD21      ASN   1   7.419   4.340  -4.364
    8   HD22  ASN   1          HD22      ASN   1   8.753   5.345  -3.917
    9    H    ASP   2           HN       ASP   2   9.455  -1.316  -2.429
   10    HA   ASP   2           HA       ASP   2   7.302  -2.632  -3.675
   11    HB2  ASP   2           HB2      ASP   2   9.569  -3.576  -3.527
   12    HB3  ASP   2           HB1      ASP   2   9.377  -3.765  -1.790
   13    H    LYS   3           HN       LYS   3   7.672  -1.520  -0.441
   14    HA   LYS   3           HA       LYS   3   5.959  -3.276   0.912
   15    HB2  LYS   3           HB2      LYS   3   6.618  -0.381   1.403
   16    HB3  LYS   3           HB1      LYS   3   5.564  -1.299   2.463
   17    HG2  LYS   3           HG2      LYS   3   8.446  -1.942   1.862
   18    HG3  LYS   3           HG1      LYS   3   7.828  -1.205   3.339
   19    HD2  LYS   3           HD2      LYS   3   6.534  -3.194   3.826
   20    HD3  LYS   3           HD1      LYS   3   7.053  -3.930   2.310
   21    HE2  LYS   3           HE2      LYS   3   9.420  -3.705   3.158
   22    HE3  LYS   3           HE1      LYS   3   8.723  -3.293   4.725
   23    HZ1  LYS   3           HZ1      LYS   3   7.635  -5.414   4.803
   24    HZ2  LYS   3           HZ2      LYS   3   9.274  -5.672   4.485
   25    HZ3  LYS   3           HZ3      LYS   3   8.140  -5.794   3.232
   26    H    CYS   4           HN       CYS   4   5.302  -0.823  -1.395
   27    HA   CYS   4           HA       CYS   4   2.614  -0.279  -0.755
   28    HB2  CYS   4           HB2      CYS   4   3.958   1.044  -2.366
   29    HB3  CYS   4           HB1      CYS   4   3.942  -0.317  -3.477
   30    H    LYS   5           HN       LYS   5   4.140  -2.791  -2.717
   31    HA   LYS   5           HA       LYS   5   1.612  -3.928  -3.487
   32    HB2  LYS   5           HB2      LYS   5   4.449  -4.878  -3.865
   33    HB3  LYS   5           HB1      LYS   5   3.051  -5.787  -4.419
   34    HG2  LYS   5           HG2      LYS   5   2.400  -3.759  -5.758
   35    HG3  LYS   5           HG1      LYS   5   3.973  -3.085  -5.348
   36    HD2  LYS   5           HD2      LYS   5   3.458  -5.651  -6.842
   37    HD3  LYS   5           HD1      LYS   5   4.050  -4.139  -7.531
   38    HE2  LYS   5           HE2      LYS   5   5.474  -5.781  -5.443
   39    HE3  LYS   5           HE1      LYS   5   5.841  -5.789  -7.166
   40    HZ1  LYS   5           HZ1      LYS   5   6.555  -3.552  -7.066
   41    HZ2  LYS   5           HZ2      LYS   5   7.293  -4.347  -5.766
   42    HZ3  LYS   5           HZ3      LYS   5   5.960  -3.343  -5.498
   43    H    GLU   6           HN       GLU   6   4.106  -4.579  -1.089
   44    HA   GLU   6           HA       GLU   6   3.040  -7.070  -0.245
   45    HB2  GLU   6           HB2      GLU   6   4.691  -5.078   1.324
   46    HB3  GLU   6           HB1      GLU   6   4.365  -6.734   1.816
   47    HG2  GLU   6           HG2      GLU   6   5.466  -7.443  -0.356
   48    HG3  GLU   6           HG1      GLU   6   6.023  -5.778  -0.498
   49    H    LEU   7           HN       LEU   7   2.490  -3.735   0.819
   50    HA   LEU   7           HA       LEU   7   0.647  -4.412   2.862
   51    HB2  LEU   7           HB2      LEU   7   1.061  -1.871   1.304
   52    HB3  LEU   7           HB1      LEU   7  -0.102  -2.017   2.603
   53    HG   LEU   7           HG       LEU   7   2.883  -2.390   2.890
   54   HD11  LEU   7          HD11      LEU   7   2.808  -0.272   4.122
   55   HD12  LEU   7          HD12      LEU   7   1.099  -0.105   3.723
   56   HD13  LEU   7          HD13      LEU   7   2.312  -0.069   2.442
   57   HD21  LEU   7          HD21      LEU   7   1.724  -3.735   4.514
   58   HD22  LEU   7          HD22      LEU   7   0.657  -2.393   4.926
   59   HD23  LEU   7          HD23      LEU   7   2.372  -2.309   5.324
   60    H    LYS   8           HN       LYS   8   0.316  -3.646  -0.567
   61    HA   LYS   8           HA       LYS   8  -2.474  -3.673  -0.715
   62    HB2  LYS   8           HB2      LYS   8  -0.651  -3.160  -2.523
   63    HB3  LYS   8           HB1      LYS   8  -0.777  -4.873  -2.880
   64    HG2  LYS   8           HG2      LYS   8  -3.077  -2.936  -2.945
   65    HG3  LYS   8           HG1      LYS   8  -2.151  -3.449  -4.352
   66    HD2  LYS   8           HD2      LYS   8  -2.849  -5.764  -3.964
   67    HD3  LYS   8           HD1      LYS   8  -3.768  -5.248  -2.550
   68    HE2  LYS   8           HE2      LYS   8  -4.256  -4.432  -5.410
   69    HE3  LYS   8           HE1      LYS   8  -5.247  -5.521  -4.444
   70    HZ1  LYS   8           HZ1      LYS   8  -5.741  -3.679  -2.949
   71    HZ2  LYS   8           HZ2      LYS   8  -6.218  -3.315  -4.533
   72    HZ3  LYS   8           HZ3      LYS   8  -4.803  -2.641  -3.898
   73    H    LYS   9           HN       LYS   9  -0.129  -6.311  -0.949
   74    HA   LYS   9           HA       LYS   9  -1.957  -8.398  -1.404
   75    HB2  LYS   9           HB2      LYS   9   0.421  -8.652  -1.833
   76    HB3  LYS   9           HB1      LYS   9   0.785  -8.416  -0.131
   77    HG2  LYS   9           HG2      LYS   9   0.958 -10.746  -0.698
   78    HG3  LYS   9           HG1      LYS   9  -0.404 -10.498   0.393
   79    HD2  LYS   9           HD2      LYS   9  -1.960 -10.647  -1.440
   80    HD3  LYS   9           HD1      LYS   9  -0.635 -10.732  -2.604
   81    HE2  LYS   9           HE2      LYS   9  -1.542 -12.944  -2.218
   82    HE3  LYS   9           HE1      LYS   9   0.098 -12.846  -1.586
   83    HZ1  LYS   9           HZ1      LYS   9  -1.338 -13.988  -0.045
   84    HZ2  LYS   9           HZ2      LYS   9  -2.399 -12.678   0.009
   85    HZ3  LYS   9           HZ3      LYS   9  -0.837 -12.524   0.636
   86    H    ARG  10           HN       ARG  10  -0.666  -6.989   1.556
   87    HA   ARG  10           HA       ARG  10  -1.834  -8.838   3.350
   88    HB2  ARG  10           HB2      ARG  10   0.007  -7.281   3.942
   89    HB3  ARG  10           HB1      ARG  10  -1.125  -5.941   3.834
   90    HG2  ARG  10           HG2      ARG  10  -2.430  -6.869   5.658
   91    HG3  ARG  10           HG1      ARG  10  -1.320  -8.241   5.764
   92    HD2  ARG  10           HD2      ARG  10  -0.628  -5.340   6.222
   93    HD3  ARG  10           HD1      ARG  10  -0.825  -6.570   7.469
   94    HE   ARG  10           HE       ARG  10   1.210  -7.047   5.426
   95   HH11  ARG  10          HH11      ARG  10   2.052  -6.296   9.281
   96   HH12  ARG  10          HH12      ARG  10   0.432  -6.090   8.700
   97   HH21  ARG  10          HH21      ARG  10   3.351  -7.320   6.199
   98   HH22  ARG  10          HH22      ARG  10   3.706  -6.999   7.866
   99    H    TYR  11           HN       TYR  11  -2.924  -5.761   2.023
  100    HA   TYR  11           HA       TYR  11  -5.470  -5.987   3.435
  101    HB2  TYR  11           HB2      TYR  11  -4.203  -3.771   1.831
  102    HB3  TYR  11           HB1      TYR  11  -5.849  -3.694   2.443
  103    HD1  TYR  11           HD1      TYR  11  -6.215  -3.777   4.952
  104    HD2  TYR  11           HD2      TYR  11  -2.375  -3.271   3.199
  105    HE1  TYR  11           HE1      TYR  11  -5.352  -2.933   7.091
  106    HE2  TYR  11           HE2      TYR  11  -1.509  -2.426   5.329
  107    HH   TYR  11           HH       TYR  11  -3.162  -2.758   8.246
  108    H    AIB  12           HN       AIB  12  -5.132  -7.934   1.521
  109   HB11  AIB  12          HB11      AIB  12  -6.905  -9.826  -0.956
  110   HB12  AIB  12          HB12      AIB  12  -6.680  -9.803   0.792
  111   HB13  AIB  12          HB13      AIB  12  -5.284  -9.689  -0.280
  112   HB21  AIB  12          HB21      AIB  12  -6.398  -7.851  -2.291
  113   HB22  AIB  12          HB22      AIB  12  -4.819  -7.687  -1.525
  114   HB23  AIB  12          HB23      AIB  12  -5.946  -6.331  -1.517
  115    H    GLY  13           HN       GLY  13  -7.894  -6.601  -1.811
  116    HA2  GLY  13           HA2      GLY  13 -10.332  -6.684  -1.867
  117    HA3  GLY  13           HA1      GLY  13 -10.296  -6.759  -0.112
  118    H    CYS  14           HN       CYS  14  -8.111  -4.772  -0.016
  119    HA   CYS  14           HA       CYS  14  -9.724  -2.375  -0.552
  120    HB2  CYS  14           HB2      CYS  14  -7.449  -2.713   1.407
  121    HB3  CYS  14           HB1      CYS  14  -8.468  -1.292   1.225
  122    H    GLU  15           HN       GLU  15  -8.545  -0.463  -1.211
  123    HA   GLU  15           HA       GLU  15  -6.276  -1.155  -2.933
  124    HB2  GLU  15           HB2      GLU  15  -8.087   1.263  -2.925
  125    HB3  GLU  15           HB1      GLU  15  -6.746   1.014  -4.038
  126    HG2  GLU  15           HG2      GLU  15  -9.175  -0.752  -3.803
  127    HG3  GLU  15           HG1      GLU  15  -8.903   0.462  -5.050
  128    H    VAL  16           HN       VAL  16  -4.302  -0.521  -2.407
  129    HA   VAL  16           HA       VAL  16  -4.039   1.247  -0.081
  130    HB   VAL  16           HB       VAL  16  -2.056  -0.747  -1.192
  131   HG11  VAL  16          HG11      VAL  16  -1.954   0.931   1.316
  132   HG12  VAL  16          HG12      VAL  16  -0.953   1.152  -0.122
  133   HG13  VAL  16          HG13      VAL  16  -0.782  -0.306   0.857
  134   HG21  VAL  16          HG21      VAL  16  -3.828  -0.844   1.248
  135   HG22  VAL  16          HG22      VAL  16  -2.552  -2.003   0.884
  136   HG23  VAL  16          HG23      VAL  16  -3.949  -1.866  -0.183
  137    H    ARG  17           HN       ARG  17  -3.364   3.207  -0.407
  138    HA   ARG  17           HA       ARG  17  -2.074   3.895  -2.937
  139    HB2  ARG  17           HB2      ARG  17  -4.079   5.168  -2.337
  140    HB3  ARG  17           HB1      ARG  17  -3.334   5.643  -0.820
  141    HG2  ARG  17           HG2      ARG  17  -3.251   7.448  -2.440
  142    HG3  ARG  17           HG1      ARG  17  -1.630   6.888  -2.030
  143    HD2  ARG  17           HD2      ARG  17  -1.570   5.564  -4.083
  144    HD3  ARG  17           HD1      ARG  17  -3.188   6.124  -4.496
  145    HE   ARG  17           HE       ARG  17  -2.166   8.419  -4.536
  146   HH11  ARG  17          HH11      ARG  17  -0.228   5.561  -5.142
  147   HH12  ARG  17          HH12      ARG  17   0.940   6.407  -6.100
  148   HH21  ARG  17          HH21      ARG  17  -0.645   9.522  -5.818
  149   HH22  ARG  17          HH22      ARG  17   0.699   8.657  -6.496
  150    H    CYS  18           HN       CYS  18   0.062   3.852  -2.894
  151    HA   CYS  18           HA       CYS  18   1.451   4.461  -0.415
  152    HB2  CYS  18           HB2      CYS  18   3.469   3.744  -1.886
  153    HB3  CYS  18           HB1      CYS  18   2.348   2.523  -1.298
  154    H    ASP  19           HN       ASP  19   2.311   6.351  -0.036
  155    HA   ASP  19           HA       ASP  19   3.072   8.083  -2.285
  156    HB2  ASP  19           HB2      ASP  19   0.949   8.882  -1.303
  157    HB3  ASP  19           HB1      ASP  19   1.714   8.951   0.279
  158    HA   DPR  20           HA       DPR  20   6.921   8.767  -0.166
  159    HB2  DPR  20           HB2      DPR  20   8.494   7.795  -1.467
  160    HB3  DPR  20           HB1      DPR  20   7.838   6.175  -1.209
  161    HG2  DPR  20           HG2      DPR  20   7.070   8.237  -3.220
  162    HG3  DPR  20           HG1      DPR  20   7.176   6.478  -3.403
  163    HD2  DPR  20           HD2      DPR  20   4.819   7.742  -3.124
  164    HD3  DPR  20           HD1      DPR  20   5.100   6.132  -2.436
  165    HA   PRO  21           HA       PRO  21   7.313   5.803   3.208
  166    HB2  PRO  21           HB2      PRO  21   7.640   7.590   5.161
  167    HB3  PRO  21           HB1      PRO  21   8.923   7.288   3.983
  168    HG2  PRO  21           HG2      PRO  21   6.944   9.530   4.091
  169    HG3  PRO  21           HG1      PRO  21   8.678   9.588   3.730
  170    HD2  PRO  21           HD2      PRO  21   6.691   9.591   1.819
  171    HD3  PRO  21           HD1      PRO  21   8.353   9.041   1.534
  172    H    ARG  22           HN       ARG  22   4.792   7.714   2.290
  173    HA   ARG  22           HA       ARG  22   3.232   7.183   4.730
  174    HB2  ARG  22           HB2      ARG  22   2.587   9.053   2.446
  175    HB3  ARG  22           HB1      ARG  22   1.662   8.871   3.931
  176    HG2  ARG  22           HG2      ARG  22   3.629   9.674   5.202
  177    HG3  ARG  22           HG1      ARG  22   4.457   9.966   3.673
  178    HD2  ARG  22           HD2      ARG  22   1.890  11.250   4.598
  179    HD3  ARG  22           HD1      ARG  22   3.472  12.018   4.531
  180    HE   ARG  22           HE       ARG  22   2.908  11.124   1.959
  181   HH11  ARG  22          HH11      ARG  22   1.573  13.399   4.265
  182   HH12  ARG  22          HH12      ARG  22   0.896  14.427   3.042
  183   HH21  ARG  22          HH21      ARG  22   1.153  13.904   0.825
  184   HH22  ARG  22          HH22      ARG  22   2.027  12.468   0.359
  185    H    TYR  23           HN       TYR  23   1.290   6.073   4.596
  186    HA   TYR  23           HA       TYR  23   0.564   4.968   1.985
  187    HB2  TYR  23           HB2      TYR  23   0.966   3.343   4.500
  188    HB3  TYR  23           HB1      TYR  23   0.270   2.730   3.007
  189    HD1  TYR  23           HD1      TYR  23   3.309   3.540   4.776
  190    HD2  TYR  23           HD2      TYR  23   1.695   2.568   0.965
  191    HE1  TYR  23           HE1      TYR  23   5.559   2.983   3.969
  192    HE2  TYR  23           HE2      TYR  23   3.941   2.003   0.149
  193    HH   TYR  23           HH       TYR  23   6.551   1.499   2.154
  194    H    GLU  24           HN       GLU  24  -1.578   4.724   1.659
  195    HA   GLU  24           HA       GLU  24  -3.369   5.185   3.955
  196    HB2  GLU  24           HB2      GLU  24  -3.775   6.205   1.132
  197    HB3  GLU  24           HB1      GLU  24  -4.879   6.432   2.478
  198    HG2  GLU  24           HG2      GLU  24  -3.142   7.743   3.641
  199    HG3  GLU  24           HG1      GLU  24  -2.099   7.565   2.231
  200    H    VAL  25           HN       VAL  25  -5.147   3.864   4.071
  201    HA   VAL  25           HA       VAL  25  -5.307   1.787   1.987
  202    HB   VAL  25           HB       VAL  25  -5.992   1.556   4.924
  203   HG11  VAL  25          HG11      VAL  25  -6.102  -0.523   2.741
  204   HG12  VAL  25          HG12      VAL  25  -7.491   0.210   3.543
  205   HG13  VAL  25          HG13      VAL  25  -6.384  -0.816   4.457
  206   HG21  VAL  25          HG21      VAL  25  -3.750   0.357   3.301
  207   HG22  VAL  25          HG22      VAL  25  -4.110  -0.041   4.980
  208   HG23  VAL  25          HG23      VAL  25  -3.597   1.591   4.549
  209    H    HIS  26           HN       HIS  26  -7.046   1.970   0.755
  210    HA   HIS  26           HA       HIS  26  -9.449   3.210   1.914
  211    HB2  HIS  26           HB2      HIS  26  -8.338   4.444   0.029
  212    HB3  HIS  26           HB1      HIS  26  -8.684   3.065  -1.004
  213    HD1  HIS  26           HD1      HIS  26 -10.885   3.073  -2.167
  214    HD2  HIS  26           HD2      HIS  26 -10.781   5.757   1.003
  215    HE1  HIS  26           HE1      HIS  26 -13.037   4.355  -2.298
  216    HE2  HIS  26           HE2      HIS  26 -12.911   6.040  -0.432
  217    H    CYS  27           HN       CYS  27 -10.731   1.598   2.552
  218    HA   CYS  27           HA       CYS  27 -11.095  -0.721   0.813
  219    HB2  CYS  27           HB2      CYS  27 -12.107  -0.208   3.615
  220    HB3  CYS  27           HB1      CYS  27 -12.266  -1.714   2.722
  221    HN1  NH2  28           HN1      NH2  28 -12.394   0.015  -0.796
  222    HN2  NH2  28           HN2      NH2  28 -13.992   0.631  -0.550
  Start of MODEL    3
    1    H1   ASN   1           HT1      ASN   1  10.232  -7.455   2.029
    2    H2   ASN   1           HT2      ASN   1   8.948  -7.065   3.055
    3    H3   ASN   1           HT3      ASN   1  10.373  -7.719   3.693
    4    HA   ASN   1           HA       ASN   1  10.371  -5.409   4.157
    5    HB2  ASN   1           HB2      ASN   1  12.210  -6.057   1.842
    6    HB3  ASN   1           HB1      ASN   1  12.409  -4.693   2.935
    7   HD21  ASN   1          HD21      ASN   1  13.240  -5.019   4.954
    8   HD22  ASN   1          HD22      ASN   1  13.885  -6.538   5.470
    9    H    ASP   2           HN       ASP   2   9.332  -6.196   0.946
   10    HA   ASP   2           HA       ASP   2   9.049  -3.525  -0.006
   11    HB2  ASP   2           HB2      ASP   2   7.823  -6.144  -0.864
   12    HB3  ASP   2           HB1      ASP   2   7.399  -4.620  -1.626
   13    H    LYS   3           HN       LYS   3   7.991  -2.271   1.445
   14    HA   LYS   3           HA       LYS   3   5.802  -3.067   3.005
   15    HB2  LYS   3           HB2      LYS   3   6.797  -0.329   2.227
   16    HB3  LYS   3           HB1      LYS   3   5.454  -0.576   3.331
   17    HG2  LYS   3           HG2      LYS   3   6.949  -1.836   4.828
   18    HG3  LYS   3           HG1      LYS   3   8.292  -1.501   3.737
   19    HD2  LYS   3           HD2      LYS   3   8.031   0.883   4.092
   20    HD3  LYS   3           HD1      LYS   3   6.614   0.601   5.104
   21    HE2  LYS   3           HE2      LYS   3   8.539   1.039   6.498
   22    HE3  LYS   3           HE1      LYS   3   8.031  -0.638   6.695
   23    HZ1  LYS   3           HZ1      LYS   3  10.256   0.259   4.946
   24    HZ2  LYS   3           HZ2      LYS   3   9.812  -1.339   5.264
   25    HZ3  LYS   3           HZ3      LYS   3  10.449  -0.379   6.499
   26    H    CYS   4           HN       CYS   4   5.909  -1.156   0.011
   27    HA   CYS   4           HA       CYS   4   3.141  -0.650  -0.090
   28    HB2  CYS   4           HB2      CYS   4   4.742   0.676  -1.378
   29    HB3  CYS   4           HB1      CYS   4   5.170  -0.738  -2.331
   30    H    LYS   5           HN       LYS   5   5.135  -3.203  -1.505
   31    HA   LYS   5           HA       LYS   5   3.039  -4.336  -3.043
   32    HB2  LYS   5           HB2      LYS   5   5.615  -5.597  -2.097
   33    HB3  LYS   5           HB1      LYS   5   4.566  -6.234  -3.357
   34    HG2  LYS   5           HG2      LYS   5   5.984  -3.580  -3.472
   35    HG3  LYS   5           HG1      LYS   5   6.544  -5.064  -4.239
   36    HD2  LYS   5           HD2      LYS   5   4.492  -5.134  -5.583
   37    HD3  LYS   5           HD1      LYS   5   3.948  -3.639  -4.821
   38    HE2  LYS   5           HE2      LYS   5   4.915  -3.183  -7.002
   39    HE3  LYS   5           HE1      LYS   5   5.899  -2.472  -5.724
   40    HZ1  LYS   5           HZ1      LYS   5   6.468  -5.010  -7.155
   41    HZ2  LYS   5           HZ2      LYS   5   7.405  -4.368  -5.903
   42    HZ3  LYS   5           HZ3      LYS   5   7.279  -3.542  -7.373
   43    H    GLU   6           HN       GLU   6   4.414  -5.104   0.123
   44    HA   GLU   6           HA       GLU   6   2.846  -7.416   0.557
   45    HB2  GLU   6           HB2      GLU   6   4.342  -5.581   2.419
   46    HB3  GLU   6           HB1      GLU   6   3.436  -6.968   3.006
   47    HG2  GLU   6           HG2      GLU   6   4.815  -8.476   1.749
   48    HG3  GLU   6           HG1      GLU   6   5.645  -7.133   0.968
   49    H    LEU   7           HN       LEU   7   2.375  -4.001   1.392
   50    HA   LEU   7           HA       LEU   7  -0.035  -4.386   2.822
   51    HB2  LEU   7           HB2      LEU   7   0.990  -1.998   1.292
   52    HB3  LEU   7           HB1      LEU   7  -0.443  -1.974   2.299
   53    HG   LEU   7           HG       LEU   7   2.340  -2.582   3.310
   54   HD11  LEU   7          HD11      LEU   7   2.175  -0.270   2.541
   55   HD12  LEU   7          HD12      LEU   7   2.266  -0.347   4.300
   56   HD13  LEU   7          HD13      LEU   7   0.719  -0.044   3.512
   57   HD21  LEU   7          HD21      LEU   7   1.345  -2.270   5.519
   58   HD22  LEU   7          HD22      LEU   7   0.565  -3.592   4.653
   59   HD23  LEU   7          HD23      LEU   7  -0.236  -2.025   4.778
   60    H    LYS   8           HN       LYS   8   0.664  -3.727  -0.573
   61    HA   LYS   8           HA       LYS   8  -1.978  -3.467  -1.471
   62    HB2  LYS   8           HB2      LYS   8   0.603  -4.197  -2.804
   63    HB3  LYS   8           HB1      LYS   8  -0.901  -4.293  -3.702
   64    HG2  LYS   8           HG2      LYS   8  -0.094  -1.793  -2.258
   65    HG3  LYS   8           HG1      LYS   8   0.475  -2.151  -3.889
   66    HD2  LYS   8           HD2      LYS   8  -2.434  -2.092  -3.111
   67    HD3  LYS   8           HD1      LYS   8  -1.572  -0.703  -3.769
   68    HE2  LYS   8           HE2      LYS   8  -1.085  -1.936  -5.797
   69    HE3  LYS   8           HE1      LYS   8  -1.852  -3.376  -5.135
   70    HZ1  LYS   8           HZ1      LYS   8  -3.953  -2.217  -5.097
   71    HZ2  LYS   8           HZ2      LYS   8  -3.306  -2.182  -6.658
   72    HZ3  LYS   8           HZ3      LYS   8  -3.228  -0.807  -5.679
   73    H    LYS   9           HN       LYS   9   0.071  -6.325  -1.116
   74    HA   LYS   9           HA       LYS   9  -1.871  -8.086  -2.284
   75    HB2  LYS   9           HB2      LYS   9   0.591  -8.665  -0.624
   76    HB3  LYS   9           HB1      LYS   9  -0.368  -9.885  -1.455
   77    HG2  LYS   9           HG2      LYS   9   0.190  -8.951  -3.592
   78    HG3  LYS   9           HG1      LYS   9   1.017  -7.593  -2.828
   79    HD2  LYS   9           HD2      LYS   9   2.612  -9.199  -1.818
   80    HD3  LYS   9           HD1      LYS   9   1.821 -10.496  -2.718
   81    HE2  LYS   9           HE2      LYS   9   2.362  -9.362  -4.819
   82    HE3  LYS   9           HE1      LYS   9   3.156  -8.074  -3.917
   83    HZ1  LYS   9           HZ1      LYS   9   3.984 -10.920  -4.014
   84    HZ2  LYS   9           HZ2      LYS   9   4.714  -9.738  -3.054
   85    HZ3  LYS   9           HZ3      LYS   9   4.777  -9.615  -4.737
   86    H    ARG  10           HN       ARG  10  -1.018  -7.086   0.961
   87    HA   ARG  10           HA       ARG  10  -2.493  -9.037   2.371
   88    HB2  ARG  10           HB2      ARG  10  -0.712  -7.493   3.283
   89    HB3  ARG  10           HB1      ARG  10  -1.919  -6.220   3.278
   90    HG2  ARG  10           HG2      ARG  10  -3.293  -7.510   4.830
   91    HG3  ARG  10           HG1      ARG  10  -2.069  -8.787   4.842
   92    HD2  ARG  10           HD2      ARG  10  -1.859  -5.976   5.891
   93    HD3  ARG  10           HD1      ARG  10  -1.647  -7.492   6.767
   94    HE   ARG  10           HE       ARG  10   0.318  -7.608   4.926
   95   HH11  ARG  10          HH11      ARG  10   0.976  -4.487   7.367
   96   HH12  ARG  10          HH12      ARG  10  -0.605  -5.194   7.286
   97   HH21  ARG  10          HH21      ARG  10   2.398  -6.701   5.049
   98   HH22  ARG  10          HH22      ARG  10   2.694  -5.358   6.107
   99    H    TYR  11           HN       TYR  11  -3.292  -5.762   1.289
  100    HA   TYR  11           HA       TYR  11  -6.056  -6.160   2.195
  101    HB2  TYR  11           HB2      TYR  11  -4.651  -3.639   1.308
  102    HB3  TYR  11           HB1      TYR  11  -6.290  -3.739   1.930
  103    HD1  TYR  11           HD1      TYR  11  -6.666  -4.347   4.319
  104    HD2  TYR  11           HD2      TYR  11  -2.782  -3.576   2.771
  105    HE1  TYR  11           HE1      TYR  11  -5.822  -4.060   6.602
  106    HE2  TYR  11           HE2      TYR  11  -1.923  -3.285   5.058
  107    HH   TYR  11           HH       TYR  11  -3.752  -4.163   7.832
  108    H    AIB  12           HN       AIB  12  -5.745  -7.692   0.122
  109   HB11  AIB  12          HB11      AIB  12  -6.873  -8.845  -3.070
  110   HB12  AIB  12          HB12      AIB  12  -7.181  -9.182  -1.367
  111   HB13  AIB  12          HB13      AIB  12  -5.523  -9.036  -1.951
  112   HB21  AIB  12          HB21      AIB  12  -4.680  -6.847  -2.724
  113   HB22  AIB  12          HB22      AIB  12  -5.732  -5.432  -2.674
  114   HB23  AIB  12          HB23      AIB  12  -6.070  -6.744  -3.804
  115    H    GLY  13           HN       GLY  13  -8.314  -7.060   0.056
  116    HA2  GLY  13           HA2      GLY  13 -10.536  -6.472  -1.717
  117    HA3  GLY  13           HA1      GLY  13 -10.636  -6.804   0.003
  118    H    CYS  14           HN       CYS  14  -8.241  -4.547  -0.642
  119    HA   CYS  14           HA       CYS  14 -10.074  -2.271  -0.312
  120    HB2  CYS  14           HB2      CYS  14  -7.440  -2.389   1.125
  121    HB3  CYS  14           HB1      CYS  14  -8.830  -1.373   1.467
  122    H    GLU  15           HN       GLU  15  -8.675  -0.161  -0.601
  123    HA   GLU  15           HA       GLU  15  -6.856  -0.613  -2.877
  124    HB2  GLU  15           HB2      GLU  15  -8.458   1.851  -2.171
  125    HB3  GLU  15           HB1      GLU  15  -7.364   1.710  -3.536
  126    HG2  GLU  15           HG2      GLU  15  -8.786   0.002  -4.524
  127    HG3  GLU  15           HG1      GLU  15  -9.867   0.088  -3.132
  128    H    VAL  16           HN       VAL  16  -4.816  -0.561  -2.184
  129    HA   VAL  16           HA       VAL  16  -4.092   1.206   0.023
  130    HB   VAL  16           HB       VAL  16  -2.394  -0.827  -1.428
  131   HG11  VAL  16          HG11      VAL  16  -1.079   0.975  -0.417
  132   HG12  VAL  16          HG12      VAL  16  -0.834  -0.551   0.433
  133   HG13  VAL  16          HG13      VAL  16  -1.875   0.689   1.132
  134   HG21  VAL  16          HG21      VAL  16  -3.794  -0.991   1.238
  135   HG22  VAL  16          HG22      VAL  16  -2.673  -2.192   0.598
  136   HG23  VAL  16          HG23      VAL  16  -4.211  -1.896  -0.216
  137    H    ARG  17           HN       ARG  17  -3.348   3.154  -0.348
  138    HA   ARG  17           HA       ARG  17  -2.192   3.774  -2.969
  139    HB2  ARG  17           HB2      ARG  17  -4.048   5.191  -2.199
  140    HB3  ARG  17           HB1      ARG  17  -3.123   5.618  -0.771
  141    HG2  ARG  17           HG2      ARG  17  -1.419   6.658  -2.209
  142    HG3  ARG  17           HG1      ARG  17  -2.414   6.282  -3.618
  143    HD2  ARG  17           HD2      ARG  17  -3.212   8.030  -1.291
  144    HD3  ARG  17           HD1      ARG  17  -2.752   8.592  -2.899
  145    HE   ARG  17           HE       ARG  17  -4.762   7.154  -3.625
  146   HH11  ARG  17          HH11      ARG  17  -4.556   8.948  -0.617
  147   HH12  ARG  17          HH12      ARG  17  -6.276   9.184  -0.506
  148   HH21  ARG  17          HH21      ARG  17  -7.013   7.461  -3.471
  149   HH22  ARG  17          HH22      ARG  17  -7.672   8.337  -2.127
  150    H    CYS  18           HN       CYS  18  -0.072   3.765  -3.130
  151    HA   CYS  18           HA       CYS  18   1.563   4.128  -0.736
  152    HB2  CYS  18           HB2      CYS  18   2.336   3.154  -3.496
  153    HB3  CYS  18           HB1      CYS  18   3.384   3.185  -2.083
  154    H    ASP  19           HN       ASP  19   2.127   6.181  -0.365
  155    HA   ASP  19           HA       ASP  19   2.908   7.848  -2.661
  156    HB2  ASP  19           HB2      ASP  19   0.704   8.572  -1.871
  157    HB3  ASP  19           HB1      ASP  19   1.331   8.734  -0.234
  158    HA   DPR  20           HA       DPR  20   6.640   9.002  -0.599
  159    HB2  DPR  20           HB2      DPR  20   8.322   7.871  -1.625
  160    HB3  DPR  20           HB1      DPR  20   7.645   6.292  -1.215
  161    HG2  DPR  20           HG2      DPR  20   6.965   8.121  -3.476
  162    HG3  DPR  20           HG1      DPR  20   7.124   6.355  -3.472
  163    HD2  DPR  20           HD2      DPR  20   4.722   7.586  -3.424
  164    HD3  DPR  20           HD1      DPR  20   5.006   6.040  -2.600
  165    HA   PRO  21           HA       PRO  21   7.228   6.756   3.235
  166    HB2  PRO  21           HB2      PRO  21   7.027   8.852   4.883
  167    HB3  PRO  21           HB1      PRO  21   8.435   8.639   3.836
  168    HG2  PRO  21           HG2      PRO  21   6.045  10.405   3.452
  169    HG3  PRO  21           HG1      PRO  21   7.759  10.776   3.195
  170    HD2  PRO  21           HD2      PRO  21   6.034  10.089   1.181
  171    HD3  PRO  21           HD1      PRO  21   7.783   9.795   1.123
  172    H    ARG  22           HN       ARG  22   4.418   8.057   2.004
  173    HA   ARG  22           HA       ARG  22   2.891   7.467   4.451
  174    HB2  ARG  22           HB2      ARG  22   2.137   9.186   2.087
  175    HB3  ARG  22           HB1      ARG  22   1.092   8.846   3.460
  176    HG2  ARG  22           HG2      ARG  22   2.710   9.952   4.942
  177    HG3  ARG  22           HG1      ARG  22   3.715  10.328   3.541
  178    HD2  ARG  22           HD2      ARG  22   0.872  11.251   3.955
  179    HD3  ARG  22           HD1      ARG  22   2.310  12.227   4.235
  180    HE   ARG  22           HE       ARG  22   1.990  11.130   1.554
  181   HH11  ARG  22          HH11      ARG  22   1.647  13.882   3.688
  182   HH12  ARG  22          HH12      ARG  22   1.515  15.027   2.393
  183   HH21  ARG  22          HH21      ARG  22   1.623  14.311   0.209
  184   HH22  ARG  22          HH22      ARG  22   1.833  12.616  -0.144
  185    H    TYR  23           HN       TYR  23   1.290   6.011   4.409
  186    HA   TYR  23           HA       TYR  23   0.562   4.815   1.829
  187    HB2  TYR  23           HB2      TYR  23   0.893   3.305   4.428
  188    HB3  TYR  23           HB1      TYR  23   0.402   2.625   2.883
  189    HD1  TYR  23           HD1      TYR  23   3.209   3.952   4.826
  190    HD2  TYR  23           HD2      TYR  23   2.011   2.213   1.135
  191    HE1  TYR  23           HE1      TYR  23   5.561   3.505   4.282
  192    HE2  TYR  23           HE2      TYR  23   4.361   1.757   0.585
  193    HH   TYR  23           HH       TYR  23   6.570   2.475   1.151
  194    H    GLU  24           HN       GLU  24  -1.569   4.706   1.478
  195    HA   GLU  24           HA       GLU  24  -3.331   5.268   3.775
  196    HB2  GLU  24           HB2      GLU  24  -3.703   6.216   0.930
  197    HB3  GLU  24           HB1      GLU  24  -4.804   6.515   2.261
  198    HG2  GLU  24           HG2      GLU  24  -3.076   7.820   3.396
  199    HG3  GLU  24           HG1      GLU  24  -1.979   7.527   2.047
  200    H    VAL  25           HN       VAL  25  -4.044   3.255   4.188
  201    HA   VAL  25           HA       VAL  25  -4.962   1.517   2.073
  202    HB   VAL  25           HB       VAL  25  -5.221   1.241   5.078
  203   HG11  VAL  25          HG11      VAL  25  -5.712  -0.777   2.890
  204   HG12  VAL  25          HG12      VAL  25  -6.940  -0.028   3.908
  205   HG13  VAL  25          HG13      VAL  25  -5.743  -1.112   4.621
  206   HG21  VAL  25          HG21      VAL  25  -2.897   1.213   4.362
  207   HG22  VAL  25          HG22      VAL  25  -3.268  -0.004   3.145
  208   HG23  VAL  25          HG23      VAL  25  -3.400  -0.404   4.855
  209    H    HIS  26           HN       HIS  26  -6.757   2.149   1.062
  210    HA   HIS  26           HA       HIS  26  -8.908   3.414   2.578
  211    HB2  HIS  26           HB2      HIS  26  -7.989   4.126   0.205
  212    HB3  HIS  26           HB1      HIS  26  -9.071   2.864  -0.354
  213    HD1  HIS  26           HD1      HIS  26  -9.015   6.373   0.351
  214    HD2  HIS  26           HD2      HIS  26 -11.852   3.351   0.666
  215    HE1  HIS  26           HE1      HIS  26 -11.237   7.538   0.443
  216    HE2  HIS  26           HE2      HIS  26 -12.940   5.687   0.467
  217    H    CYS  27           HN       CYS  27 -10.094   1.947   3.631
  218    HA   CYS  27           HA       CYS  27 -11.300  -0.203   2.086
  219    HB2  CYS  27           HB2      CYS  27  -9.111  -0.898   3.358
  220    HB3  CYS  27           HB1      CYS  27 -10.162  -0.885   4.768
  221    HN1  NH2  28           HN1      NH2  28 -11.004   0.844   5.465
  222    HN2  NH2  28           HN2      NH2  28 -12.702   1.000   5.751
  Start of MODEL    4
    1    H1   ASN   1           HT1      ASN   1   8.828  -6.320   1.961
    2    H2   ASN   1           HT2      ASN   1  10.056  -7.472   1.750
    3    H3   ASN   1           HT3      ASN   1   9.126  -6.979   0.429
    4    HA   ASN   1           HA       ASN   1  10.993  -5.285   1.970
    5    HB2  ASN   1           HB2      ASN   1  11.190  -6.400  -0.838
    6    HB3  ASN   1           HB1      ASN   1  12.307  -5.236  -0.135
    7   HD21  ASN   1          HD21      ASN   1  14.059  -6.606  -0.370
    8   HD22  ASN   1          HD22      ASN   1  14.277  -8.001   0.630
    9    H    ASP   2           HN       ASP   2   9.023  -5.517  -0.978
   10    HA   ASP   2           HA       ASP   2   8.837  -2.658  -1.245
   11    HB2  ASP   2           HB2      ASP   2   7.347  -4.896  -2.637
   12    HB3  ASP   2           HB1      ASP   2   7.204  -3.194  -3.049
   13    H    LYS   3           HN       LYS   3   7.607  -1.504   0.059
   14    HA   LYS   3           HA       LYS   3   5.827  -2.698   1.899
   15    HB2  LYS   3           HB2      LYS   3   6.159   0.222   1.186
   16    HB3  LYS   3           HB1      LYS   3   5.263  -0.383   2.568
   17    HG2  LYS   3           HG2      LYS   3   7.279   0.252   3.490
   18    HG3  LYS   3           HG1      LYS   3   7.494  -1.480   3.252
   19    HD2  LYS   3           HD2      LYS   3   8.699  -1.032   1.160
   20    HD3  LYS   3           HD1      LYS   3   8.495   0.700   1.420
   21    HE2  LYS   3           HE2      LYS   3  10.697   0.080   2.124
   22    HE3  LYS   3           HE1      LYS   3   9.743   0.460   3.555
   23    HZ1  LYS   3           HZ1      LYS   3   9.452  -1.866   3.986
   24    HZ2  LYS   3           HZ2      LYS   3  11.103  -1.563   3.791
   25    HZ3  LYS   3           HZ3      LYS   3  10.224  -2.290   2.542
   26    H    CYS   4           HN       CYS   4   5.374  -0.855  -1.066
   27    HA   CYS   4           HA       CYS   4   2.584  -0.644  -0.955
   28    HB2  CYS   4           HB2      CYS   4   4.468  -0.751  -3.309
   29    HB3  CYS   4           HB1      CYS   4   2.750  -0.392  -3.456
   30    H    LYS   5           HN       LYS   5   4.676  -3.173  -2.267
   31    HA   LYS   5           HA       LYS   5   2.607  -4.729  -3.411
   32    HB2  LYS   5           HB2      LYS   5   5.372  -5.518  -2.483
   33    HB3  LYS   5           HB1      LYS   5   4.302  -6.562  -3.404
   34    HG2  LYS   5           HG2      LYS   5   5.272  -3.887  -4.380
   35    HG3  LYS   5           HG1      LYS   5   6.071  -5.417  -4.734
   36    HD2  LYS   5           HD2      LYS   5   3.937  -6.221  -5.738
   37    HD3  LYS   5           HD1      LYS   5   3.277  -4.601  -5.512
   38    HE2  LYS   5           HE2      LYS   5   4.088  -4.886  -7.787
   39    HE3  LYS   5           HE1      LYS   5   5.048  -3.684  -6.930
   40    HZ1  LYS   5           HZ1      LYS   5   5.859  -6.519  -7.235
   41    HZ2  LYS   5           HZ2      LYS   5   6.801  -5.246  -6.645
   42    HZ3  LYS   5           HZ3      LYS   5   6.360  -5.286  -8.275
   43    H    GLU   6           HN       GLU   6   4.272  -4.837  -0.298
   44    HA   GLU   6           HA       GLU   6   2.988  -7.171   0.650
   45    HB2  GLU   6           HB2      GLU   6   4.341  -4.905   2.120
   46    HB3  GLU   6           HB1      GLU   6   3.760  -6.366   2.905
   47    HG2  GLU   6           HG2      GLU   6   5.280  -7.706   1.527
   48    HG3  GLU   6           HG1      GLU   6   5.873  -6.234   0.760
   49    H    LEU   7           HN       LEU   7   2.249  -3.734   0.958
   50    HA   LEU   7           HA       LEU   7   0.077  -4.077   2.744
   51    HB2  LEU   7           HB2      LEU   7   0.827  -1.845   0.871
   52    HB3  LEU   7           HB1      LEU   7  -0.542  -1.759   1.962
   53    HG   LEU   7           HG       LEU   7   2.272  -2.240   2.926
   54   HD11  LEU   7          HD11      LEU   7   2.328   0.145   3.509
   55   HD12  LEU   7          HD12      LEU   7   0.790   0.376   2.682
   56   HD13  LEU   7          HD13      LEU   7   2.221  -0.098   1.766
   57   HD21  LEU   7          HD21      LEU   7   1.359  -1.479   5.063
   58   HD22  LEU   7          HD22      LEU   7   0.491  -2.891   4.465
   59   HD23  LEU   7          HD23      LEU   7  -0.228  -1.286   4.319
   60    H    LYS   8           HN       LYS   8   0.309  -3.819  -0.782
   61    HA   LYS   8           HA       LYS   8  -2.492  -3.885  -1.247
   62    HB2  LYS   8           HB2      LYS   8  -0.131  -4.507  -3.011
   63    HB3  LYS   8           HB1      LYS   8  -1.788  -4.610  -3.587
   64    HG2  LYS   8           HG2      LYS   8  -2.120  -2.251  -3.130
   65    HG3  LYS   8           HG1      LYS   8  -0.488  -2.133  -2.472
   66    HD2  LYS   8           HD2      LYS   8   0.443  -2.734  -4.643
   67    HD3  LYS   8           HD1      LYS   8  -1.185  -2.890  -5.307
   68    HE2  LYS   8           HE2      LYS   8  -1.591  -0.518  -4.818
   69    HE3  LYS   8           HE1      LYS   8   0.051  -0.375  -4.194
   70    HZ1  LYS   8           HZ1      LYS   8  -0.613  -1.173  -6.976
   71    HZ2  LYS   8           HZ2      LYS   8   0.925  -0.846  -6.356
   72    HZ3  LYS   8           HZ3      LYS   8  -0.207   0.399  -6.508
   73    H    LYS   9           HN       LYS   9  -0.050  -6.350  -0.863
   74    HA   LYS   9           HA       LYS   9  -1.694  -8.538  -1.655
   75    HB2  LYS   9           HB2      LYS   9   0.734  -8.692  -1.722
   76    HB3  LYS   9           HB1      LYS   9   0.826  -8.417   0.010
   77    HG2  LYS   9           HG2      LYS   9  -0.353 -10.544   0.387
   78    HG3  LYS   9           HG1      LYS   9  -0.362 -10.821  -1.357
   79    HD2  LYS   9           HD2      LYS   9   2.057 -10.816  -1.404
   80    HD3  LYS   9           HD1      LYS   9   2.114 -10.433   0.316
   81    HE2  LYS   9           HE2      LYS   9   0.991 -12.568   0.805
   82    HE3  LYS   9           HE1      LYS   9   1.004 -12.950  -0.916
   83    HZ1  LYS   9           HZ1      LYS   9   3.404 -12.916  -0.889
   84    HZ2  LYS   9           HZ2      LYS   9   2.835 -14.005   0.273
   85    HZ3  LYS   9           HZ3      LYS   9   3.418 -12.491   0.748
   86    H    ARG  10           HN       ARG  10  -0.761  -7.155   1.472
   87    HA   ARG  10           HA       ARG  10  -2.109  -9.051   3.064
   88    HB2  ARG  10           HB2      ARG  10  -0.338  -7.613   3.947
   89    HB3  ARG  10           HB1      ARG  10  -1.351  -6.197   3.703
   90    HG2  ARG  10           HG2      ARG  10  -2.965  -7.090   5.319
   91    HG3  ARG  10           HG1      ARG  10  -1.902  -8.478   5.588
   92    HD2  ARG  10           HD2      ARG  10  -0.134  -6.964   6.357
   93    HD3  ARG  10           HD1      ARG  10  -1.200  -5.585   6.089
   94    HE   ARG  10           HE       ARG  10  -2.309  -7.560   7.866
   95   HH11  ARG  10          HH11      ARG  10  -0.448  -4.305   9.309
   96   HH12  ARG  10          HH12      ARG  10  -0.240  -4.746   7.647
   97   HH21  ARG  10          HH21      ARG  10  -2.582  -6.987  10.061
   98   HH22  ARG  10          HH22      ARG  10  -1.774  -5.582  10.685
   99    H    TYR  11           HN       TYR  11  -3.048  -5.785   2.009
  100    HA   TYR  11           HA       TYR  11  -5.659  -6.145   3.233
  101    HB2  TYR  11           HB2      TYR  11  -4.407  -3.778   1.841
  102    HB3  TYR  11           HB1      TYR  11  -6.014  -3.781   2.557
  103    HD1  TYR  11           HD1      TYR  11  -6.189  -4.316   5.050
  104    HD2  TYR  11           HD2      TYR  11  -2.537  -3.259   3.153
  105    HE1  TYR  11           HE1      TYR  11  -5.243  -3.700   7.230
  106    HE2  TYR  11           HE2      TYR  11  -1.580  -2.644   5.329
  107    HH   TYR  11           HH       TYR  11  -2.358  -1.940   7.553
  108    H    AIB  12           HN       AIB  12  -5.525  -7.970   1.373
  109   HB11  AIB  12          HB11      AIB  12  -5.714  -9.642  -0.514
  110   HB12  AIB  12          HB12      AIB  12  -7.329  -9.645  -1.224
  111   HB13  AIB  12          HB13      AIB  12  -7.136  -9.698   0.527
  112   HB21  AIB  12          HB21      AIB  12  -6.181  -6.205  -1.659
  113   HB22  AIB  12          HB22      AIB  12  -6.695  -7.680  -2.478
  114   HB23  AIB  12          HB23      AIB  12  -5.117  -7.608  -1.697
  115    H    GLY  13           HN       GLY  13  -8.151  -6.347  -1.947
  116    HA2  GLY  13           HA2      GLY  13 -10.545  -6.146  -1.990
  117    HA3  GLY  13           HA1      GLY  13 -10.561  -6.503  -0.271
  118    H    CYS  14           HN       CYS  14  -8.088  -4.576  -0.245
  119    HA   CYS  14           HA       CYS  14  -9.690  -2.109  -0.141
  120    HB2  CYS  14           HB2      CYS  14  -7.100  -2.695   1.290
  121    HB3  CYS  14           HB1      CYS  14  -8.130  -1.288   1.512
  122    H    GLU  15           HN       GLU  15  -8.793  -0.203  -0.967
  123    HA   GLU  15           HA       GLU  15  -6.801  -0.625  -3.059
  124    HB2  GLU  15           HB2      GLU  15  -8.503   1.785  -2.401
  125    HB3  GLU  15           HB1      GLU  15  -7.397   1.677  -3.758
  126    HG2  GLU  15           HG2      GLU  15  -8.736  -0.212  -4.641
  127    HG3  GLU  15           HG1      GLU  15  -9.879   0.038  -3.321
  128    H    VAL  16           HN       VAL  16  -4.743  -0.379  -2.525
  129    HA   VAL  16           HA       VAL  16  -4.075   1.367  -0.270
  130    HB   VAL  16           HB       VAL  16  -2.349  -0.686  -1.665
  131   HG11  VAL  16          HG11      VAL  16  -1.862   0.812   0.910
  132   HG12  VAL  16          HG12      VAL  16  -1.092   1.175  -0.633
  133   HG13  VAL  16          HG13      VAL  16  -0.790  -0.370   0.159
  134   HG21  VAL  16          HG21      VAL  16  -2.668  -2.023   0.381
  135   HG22  VAL  16          HG22      VAL  16  -4.183  -1.747  -0.476
  136   HG23  VAL  16          HG23      VAL  16  -3.807  -0.817   0.974
  137    H    ARG  17           HN       ARG  17  -3.242   3.285  -0.614
  138    HA   ARG  17           HA       ARG  17  -2.050   3.873  -3.238
  139    HB2  ARG  17           HB2      ARG  17  -3.140   5.781  -1.170
  140    HB3  ARG  17           HB1      ARG  17  -2.480   6.233  -2.730
  141    HG2  ARG  17           HG2      ARG  17  -4.287   4.972  -3.828
  142    HG3  ARG  17           HG1      ARG  17  -4.967   4.615  -2.240
  143    HD2  ARG  17           HD2      ARG  17  -6.123   6.499  -3.222
  144    HD3  ARG  17           HD1      ARG  17  -5.196   7.029  -1.820
  145    HE   ARG  17           HE       ARG  17  -3.623   7.366  -4.123
  146   HH11  ARG  17          HH11      ARG  17  -6.490   8.685  -2.629
  147   HH12  ARG  17          HH12      ARG  17  -6.298  10.253  -3.341
  148   HH21  ARG  17          HH21      ARG  17  -3.361   9.416  -5.073
  149   HH22  ARG  17          HH22      ARG  17  -4.507  10.673  -4.735
  150    H    CYS  18           HN       CYS  18  -0.047   4.827  -3.367
  151    HA   CYS  18           HA       CYS  18   1.515   4.727  -0.883
  152    HB2  CYS  18           HB2      CYS  18   2.434   4.304  -3.730
  153    HB3  CYS  18           HB1      CYS  18   3.466   4.244  -2.307
  154    H    ASP  19           HN       ASP  19   2.603   6.484  -0.245
  155    HA   ASP  19           HA       ASP  19   3.224   8.599  -2.165
  156    HB2  ASP  19           HB2      ASP  19   1.074   9.236  -1.083
  157    HB3  ASP  19           HB1      ASP  19   1.857   9.126   0.485
  158    HA   DPR  20           HA       DPR  20   7.112   8.754   0.001
  159    HB2  DPR  20           HB2      DPR  20   8.608   7.544  -1.210
  160    HB3  DPR  20           HB1      DPR  20   7.688   6.046  -1.033
  161    HG2  DPR  20           HG2      DPR  20   7.314   8.283  -2.979
  162    HG3  DPR  20           HG1      DPR  20   7.220   6.534  -3.254
  163    HD2  DPR  20           HD2      DPR  20   5.013   8.051  -3.001
  164    HD3  DPR  20           HD1      DPR  20   5.076   6.390  -2.381
  165    HA   PRO  21           HA       PRO  21   7.207   5.887   3.462
  166    HB2  PRO  21           HB2      PRO  21   7.262   7.742   5.400
  167    HB3  PRO  21           HB1      PRO  21   8.674   7.422   4.386
  168    HG2  PRO  21           HG2      PRO  21   6.657   9.624   4.179
  169    HG3  PRO  21           HG1      PRO  21   8.421   9.709   4.030
  170    HD2  PRO  21           HD2      PRO  21   6.725   9.636   1.888
  171    HD3  PRO  21           HD1      PRO  21   8.389   9.024   1.843
  172    H    ARG  22           HN       ARG  22   4.730   7.793   2.352
  173    HA   ARG  22           HA       ARG  22   2.963   7.212   4.633
  174    HB2  ARG  22           HB2      ARG  22   2.572   9.123   2.328
  175    HB3  ARG  22           HB1      ARG  22   1.476   8.913   3.684
  176    HG2  ARG  22           HG2      ARG  22   3.127   9.792   5.208
  177    HG3  ARG  22           HG1      ARG  22   4.313   9.891   3.905
  178    HD2  ARG  22           HD2      ARG  22   3.278  12.070   4.398
  179    HD3  ARG  22           HD1      ARG  22   2.968  11.530   2.748
  180    HE   ARG  22           HE       ARG  22   1.000  11.387   4.948
  181   HH11  ARG  22          HH11      ARG  22   1.779  11.722   1.542
  182   HH12  ARG  22          HH12      ARG  22   0.129  11.999   1.076
  183   HH21  ARG  22          HH21      ARG  22  -1.537  12.003   2.639
  184   HH22  ARG  22          HH22      ARG  22  -1.168  11.729   4.312
  185    H    TYR  23           HN       TYR  23   1.041   6.106   4.313
  186    HA   TYR  23           HA       TYR  23   0.459   5.128   1.628
  187    HB2  TYR  23           HB2      TYR  23   0.813   3.284   4.000
  188    HB3  TYR  23           HB1      TYR  23   0.229   2.811   2.410
  189    HD1  TYR  23           HD1      TYR  23   3.146   3.650   4.406
  190    HD2  TYR  23           HD2      TYR  23   1.753   2.779   0.486
  191    HE1  TYR  23           HE1      TYR  23   5.457   3.251   3.681
  192    HE2  TYR  23           HE2      TYR  23   4.060   2.372  -0.249
  193    HH   TYR  23           HH       TYR  23   6.336   2.987   0.401
  194    H    GLU  24           HN       GLU  24  -1.656   4.839   1.232
  195    HA   GLU  24           HA       GLU  24  -3.494   5.367   3.480
  196    HB2  GLU  24           HB2      GLU  24  -3.860   6.076   0.563
  197    HB3  GLU  24           HB1      GLU  24  -5.011   6.400   1.846
  198    HG2  GLU  24           HG2      GLU  24  -2.234   7.548   1.723
  199    HG3  GLU  24           HG1      GLU  24  -3.687   8.371   1.158
  200    H    VAL  25           HN       VAL  25  -4.497   3.538   4.026
  201    HA   VAL  25           HA       VAL  25  -5.047   1.541   1.957
  202    HB   VAL  25           HB       VAL  25  -5.242   1.312   4.968
  203   HG11  VAL  25          HG11      VAL  25  -5.535  -1.091   4.573
  204   HG12  VAL  25          HG12      VAL  25  -5.554  -0.796   2.833
  205   HG13  VAL  25          HG13      VAL  25  -6.842  -0.152   3.849
  206   HG21  VAL  25          HG21      VAL  25  -3.267  -0.147   4.741
  207   HG22  VAL  25          HG22      VAL  25  -2.941   1.505   4.212
  208   HG23  VAL  25          HG23      VAL  25  -3.206   0.233   3.020
  209    H    HIS  26           HN       HIS  26  -6.895   1.926   0.946
  210    HA   HIS  26           HA       HIS  26  -9.139   3.053   2.459
  211    HB2  HIS  26           HB2      HIS  26  -8.308   4.227   0.403
  212    HB3  HIS  26           HB1      HIS  26  -8.806   2.830  -0.534
  213    HD1  HIS  26           HD1      HIS  26 -10.231   5.669   1.480
  214    HD2  HIS  26           HD2      HIS  26 -11.490   2.709  -1.141
  215    HE1  HIS  26           HE1      HIS  26 -12.616   6.228   0.927
  216    HE2  HIS  26           HE2      HIS  26 -13.332   4.474  -0.731
  217    H    CYS  27           HN       CYS  27 -10.069   1.293   3.408
  218    HA   CYS  27           HA       CYS  27 -10.823  -0.971   1.736
  219    HB2  CYS  27           HB2      CYS  27 -11.100  -0.536   4.715
  220    HB3  CYS  27           HB1      CYS  27 -11.541  -2.010   3.864
  221    HN1  NH2  28           HN1      NH2  28 -12.529   0.824   4.279
  222    HN2  NH2  28           HN2      NH2  28 -14.033   0.922   3.433
  Start of MODEL    5
    1    H1   ASN   1           HT1      ASN   1  12.218  -3.893  -0.242
    2    H2   ASN   1           HT2      ASN   1  13.456  -2.908   0.342
    3    H3   ASN   1           HT3      ASN   1  12.654  -2.498  -1.088
    4    HA   ASN   1           HA       ASN   1  11.410  -2.619   1.594
    5    HB2  ASN   1           HB2      ASN   1  13.085  -0.751   1.215
    6    HB3  ASN   1           HB1      ASN   1  12.025  -0.162  -0.062
    7   HD21  ASN   1          HD21      ASN   1  11.683   1.776   1.030
    8   HD22  ASN   1          HD22      ASN   1  10.674   1.871   2.432
    9    H    ASP   2           HN       ASP   2  10.157  -4.103  -0.098
   10    HA   ASP   2           HA       ASP   2   8.438  -2.602  -1.877
   11    HB2  ASP   2           HB2      ASP   2   7.559  -4.807  -2.545
   12    HB3  ASP   2           HB1      ASP   2   9.311  -4.745  -2.653
   13    H    LYS   3           HN       LYS   3   7.889  -1.601   0.449
   14    HA   LYS   3           HA       LYS   3   6.021  -2.988   2.054
   15    HB2  LYS   3           HB2      LYS   3   6.809  -0.104   1.818
   16    HB3  LYS   3           HB1      LYS   3   5.488  -0.598   2.868
   17    HG2  LYS   3           HG2      LYS   3   6.991  -2.048   4.109
   18    HG3  LYS   3           HG1      LYS   3   8.320  -1.607   3.037
   19    HD2  LYS   3           HD2      LYS   3   8.280   0.652   3.791
   20    HD3  LYS   3           HD1      LYS   3   6.774   0.392   4.673
   21    HE2  LYS   3           HE2      LYS   3   8.716   0.446   6.166
   22    HE3  LYS   3           HE1      LYS   3   7.900  -1.113   6.202
   23    HZ1  LYS   3           HZ1      LYS   3  10.282  -0.595   4.520
   24    HZ2  LYS   3           HZ2      LYS   3   9.597  -2.088   4.926
   25    HZ3  LYS   3           HZ3      LYS   3  10.389  -1.176   6.106
   26    H    CYS   4           HN       CYS   4   5.655  -0.791  -0.684
   27    HA   CYS   4           HA       CYS   4   2.869  -0.440  -0.461
   28    HB2  CYS   4           HB2      CYS   4   4.245   0.963  -1.937
   29    HB3  CYS   4           HB1      CYS   4   4.575  -0.427  -2.959
   30    H    LYS   5           HN       LYS   5   4.821  -2.853  -2.127
   31    HA   LYS   5           HA       LYS   5   2.629  -4.212  -3.315
   32    HB2  LYS   5           HB2      LYS   5   5.453  -5.118  -2.739
   33    HB3  LYS   5           HB1      LYS   5   4.290  -6.051  -3.671
   34    HG2  LYS   5           HG2      LYS   5   4.163  -4.253  -5.317
   35    HG3  LYS   5           HG1      LYS   5   5.328  -3.314  -4.387
   36    HD2  LYS   5           HD2      LYS   5   7.006  -5.047  -4.719
   37    HD3  LYS   5           HD1      LYS   5   5.835  -6.023  -5.608
   38    HE2  LYS   5           HE2      LYS   5   6.858  -3.302  -6.408
   39    HE3  LYS   5           HE1      LYS   5   7.325  -4.839  -7.131
   40    HZ1  LYS   5           HZ1      LYS   5   4.599  -3.661  -7.164
   41    HZ2  LYS   5           HZ2      LYS   5   5.027  -5.149  -7.843
   42    HZ3  LYS   5           HZ3      LYS   5   5.670  -3.717  -8.472
   43    H    GLU   6           HN       GLU   6   4.446  -4.617  -0.334
   44    HA   GLU   6           HA       GLU   6   3.265  -7.026   0.513
   45    HB2  GLU   6           HB2      GLU   6   5.322  -5.988   1.491
   46    HB3  GLU   6           HB1      GLU   6   4.298  -4.778   2.253
   47    HG2  GLU   6           HG2      GLU   6   4.787  -6.403   3.898
   48    HG3  GLU   6           HG1      GLU   6   3.110  -6.654   3.416
   49    H    LEU   7           HN       LEU   7   2.385  -3.639   1.076
   50    HA   LEU   7           HA       LEU   7   0.197  -4.242   2.781
   51    HB2  LEU   7           HB2      LEU   7   0.807  -1.763   1.184
   52    HB3  LEU   7           HB1      LEU   7  -0.448  -1.881   2.400
   53    HG   LEU   7           HG       LEU   7   2.515  -2.188   2.906
   54   HD11  LEU   7          HD11      LEU   7   2.302  -0.062   4.094
   55   HD12  LEU   7          HD12      LEU   7   0.617   0.050   3.586
   56   HD13  LEU   7          HD13      LEU   7   1.907   0.102   2.383
   57   HD21  LEU   7          HD21      LEU   7   1.898  -2.161   5.274
   58   HD22  LEU   7          HD22      LEU   7   1.193  -3.543   4.440
   59   HD23  LEU   7          HD23      LEU   7   0.195  -2.145   4.829
   60    H    LYS   8           HN       LYS   8   0.496  -3.682  -0.694
   61    HA   LYS   8           HA       LYS   8  -2.319  -3.773  -1.159
   62    HB2  LYS   8           HB2      LYS   8   0.057  -4.026  -2.991
   63    HB3  LYS   8           HB1      LYS   8  -1.592  -4.195  -3.575
   64    HG2  LYS   8           HG2      LYS   8  -2.109  -1.947  -2.795
   65    HG3  LYS   8           HG1      LYS   8  -0.464  -1.771  -2.188
   66    HD2  LYS   8           HD2      LYS   8  -0.371  -0.680  -4.225
   67    HD3  LYS   8           HD1      LYS   8   0.225  -2.288  -4.634
   68    HE2  LYS   8           HE2      LYS   8  -2.660  -1.489  -4.948
   69    HE3  LYS   8           HE1      LYS   8  -1.470  -1.251  -6.223
   70    HZ1  LYS   8           HZ1      LYS   8  -2.637  -3.286  -6.590
   71    HZ2  LYS   8           HZ2      LYS   8  -2.296  -3.841  -5.034
   72    HZ3  LYS   8           HZ3      LYS   8  -1.047  -3.662  -6.158
   73    H    LYS   9           HN       LYS   9   0.141  -6.183  -0.792
   74    HA   LYS   9           HA       LYS   9  -1.457  -8.331  -1.841
   75    HB2  LYS   9           HB2      LYS   9   0.990  -8.474  -1.814
   76    HB3  LYS   9           HB1      LYS   9   0.994  -8.351  -0.062
   77    HG2  LYS   9           HG2      LYS   9  -0.171 -10.489   0.096
   78    HG3  LYS   9           HG1      LYS   9  -0.188 -10.607  -1.664
   79    HD2  LYS   9           HD2      LYS   9   2.246 -10.620  -1.702
   80    HD3  LYS   9           HD1      LYS   9   2.285 -10.451   0.052
   81    HE2  LYS   9           HE2      LYS   9   2.671 -12.753  -0.535
   82    HE3  LYS   9           HE1      LYS   9   1.106 -12.605   0.256
   83    HZ1  LYS   9           HZ1      LYS   9   0.060 -12.647  -1.945
   84    HZ2  LYS   9           HZ2      LYS   9   0.949 -14.051  -1.642
   85    HZ3  LYS   9           HZ3      LYS   9   1.574 -12.864  -2.665
   86    H    ARG  10           HN       ARG  10  -0.673  -7.047   1.336
   87    HA   ARG  10           HA       ARG  10  -2.058  -8.961   2.875
   88    HB2  ARG  10           HB2      ARG  10  -0.329  -7.479   3.784
   89    HB3  ARG  10           HB1      ARG  10  -1.360  -6.089   3.500
   90    HG2  ARG  10           HG2      ARG  10  -2.979  -6.963   5.113
   91    HG3  ARG  10           HG1      ARG  10  -1.908  -8.341   5.418
   92    HD2  ARG  10           HD2      ARG  10  -0.153  -6.818   6.163
   93    HD3  ARG  10           HD1      ARG  10  -1.195  -5.437   5.839
   94    HE   ARG  10           HE       ARG  10  -2.636  -6.930   7.605
   95   HH11  ARG  10          HH11      ARG  10   0.674  -5.412   9.306
   96   HH12  ARG  10          HH12      ARG  10   0.600  -5.590   7.584
   97   HH21  ARG  10          HH21      ARG  10  -2.552  -6.688   9.864
   98   HH22  ARG  10          HH22      ARG  10  -1.123  -6.049  10.614
   99    H    TYR  11           HN       TYR  11  -2.972  -5.665   1.889
  100    HA   TYR  11           HA       TYR  11  -5.655  -6.048   2.920
  101    HB2  TYR  11           HB2      TYR  11  -4.323  -3.702   1.572
  102    HB3  TYR  11           HB1      TYR  11  -5.980  -3.697   2.150
  103    HD1  TYR  11           HD1      TYR  11  -6.411  -3.952   4.615
  104    HD2  TYR  11           HD2      TYR  11  -2.522  -3.292   3.029
  105    HE1  TYR  11           HE1      TYR  11  -5.625  -3.272   6.837
  106    HE2  TYR  11           HE2      TYR  11  -1.726  -2.607   5.252
  107    HH   TYR  11           HH       TYR  11  -2.699  -1.696   7.360
  108    H    AIB  12           HN       AIB  12  -5.197  -7.842   0.920
  109   HB11  AIB  12          HB11      AIB  12  -6.524  -9.665  -0.190
  110   HB12  AIB  12          HB12      AIB  12  -5.046  -9.340  -1.097
  111   HB13  AIB  12          HB13      AIB  12  -6.589  -9.474  -1.940
  112   HB21  AIB  12          HB21      AIB  12  -6.248  -7.254  -2.967
  113   HB22  AIB  12          HB22      AIB  12  -4.680  -7.252  -2.163
  114   HB23  AIB  12          HB23      AIB  12  -5.778  -5.890  -1.950
  115    H    GLY  13           HN       GLY  13  -7.681  -5.832  -2.056
  116    HA2  GLY  13           HA2      GLY  13 -10.148  -6.148  -2.380
  117    HA3  GLY  13           HA1      GLY  13 -10.180  -6.543  -0.671
  118    H    CYS  14           HN       CYS  14  -8.024  -4.425  -0.314
  119    HA   CYS  14           HA       CYS  14  -9.860  -2.138  -0.176
  120    HB2  CYS  14           HB2      CYS  14  -7.192  -2.513   1.187
  121    HB3  CYS  14           HB1      CYS  14  -8.353  -1.232   1.495
  122    H    GLU  15           HN       GLU  15  -8.985  -0.013  -0.673
  123    HA   GLU  15           HA       GLU  15  -7.171  -0.084  -2.950
  124    HB2  GLU  15           HB2      GLU  15  -9.221   1.247  -3.147
  125    HB3  GLU  15           HB1      GLU  15  -8.762   2.189  -1.736
  126    HG2  GLU  15           HG2      GLU  15  -6.769   2.986  -2.974
  127    HG3  GLU  15           HG1      GLU  15  -7.355   2.127  -4.397
  128    H    VAL  16           HN       VAL  16  -5.093  -0.217  -2.324
  129    HA   VAL  16           HA       VAL  16  -4.173   1.522  -0.143
  130    HB   VAL  16           HB       VAL  16  -2.661  -0.710  -1.501
  131   HG11  VAL  16          HG11      VAL  16  -1.197   0.962  -0.531
  132   HG12  VAL  16          HG12      VAL  16  -1.142  -0.520   0.426
  133   HG13  VAL  16          HG13      VAL  16  -2.068   0.866   1.000
  134   HG21  VAL  16          HG21      VAL  16  -4.538  -1.654  -0.329
  135   HG22  VAL  16          HG22      VAL  16  -4.163  -0.705   1.107
  136   HG23  VAL  16          HG23      VAL  16  -3.062  -1.978   0.581
  137    H    ARG  17           HN       ARG  17  -3.225   3.352  -0.652
  138    HA   ARG  17           HA       ARG  17  -1.889   3.570  -3.266
  139    HB2  ARG  17           HB2      ARG  17  -3.028   5.830  -1.621
  140    HB3  ARG  17           HB1      ARG  17  -2.354   5.943  -3.239
  141    HG2  ARG  17           HG2      ARG  17  -4.192   4.460  -4.031
  142    HG3  ARG  17           HG1      ARG  17  -4.898   4.562  -2.419
  143    HD2  ARG  17           HD2      ARG  17  -4.433   6.825  -4.356
  144    HD3  ARG  17           HD1      ARG  17  -5.983   6.160  -3.846
  145    HE   ARG  17           HE       ARG  17  -4.158   7.719  -2.125
  146   HH11  ARG  17          HH11      ARG  17  -7.346   6.442  -2.834
  147   HH12  ARG  17          HH12      ARG  17  -8.152   7.506  -1.721
  148   HH21  ARG  17          HH21      ARG  17  -5.223   9.111  -0.646
  149   HH22  ARG  17          HH22      ARG  17  -6.947   9.011  -0.470
  150    H    CYS  18           HN       CYS  18   0.249   3.610  -3.119
  151    HA   CYS  18           HA       CYS  18   1.453   4.375  -0.575
  152    HB2  CYS  18           HB2      CYS  18   3.540   3.385  -1.690
  153    HB3  CYS  18           HB1      CYS  18   2.255   2.280  -1.213
  154    H    ASP  19           HN       ASP  19   2.322   6.294  -0.329
  155    HA   ASP  19           HA       ASP  19   3.579   7.592  -2.644
  156    HB2  ASP  19           HB2      ASP  19   1.355   8.643  -2.159
  157    HB3  ASP  19           HB1      ASP  19   1.952   9.053  -0.553
  158    HA   DPR  20           HA       DPR  20   6.985   8.593  -0.022
  159    HB2  DPR  20           HB2      DPR  20   8.426   7.795  -1.581
  160    HB3  DPR  20           HB1      DPR  20   8.541   6.400  -0.504
  161    HG2  DPR  20           HG2      DPR  20   7.756   6.132  -3.051
  162    HG3  DPR  20           HG1      DPR  20   7.070   5.141  -1.753
  163    HD2  DPR  20           HD2      DPR  20   5.884   7.482  -3.174
  164    HD3  DPR  20           HD1      DPR  20   5.097   6.014  -2.556
  165    HA   PRO  21           HA       PRO  21   6.985   5.861   3.537
  166    HB2  PRO  21           HB2      PRO  21   6.897   7.766   5.401
  167    HB3  PRO  21           HB1      PRO  21   8.363   7.485   4.456
  168    HG2  PRO  21           HG2      PRO  21   6.274   9.598   4.120
  169    HG3  PRO  21           HG1      PRO  21   8.038   9.742   4.018
  170    HD2  PRO  21           HD2      PRO  21   6.365   9.516   1.836
  171    HD3  PRO  21           HD1      PRO  21   8.079   9.060   1.836
  172    H    ARG  22           HN       ARG  22   4.519   7.752   2.246
  173    HA   ARG  22           HA       ARG  22   2.686   7.221   4.477
  174    HB2  ARG  22           HB2      ARG  22   2.346   8.953   2.027
  175    HB3  ARG  22           HB1      ARG  22   1.114   8.708   3.255
  176    HG2  ARG  22           HG2      ARG  22   2.795   9.635   4.916
  177    HG3  ARG  22           HG1      ARG  22   3.740  10.132   3.511
  178    HD2  ARG  22           HD2      ARG  22   2.336  11.962   4.276
  179    HD3  ARG  22           HD1      ARG  22   1.827  11.414   2.679
  180    HE   ARG  22           HE       ARG  22   0.432  10.423   5.070
  181   HH11  ARG  22          HH11      ARG  22   0.387  12.217   2.061
  182   HH12  ARG  22          HH12      ARG  22  -1.338  12.394   2.051
  183   HH21  ARG  22          HH21      ARG  22  -2.603  11.504   3.750
  184   HH22  ARG  22          HH22      ARG  22  -1.840  10.646   5.052
  185    H    TYR  23           HN       TYR  23   0.877   5.990   4.258
  186    HA   TYR  23           HA       TYR  23   0.367   4.760   1.655
  187    HB2  TYR  23           HB2      TYR  23   0.566   3.214   4.243
  188    HB3  TYR  23           HB1      TYR  23   0.114   2.556   2.674
  189    HD1  TYR  23           HD1      TYR  23   2.850   3.536   4.831
  190    HD2  TYR  23           HD2      TYR  23   1.800   2.456   0.855
  191    HE1  TYR  23           HE1      TYR  23   5.213   3.092   4.334
  192    HE2  TYR  23           HE2      TYR  23   4.163   2.007   0.349
  193    HH   TYR  23           HH       TYR  23   6.369   2.646   1.157
  194    H    GLU  24           HN       GLU  24  -1.653   5.043   1.135
  195    HA   GLU  24           HA       GLU  24  -3.616   5.574   3.242
  196    HB2  GLU  24           HB2      GLU  24  -3.439   6.282   0.341
  197    HB3  GLU  24           HB1      GLU  24  -5.016   6.210   1.113
  198    HG2  GLU  24           HG2      GLU  24  -2.719   7.886   2.091
  199    HG3  GLU  24           HG1      GLU  24  -4.031   8.474   1.066
  200    H    VAL  25           HN       VAL  25  -4.560   3.793   3.933
  201    HA   VAL  25           HA       VAL  25  -5.283   1.709   2.000
  202    HB   VAL  25           HB       VAL  25  -5.170   1.577   5.020
  203   HG11  VAL  25          HG11      VAL  25  -5.540  -0.829   4.740
  204   HG12  VAL  25          HG12      VAL  25  -5.733  -0.595   3.004
  205   HG13  VAL  25          HG13      VAL  25  -6.898   0.111   4.122
  206   HG21  VAL  25          HG21      VAL  25  -3.360   0.361   2.937
  207   HG22  VAL  25          HG22      VAL  25  -3.248   0.098   4.677
  208   HG23  VAL  25          HG23      VAL  25  -2.956   1.704   4.006
  209    H    HIS  26           HN       HIS  26  -7.243   2.050   1.200
  210    HA   HIS  26           HA       HIS  26  -9.357   2.948   3.042
  211    HB2  HIS  26           HB2      HIS  26  -8.972   3.482   0.102
  212    HB3  HIS  26           HB1      HIS  26 -10.499   3.769   0.918
  213    HD1  HIS  26           HD1      HIS  26 -10.751   5.984   2.067
  214    HD2  HIS  26           HD2      HIS  26  -6.795   5.110   1.158
  215    HE1  HIS  26           HE1      HIS  26  -9.454   8.063   2.625
  216    HE2  HIS  26           HE2      HIS  26  -7.039   7.438   2.274
  217    H    CYS  27           HN       CYS  27 -10.295   1.097   3.681
  218    HA   CYS  27           HA       CYS  27 -10.883  -0.984   1.737
  219    HB2  CYS  27           HB2      CYS  27 -11.303  -0.888   4.727
  220    HB3  CYS  27           HB1      CYS  27 -11.617  -2.286   3.706
  221    HN1  NH2  28           HN1      NH2  28 -12.481  -0.068   0.514
  222    HN2  NH2  28           HN2      NH2  28 -14.064   0.272   1.117
  Start of MODEL    6
    1    H1   ASN   1           HT1      ASN   1  10.809  -1.513  -2.292
    2    H2   ASN   1           HT2      ASN   1  10.278  -0.514  -1.032
    3    H3   ASN   1           HT3      ASN   1  10.701   0.160  -2.521
    4    HA   ASN   1           HA       ASN   1   8.315   0.076  -2.254
    5    HB2  ASN   1           HB2      ASN   1   9.463  -1.792  -4.337
    6    HB3  ASN   1           HB1      ASN   1   7.804  -1.209  -4.352
    7   HD21  ASN   1          HD21      ASN   1   8.081  -0.188  -6.325
    8   HD22  ASN   1          HD22      ASN   1   9.000   1.269  -6.489
    9    H    ASP   2           HN       ASP   2   9.765  -2.261  -0.652
   10    HA   ASP   2           HA       ASP   2   8.135  -4.538  -1.001
   11    HB2  ASP   2           HB2      ASP   2  10.314  -4.705   0.086
   12    HB3  ASP   2           HB1      ASP   2   9.756  -3.681   1.403
   13    H    LYS   3           HN       LYS   3   7.785  -1.657   0.955
   14    HA   LYS   3           HA       LYS   3   5.801  -2.675   2.699
   15    HB2  LYS   3           HB2      LYS   3   6.498   0.155   1.922
   16    HB3  LYS   3           HB1      LYS   3   5.314  -0.251   3.156
   17    HG2  LYS   3           HG2      LYS   3   7.061  -1.407   4.433
   18    HG3  LYS   3           HG1      LYS   3   8.244  -0.950   3.208
   19    HD2  LYS   3           HD2      LYS   3   7.828   1.407   3.666
   20    HD3  LYS   3           HD1      LYS   3   6.612   0.968   4.867
   21    HE2  LYS   3           HE2      LYS   3   8.356  -0.225   6.142
   22    HE3  LYS   3           HE1      LYS   3   9.554   0.322   4.972
   23    HZ1  LYS   3           HZ1      LYS   3   9.141   2.582   5.595
   24    HZ2  LYS   3           HZ2      LYS   3   9.452   1.693   6.998
   25    HZ3  LYS   3           HZ3      LYS   3   7.868   2.131   6.612
   26    H    CYS   4           HN       CYS   4   5.592  -0.726  -0.267
   27    HA   CYS   4           HA       CYS   4   2.789  -0.498  -0.298
   28    HB2  CYS   4           HB2      CYS   4   4.266   0.887  -1.701
   29    HB3  CYS   4           HB1      CYS   4   4.703  -0.534  -2.640
   30    H    LYS   5           HN       LYS   5   4.981  -2.851  -1.715
   31    HA   LYS   5           HA       LYS   5   3.118  -4.416  -3.094
   32    HB2  LYS   5           HB2      LYS   5   5.468  -4.681  -3.502
   33    HB3  LYS   5           HB1      LYS   5   5.769  -5.082  -1.821
   34    HG2  LYS   5           HG2      LYS   5   4.251  -7.113  -2.246
   35    HG3  LYS   5           HG1      LYS   5   4.503  -6.756  -3.956
   36    HD2  LYS   5           HD2      LYS   5   6.109  -8.419  -3.147
   37    HD3  LYS   5           HD1      LYS   5   6.922  -6.931  -3.641
   38    HE2  LYS   5           HE2      LYS   5   7.100  -6.226  -1.333
   39    HE3  LYS   5           HE1      LYS   5   6.182  -7.628  -0.801
   40    HZ1  LYS   5           HZ1      LYS   5   8.589  -7.847  -0.487
   41    HZ2  LYS   5           HZ2      LYS   5   8.812  -7.750  -2.163
   42    HZ3  LYS   5           HZ3      LYS   5   7.957  -9.051  -1.498
   43    H    GLU   6           HN       GLU   6   4.397  -4.712   0.206
   44    HA   GLU   6           HA       GLU   6   2.987  -7.079   0.835
   45    HB2  GLU   6           HB2      GLU   6   5.004  -6.312   2.045
   46    HB3  GLU   6           HB1      GLU   6   4.079  -4.972   2.710
   47    HG2  GLU   6           HG2      GLU   6   2.582  -6.606   3.808
   48    HG3  GLU   6           HG1      GLU   6   3.616  -7.903   3.213
   49    H    LEU   7           HN       LEU   7   2.246  -3.655   1.258
   50    HA   LEU   7           HA       LEU   7  -0.070  -4.061   2.837
   51    HB2  LEU   7           HB2      LEU   7   0.814  -1.755   1.116
   52    HB3  LEU   7           HB1      LEU   7  -0.628  -1.717   2.112
   53    HG   LEU   7           HG       LEU   7   2.134  -2.203   3.223
   54   HD11  LEU   7          HD11      LEU   7   0.563   0.367   3.092
   55   HD12  LEU   7          HD12      LEU   7   2.053   0.016   2.220
   56   HD13  LEU   7          HD13      LEU   7   2.067   0.128   3.980
   57   HD21  LEU   7          HD21      LEU   7   0.317  -3.037   4.615
   58   HD22  LEU   7          HD22      LEU   7  -0.483  -1.467   4.530
   59   HD23  LEU   7          HD23      LEU   7   1.069  -1.623   5.352
   60    H    LYS   8           HN       LYS   8   0.411  -3.582  -0.648
   61    HA   LYS   8           HA       LYS   8  -2.364  -3.694  -1.269
   62    HB2  LYS   8           HB2      LYS   8   0.096  -4.061  -2.973
   63    HB3  LYS   8           HB1      LYS   8  -1.534  -4.135  -3.625
   64    HG2  LYS   8           HG2      LYS   8  -1.946  -1.850  -2.928
   65    HG3  LYS   8           HG1      LYS   8  -0.345  -1.764  -2.195
   66    HD2  LYS   8           HD2      LYS   8  -0.254  -0.682  -4.328
   67    HD3  LYS   8           HD1      LYS   8   0.632  -2.202  -4.442
   68    HE2  LYS   8           HE2      LYS   8  -1.367  -3.246  -5.461
   69    HE3  LYS   8           HE1      LYS   8  -2.174  -1.680  -5.418
   70    HZ1  LYS   8           HZ1      LYS   8   0.277  -2.361  -6.946
   71    HZ2  LYS   8           HZ2      LYS   8  -0.386  -0.809  -6.848
   72    HZ3  LYS   8           HZ3      LYS   8  -1.257  -2.059  -7.587
   73    H    LYS   9           HN       LYS   9   0.146  -6.091  -0.923
   74    HA   LYS   9           HA       LYS   9  -1.329  -8.278  -1.998
   75    HB2  LYS   9           HB2      LYS   9   1.128  -8.270  -1.777
   76    HB3  LYS   9           HB1      LYS   9   0.968  -8.233  -0.029
   77    HG2  LYS   9           HG2      LYS   9  -0.182 -10.436  -0.155
   78    HG3  LYS   9           HG1      LYS   9   0.190 -10.470  -1.881
   79    HD2  LYS   9           HD2      LYS   9   2.584 -10.264  -1.343
   80    HD3  LYS   9           HD1      LYS   9   2.186 -10.303   0.374
   81    HE2  LYS   9           HE2      LYS   9   2.880 -12.494  -0.260
   82    HE3  LYS   9           HE1      LYS   9   1.136 -12.539  -0.005
   83    HZ1  LYS   9           HZ1      LYS   9   1.802 -13.735  -2.002
   84    HZ2  LYS   9           HZ2      LYS   9   2.477 -12.324  -2.644
   85    HZ3  LYS   9           HZ3      LYS   9   0.809 -12.420  -2.385
   86    H    ARG  10           HN       ARG  10  -0.805  -7.001   1.244
   87    HA   ARG  10           HA       ARG  10  -2.155  -9.040   2.651
   88    HB2  ARG  10           HB2      ARG  10  -0.525  -7.371   3.608
   89    HB3  ARG  10           HB1      ARG  10  -1.804  -6.170   3.521
   90    HG2  ARG  10           HG2      ARG  10  -3.184  -7.705   4.963
   91    HG3  ARG  10           HG1      ARG  10  -1.711  -8.649   5.210
   92    HD2  ARG  10           HD2      ARG  10  -2.155  -5.752   5.925
   93    HD3  ARG  10           HD1      ARG  10  -2.012  -7.103   7.045
   94    HE   ARG  10           HE       ARG  10   0.324  -6.990   5.496
   95   HH11  ARG  10          HH11      ARG  10   0.107  -4.442   8.597
   96   HH12  ARG  10          HH12      ARG  10  -1.340  -5.172   7.979
   97   HH21  ARG  10          HH21      ARG  10   2.251  -6.025   6.320
   98   HH22  ARG  10          HH22      ARG  10   2.135  -4.930   7.663
   99    H    TYR  11           HN       TYR  11  -3.178  -5.772   1.689
  100    HA   TYR  11           HA       TYR  11  -5.881  -6.359   2.597
  101    HB2  TYR  11           HB2      TYR  11  -4.681  -3.794   1.546
  102    HB3  TYR  11           HB1      TYR  11  -6.298  -3.969   2.221
  103    HD1  TYR  11           HD1      TYR  11  -6.513  -4.701   4.639
  104    HD2  TYR  11           HD2      TYR  11  -2.837  -3.397   2.944
  105    HE1  TYR  11           HE1      TYR  11  -5.625  -4.286   6.890
  106    HE2  TYR  11           HE2      TYR  11  -1.944  -2.977   5.192
  107    HH   TYR  11           HH       TYR  11  -2.854  -2.487   7.476
  108    H    AIB  12           HN       AIB  12  -5.611  -7.995   0.668
  109   HB11  AIB  12          HB11      AIB  12  -7.178  -9.586  -0.525
  110   HB12  AIB  12          HB12      AIB  12  -5.573  -9.575  -1.255
  111   HB13  AIB  12          HB13      AIB  12  -7.007  -9.461  -2.275
  112   HB21  AIB  12          HB21      AIB  12  -6.117  -7.424  -3.294
  113   HB22  AIB  12          HB22      AIB  12  -4.687  -7.590  -2.278
  114   HB23  AIB  12          HB23      AIB  12  -5.592  -6.078  -2.281
  115    H    GLY  13           HN       GLY  13  -7.484  -5.953  -2.870
  116    HA2  GLY  13           HA2      GLY  13  -9.788  -5.701  -3.494
  117    HA3  GLY  13           HA1      GLY  13 -10.238  -6.268  -1.894
  118    H    CYS  14           HN       CYS  14  -7.982  -4.444  -0.850
  119    HA   CYS  14           HA       CYS  14  -9.709  -2.099  -0.619
  120    HB2  CYS  14           HB2      CYS  14  -7.175  -2.779   0.872
  121    HB3  CYS  14           HB1      CYS  14  -8.266  -1.451   1.237
  122    H    GLU  15           HN       GLU  15  -8.912   0.012  -0.925
  123    HA   GLU  15           HA       GLU  15  -6.983   0.205  -3.080
  124    HB2  GLU  15           HB2      GLU  15  -8.615   2.347  -1.710
  125    HB3  GLU  15           HB1      GLU  15  -7.650   2.566  -3.160
  126    HG2  GLU  15           HG2      GLU  15 -10.044   0.762  -2.908
  127    HG3  GLU  15           HG1      GLU  15 -10.022   2.352  -3.667
  128    H    VAL  16           HN       VAL  16  -4.913   0.151  -2.463
  129    HA   VAL  16           HA       VAL  16  -4.145   1.546  -0.002
  130    HB   VAL  16           HB       VAL  16  -2.525  -0.389  -1.665
  131   HG11  VAL  16          HG11      VAL  16  -0.977  -0.393   0.228
  132   HG12  VAL  16          HG12      VAL  16  -1.970   0.813   1.046
  133   HG13  VAL  16          HG13      VAL  16  -1.141   1.224  -0.457
  134   HG21  VAL  16          HG21      VAL  16  -4.028  -0.779   0.916
  135   HG22  VAL  16          HG22      VAL  16  -2.864  -1.928   0.264
  136   HG23  VAL  16          HG23      VAL  16  -4.342  -1.569  -0.628
  137    H    ARG  17           HN       ARG  17  -3.572   3.575  -0.299
  138    HA   ARG  17           HA       ARG  17  -2.381   4.487  -2.775
  139    HB2  ARG  17           HB2      ARG  17  -2.867   5.948  -0.179
  140    HB3  ARG  17           HB1      ARG  17  -2.276   6.687  -1.652
  141    HG2  ARG  17           HG2      ARG  17  -4.379   6.142  -2.769
  142    HG3  ARG  17           HG1      ARG  17  -4.974   5.405  -1.280
  143    HD2  ARG  17           HD2      ARG  17  -4.753   7.539  -0.122
  144    HD3  ARG  17           HD1      ARG  17  -4.120   8.281  -1.588
  145    HE   ARG  17           HE       ARG  17  -6.572   7.249  -2.286
  146   HH11  ARG  17          HH11      ARG  17  -5.383   9.528   0.106
  147   HH12  ARG  17          HH12      ARG  17  -6.815  10.515   0.061
  148   HH21  ARG  17          HH21      ARG  17  -8.461   8.541  -2.340
  149   HH22  ARG  17          HH22      ARG  17  -8.568   9.950  -1.333
  150    H    CYS  18           HN       CYS  18  -0.285   4.489  -3.174
  151    HA   CYS  18           HA       CYS  18   1.581   4.296  -0.913
  152    HB2  CYS  18           HB2      CYS  18   1.925   3.299  -3.745
  153    HB3  CYS  18           HB1      CYS  18   3.130   3.182  -2.470
  154    H    ASP  19           HN       ASP  19   2.398   6.263  -0.564
  155    HA   ASP  19           HA       ASP  19   3.464   7.737  -2.867
  156    HB2  ASP  19           HB2      ASP  19   1.817   8.874  -0.606
  157    HB3  ASP  19           HB1      ASP  19   2.792   9.867  -1.684
  158    HA   DPR  20           HA       DPR  20   7.150   8.264  -0.464
  159    HB2  DPR  20           HB2      DPR  20   8.715   7.023  -1.526
  160    HB3  DPR  20           HB1      DPR  20   7.902   5.508  -1.127
  161    HG2  DPR  20           HG2      DPR  20   7.462   7.345  -3.432
  162    HG3  DPR  20           HG1      DPR  20   7.432   5.573  -3.388
  163    HD2  DPR  20           HD2      DPR  20   5.174   7.013  -3.468
  164    HD3  DPR  20           HD1      DPR  20   5.276   5.511  -2.528
  165    HA   PRO  21           HA       PRO  21   6.878   5.713   3.230
  166    HB2  PRO  21           HB2      PRO  21   7.095   7.686   5.004
  167    HB3  PRO  21           HB1      PRO  21   8.483   7.196   4.024
  168    HG2  PRO  21           HG2      PRO  21   6.634   9.524   3.655
  169    HG3  PRO  21           HG1      PRO  21   8.399   9.466   3.510
  170    HD2  PRO  21           HD2      PRO  21   6.661   9.342   1.377
  171    HD3  PRO  21           HD1      PRO  21   8.312   8.695   1.361
  172    H    ARG  22           HN       ARG  22   4.630   7.720   1.832
  173    HA   ARG  22           HA       ARG  22   2.793   7.670   4.121
  174    HB2  ARG  22           HB2      ARG  22   2.598   9.088   1.462
  175    HB3  ARG  22           HB1      ARG  22   1.384   9.167   2.729
  176    HG2  ARG  22           HG2      ARG  22   2.894  10.302   4.197
  177    HG3  ARG  22           HG1      ARG  22   4.236  10.062   3.076
  178    HD2  ARG  22           HD2      ARG  22   1.751  11.667   2.490
  179    HD3  ARG  22           HD1      ARG  22   3.300  12.347   2.986
  180    HE   ARG  22           HE       ARG  22   3.999  10.934   0.820
  181   HH11  ARG  22          HH11      ARG  22   1.356  13.170   1.342
  182   HH12  ARG  22          HH12      ARG  22   1.351  13.744  -0.295
  183   HH21  ARG  22          HH21      ARG  22   2.855  12.898  -1.823
  184   HH22  ARG  22          HH22      ARG  22   4.001  11.690  -1.332
  185    H    TYR  23           HN       TYR  23   1.180   6.250   4.221
  186    HA   TYR  23           HA       TYR  23   0.327   4.917   1.755
  187    HB2  TYR  23           HB2      TYR  23   0.932   3.498   4.354
  188    HB3  TYR  23           HB1      TYR  23   0.300   2.754   2.891
  189    HD1  TYR  23           HD1      TYR  23   3.227   3.674   4.693
  190    HD2  TYR  23           HD2      TYR  23   1.748   2.873   0.789
  191    HE1  TYR  23           HE1      TYR  23   5.523   3.305   3.907
  192    HE2  TYR  23           HE2      TYR  23   4.037   2.502  -0.007
  193    HH   TYR  23           HH       TYR  23   6.397   3.371   0.774
  194    H    GLU  24           HN       GLU  24  -1.808   4.714   1.558
  195    HA   GLU  24           HA       GLU  24  -3.447   5.032   3.992
  196    HB2  GLU  24           HB2      GLU  24  -4.076   6.210   1.282
  197    HB3  GLU  24           HB1      GLU  24  -5.116   6.280   2.694
  198    HG2  GLU  24           HG2      GLU  24  -3.241   7.527   3.843
  199    HG3  GLU  24           HG1      GLU  24  -2.490   7.659   2.253
  200    H    VAL  25           HN       VAL  25  -4.252   3.062   4.305
  201    HA   VAL  25           HA       VAL  25  -5.162   1.476   2.040
  202    HB   VAL  25           HB       VAL  25  -5.212   0.844   4.996
  203   HG11  VAL  25          HG11      VAL  25  -5.618  -1.472   4.281
  204   HG12  VAL  25          HG12      VAL  25  -5.723  -0.926   2.609
  205   HG13  VAL  25          HG13      VAL  25  -6.920  -0.390   3.786
  206   HG21  VAL  25          HG21      VAL  25  -3.313  -0.079   2.843
  207   HG22  VAL  25          HG22      VAL  25  -3.311  -0.622   4.520
  208   HG23  VAL  25          HG23      VAL  25  -2.937   1.057   4.135
  209    H    HIS  26           HN       HIS  26  -7.162   1.723   1.284
  210    HA   HIS  26           HA       HIS  26  -9.254   2.579   3.176
  211    HB2  HIS  26           HB2      HIS  26  -8.583   4.253   1.384
  212    HB3  HIS  26           HB1      HIS  26  -9.259   3.134   0.213
  213    HD1  HIS  26           HD1      HIS  26 -11.819   2.994   0.037
  214    HD2  HIS  26           HD2      HIS  26 -10.464   5.582   2.991
  215    HE1  HIS  26           HE1      HIS  26 -13.835   4.300   0.767
  216    HE2  HIS  26           HE2      HIS  26 -12.945   5.997   2.398
  217    H    CYS  27           HN       CYS  27 -10.263   0.723   3.674
  218    HA   CYS  27           HA       CYS  27 -10.992  -1.125   1.533
  219    HB2  CYS  27           HB2      CYS  27 -11.294  -1.375   4.534
  220    HB3  CYS  27           HB1      CYS  27 -11.696  -2.623   3.362
  221    HN1  NH2  28           HN1      NH2  28 -12.621  -0.087   0.495
  222    HN2  NH2  28           HN2      NH2  28 -14.137   0.319   1.221
  Start of MODEL    7
    1    H1   ASN   1           HT1      ASN   1  11.289  -4.610  -0.345
    2    H2   ASN   1           HT2      ASN   1  12.900  -4.126  -0.512
    3    H3   ASN   1           HT3      ASN   1  11.969  -4.440  -1.886
    4    HA   ASN   1           HA       ASN   1  11.478  -2.272   0.062
    5    HB2  ASN   1           HB2      ASN   1  12.692  -2.230  -2.705
    6    HB3  ASN   1           HB1      ASN   1  12.133  -0.788  -1.865
    7   HD21  ASN   1          HD21      ASN   1  14.175   0.116  -1.846
    8   HD22  ASN   1          HD22      ASN   1  15.438  -0.468  -0.816
    9    H    ASP   2           HN       ASP   2   9.870  -4.458  -1.570
   10    HA   ASP   2           HA       ASP   2   8.074  -2.717  -3.039
   11    HB2  ASP   2           HB2      ASP   2   6.883  -4.815  -3.609
   12    HB3  ASP   2           HB1      ASP   2   8.588  -4.882  -4.023
   13    H    LYS   3           HN       LYS   3   7.971  -1.736  -0.678
   14    HA   LYS   3           HA       LYS   3   6.438  -2.993   1.310
   15    HB2  LYS   3           HB2      LYS   3   6.877  -0.051   0.788
   16    HB3  LYS   3           HB1      LYS   3   6.169  -0.712   2.253
   17    HG2  LYS   3           HG2      LYS   3   8.247  -1.883   2.745
   18    HG3  LYS   3           HG1      LYS   3   8.960  -1.251   1.260
   19    HD2  LYS   3           HD2      LYS   3   9.673   0.057   3.192
   20    HD3  LYS   3           HD1      LYS   3   8.689   1.035   2.103
   21    HE2  LYS   3           HE2      LYS   3   6.739   0.656   3.548
   22    HE3  LYS   3           HE1      LYS   3   7.741  -0.300   4.637
   23    HZ1  LYS   3           HZ1      LYS   3   9.069   1.646   5.088
   24    HZ2  LYS   3           HZ2      LYS   3   7.446   1.969   5.423
   25    HZ3  LYS   3           HZ3      LYS   3   8.153   2.571   4.008
   26    H    CYS   4           HN       CYS   4   5.535  -0.752  -1.267
   27    HA   CYS   4           HA       CYS   4   2.838  -0.456  -0.543
   28    HB2  CYS   4           HB2      CYS   4   3.980   1.030  -2.136
   29    HB3  CYS   4           HB1      CYS   4   4.103  -0.294  -3.285
   30    H    LYS   5           HN       LYS   5   4.511  -2.819  -2.538
   31    HA   LYS   5           HA       LYS   5   2.207  -4.145  -3.511
   32    HB2  LYS   5           HB2      LYS   5   4.463  -4.350  -4.529
   33    HB3  LYS   5           HB1      LYS   5   4.998  -5.237  -3.109
   34    HG2  LYS   5           HG2      LYS   5   4.552  -6.828  -4.794
   35    HG3  LYS   5           HG1      LYS   5   3.237  -6.941  -3.625
   36    HD2  LYS   5           HD2      LYS   5   1.809  -5.607  -5.084
   37    HD3  LYS   5           HD1      LYS   5   3.131  -5.439  -6.240
   38    HE2  LYS   5           HE2      LYS   5   3.158  -7.902  -6.496
   39    HE3  LYS   5           HE1      LYS   5   1.759  -7.995  -5.429
   40    HZ1  LYS   5           HZ1      LYS   5   1.111  -8.063  -7.750
   41    HZ2  LYS   5           HZ2      LYS   5   1.847  -6.568  -8.029
   42    HZ3  LYS   5           HZ3      LYS   5   0.504  -6.669  -7.007
   43    H    GLU   6           HN       GLU   6   4.313  -4.633  -0.726
   44    HA   GLU   6           HA       GLU   6   3.148  -7.001   0.246
   45    HB2  GLU   6           HB2      GLU   6   4.515  -4.759   1.751
   46    HB3  GLU   6           HB1      GLU   6   4.093  -6.312   2.455
   47    HG2  GLU   6           HG2      GLU   6   5.562  -7.408   0.784
   48    HG3  GLU   6           HG1      GLU   6   6.060  -5.812   0.231
   49    H    LEU   7           HN       LEU   7   2.429  -3.598   0.886
   50    HA   LEU   7           HA       LEU   7   0.407  -4.111   2.803
   51    HB2  LEU   7           HB2      LEU   7   0.877  -1.704   1.059
   52    HB3  LEU   7           HB1      LEU   7  -0.247  -1.758   2.399
   53    HG   LEU   7           HG       LEU   7   2.750  -2.070   2.594
   54   HD11  LEU   7          HD11      LEU   7   2.049   0.217   2.108
   55   HD12  LEU   7          HD12      LEU   7   2.677   0.074   3.749
   56   HD13  LEU   7          HD13      LEU   7   0.938   0.172   3.478
   57   HD21  LEU   7          HD21      LEU   7   1.663  -3.408   4.295
   58   HD22  LEU   7          HD22      LEU   7   0.636  -2.049   4.746
   59   HD23  LEU   7          HD23      LEU   7   2.372  -1.972   5.030
   60    H    LYS   8           HN       LYS   8   0.360  -3.642  -0.692
   61    HA   LYS   8           HA       LYS   8  -2.450  -3.672  -0.986
   62    HB2  LYS   8           HB2      LYS   8  -0.199  -4.331  -2.868
   63    HB3  LYS   8           HB1      LYS   8  -1.879  -4.488  -3.353
   64    HG2  LYS   8           HG2      LYS   8  -2.246  -2.126  -2.931
   65    HG3  LYS   8           HG1      LYS   8  -0.580  -1.949  -2.380
   66    HD2  LYS   8           HD2      LYS   8  -0.852  -1.185  -4.685
   67    HD3  LYS   8           HD1      LYS   8   0.229  -2.574  -4.589
   68    HE2  LYS   8           HE2      LYS   8  -1.554  -4.048  -5.308
   69    HE3  LYS   8           HE1      LYS   8  -2.695  -2.707  -5.310
   70    HZ1  LYS   8           HZ1      LYS   8  -0.307  -2.938  -7.055
   71    HZ2  LYS   8           HZ2      LYS   8  -1.422  -1.667  -7.068
   72    HZ3  LYS   8           HZ3      LYS   8  -1.904  -3.219  -7.531
   73    H    LYS   9           HN       LYS   9  -0.034  -6.218  -0.893
   74    HA   LYS   9           HA       LYS   9  -1.800  -8.343  -1.534
   75    HB2  LYS   9           HB2      LYS   9   0.674  -8.447  -1.756
   76    HB3  LYS   9           HB1      LYS   9   0.808  -8.415  -0.003
   77    HG2  LYS   9           HG2      LYS   9  -0.438 -10.538   0.106
   78    HG3  LYS   9           HG1      LYS   9  -0.486 -10.573  -1.657
   79    HD2  LYS   9           HD2      LYS   9   1.316 -11.977  -0.915
   80    HD3  LYS   9           HD1      LYS   9   2.000 -10.535  -1.668
   81    HE2  LYS   9           HE2      LYS   9   3.195 -11.109   0.379
   82    HE3  LYS   9           HE1      LYS   9   2.378  -9.555   0.534
   83    HZ1  LYS   9           HZ1      LYS   9   2.070 -10.866   2.514
   84    HZ2  LYS   9           HZ2      LYS   9   1.426 -12.146   1.621
   85    HZ3  LYS   9           HZ3      LYS   9   0.586 -10.686   1.727
   86    H    ARG  10           HN       ARG  10  -0.720  -6.873   1.470
   87    HA   ARG  10           HA       ARG  10  -1.906  -8.751   3.227
   88    HB2  ARG  10           HB2      ARG  10  -0.097  -7.178   3.856
   89    HB3  ARG  10           HB1      ARG  10  -1.234  -5.847   3.719
   90    HG2  ARG  10           HG2      ARG  10  -2.533  -6.691   5.554
   91    HG3  ARG  10           HG1      ARG  10  -1.530  -8.147   5.642
   92    HD2  ARG  10           HD2      ARG  10  -0.616  -5.308   6.130
   93    HD3  ARG  10           HD1      ARG  10  -0.890  -6.539   7.366
   94    HE   ARG  10           HE       ARG  10   0.926  -7.699   5.718
   95   HH11  ARG  10          HH11      ARG  10   2.559  -4.530   7.562
   96   HH12  ARG  10          HH12      ARG  10   0.837  -4.626   7.396
   97   HH21  ARG  10          HH21      ARG  10   3.197  -7.565   5.940
   98   HH22  ARG  10          HH22      ARG  10   3.895  -6.201   6.754
   99    H    TYR  11           HN       TYR  11  -2.967  -5.583   2.035
  100    HA   TYR  11           HA       TYR  11  -5.552  -5.913   3.327
  101    HB2  TYR  11           HB2      TYR  11  -4.387  -3.655   1.697
  102    HB3  TYR  11           HB1      TYR  11  -5.991  -3.638   2.417
  103    HD1  TYR  11           HD1      TYR  11  -6.197  -3.799   4.914
  104    HD2  TYR  11           HD2      TYR  11  -2.488  -3.070   2.973
  105    HE1  TYR  11           HE1      TYR  11  -5.276  -2.929   7.017
  106    HE2  TYR  11           HE2      TYR  11  -1.553  -2.202   5.069
  107    HH   TYR  11           HH       TYR  11  -2.527  -1.118   7.207
  108    H    AIB  12           HN       AIB  12  -5.582  -7.898   1.783
  109   HB11  AIB  12          HB11      AIB  12  -7.285  -9.880  -0.651
  110   HB12  AIB  12          HB12      AIB  12  -7.290  -9.629   1.095
  111   HB13  AIB  12          HB13      AIB  12  -5.763  -9.846   0.238
  112   HB21  AIB  12          HB21      AIB  12  -6.411  -8.179  -2.150
  113   HB22  AIB  12          HB22      AIB  12  -4.905  -8.135  -1.237
  114   HB23  AIB  12          HB23      AIB  12  -5.806  -6.646  -1.520
  115    H    GLY  13           HN       GLY  13  -7.766  -6.697  -2.003
  116    HA2  GLY  13           HA2      GLY  13 -10.063  -6.402  -2.478
  117    HA3  GLY  13           HA1      GLY  13 -10.428  -6.728  -0.794
  118    H    CYS  14           HN       CYS  14  -8.016  -4.734  -0.349
  119    HA   CYS  14           HA       CYS  14  -9.748  -2.358  -0.443
  120    HB2  CYS  14           HB2      CYS  14  -7.302  -2.826   1.258
  121    HB3  CYS  14           HB1      CYS  14  -8.413  -1.470   1.374
  122    H    GLU  15           HN       GLU  15  -8.844  -0.353  -1.061
  123    HA   GLU  15           HA       GLU  15  -6.741  -0.573  -3.049
  124    HB2  GLU  15           HB2      GLU  15  -8.289   1.859  -2.146
  125    HB3  GLU  15           HB1      GLU  15  -7.269   1.748  -3.568
  126    HG2  GLU  15           HG2      GLU  15  -8.792   0.196  -4.597
  127    HG3  GLU  15           HG1      GLU  15  -9.780   0.150  -3.137
  128    H    VAL  16           HN       VAL  16  -4.661  -0.184  -2.596
  129    HA   VAL  16           HA       VAL  16  -4.079   1.357  -0.164
  130    HB   VAL  16           HB       VAL  16  -2.314  -0.683  -1.521
  131   HG11  VAL  16          HG11      VAL  16  -1.933   0.817   1.070
  132   HG12  VAL  16          HG12      VAL  16  -1.053   1.114  -0.431
  133   HG13  VAL  16          HG13      VAL  16  -0.860  -0.421   0.418
  134   HG21  VAL  16          HG21      VAL  16  -4.168  -1.777  -0.441
  135   HG22  VAL  16          HG22      VAL  16  -3.928  -0.822   1.022
  136   HG23  VAL  16          HG23      VAL  16  -2.720  -2.012   0.539
  137    H    ARG  17           HN       ARG  17  -3.345   3.289  -0.471
  138    HA   ARG  17           HA       ARG  17  -2.089   3.989  -3.029
  139    HB2  ARG  17           HB2      ARG  17  -4.089   5.273  -2.325
  140    HB3  ARG  17           HB1      ARG  17  -3.234   5.770  -0.874
  141    HG2  ARG  17           HG2      ARG  17  -1.576   6.927  -2.261
  142    HG3  ARG  17           HG1      ARG  17  -2.484   6.465  -3.704
  143    HD2  ARG  17           HD2      ARG  17  -3.492   8.169  -1.427
  144    HD3  ARG  17           HD1      ARG  17  -3.034   8.741  -3.030
  145    HE   ARG  17           HE       ARG  17  -4.913   7.264  -3.851
  146   HH11  ARG  17          HH11      ARG  17  -4.943   8.687  -0.632
  147   HH12  ARG  17          HH12      ARG  17  -6.680   8.663  -0.524
  148   HH21  ARG  17          HH21      ARG  17  -7.181   7.240  -3.682
  149   HH22  ARG  17          HH22      ARG  17  -7.945   7.838  -2.244
  150    H    CYS  18           HN       CYS  18   0.052   4.030  -3.020
  151    HA   CYS  18           HA       CYS  18   1.431   4.562  -0.495
  152    HB2  CYS  18           HB2      CYS  18   3.419   3.598  -1.893
  153    HB3  CYS  18           HB1      CYS  18   2.223   2.513  -1.195
  154    H    ASP  19           HN       ASP  19   2.333   6.477  -0.233
  155    HA   ASP  19           HA       ASP  19   3.552   7.776  -2.564
  156    HB2  ASP  19           HB2      ASP  19   1.396   8.915  -1.964
  157    HB3  ASP  19           HB1      ASP  19   2.086   9.270  -0.383
  158    HA   DPR  20           HA       DPR  20   7.098   8.656  -0.016
  159    HB2  DPR  20           HB2      DPR  20   8.823   7.691  -1.142
  160    HB3  DPR  20           HB1      DPR  20   8.083   6.088  -1.089
  161    HG2  DPR  20           HG2      DPR  20   7.625   8.329  -3.010
  162    HG3  DPR  20           HG1      DPR  20   7.739   6.589  -3.325
  163    HD2  DPR  20           HD2      DPR  20   5.375   7.867  -3.232
  164    HD3  DPR  20           HD1      DPR  20   5.557   6.196  -2.660
  165    HA   PRO  21           HA       PRO  21   7.208   5.475   3.175
  166    HB2  PRO  21           HB2      PRO  21   7.578   7.108   5.244
  167    HB3  PRO  21           HB1      PRO  21   8.879   6.809   4.084
  168    HG2  PRO  21           HG2      PRO  21   7.023   9.150   4.288
  169    HG3  PRO  21           HG1      PRO  21   8.767   9.133   3.978
  170    HD2  PRO  21           HD2      PRO  21   6.840   9.366   2.019
  171    HD3  PRO  21           HD1      PRO  21   8.480   8.751   1.742
  172    H    ARG  22           HN       ARG  22   4.781   7.552   2.317
  173    HA   ARG  22           HA       ARG  22   3.199   6.923   4.726
  174    HB2  ARG  22           HB2      ARG  22   2.842   9.230   2.808
  175    HB3  ARG  22           HB1      ARG  22   1.831   8.898   4.208
  176    HG2  ARG  22           HG2      ARG  22   3.795   9.199   5.664
  177    HG3  ARG  22           HG1      ARG  22   4.760   9.601   4.243
  178    HD2  ARG  22           HD2      ARG  22   3.189  11.478   3.796
  179    HD3  ARG  22           HD1      ARG  22   2.387  11.111   5.323
  180    HE   ARG  22           HE       ARG  22   5.144  11.450   5.773
  181   HH11  ARG  22          HH11      ARG  22   2.283  13.301   4.994
  182   HH12  ARG  22          HH12      ARG  22   2.903  14.779   5.654
  183   HH21  ARG  22          HH21      ARG  22   4.998  14.830   6.605
  184   HH22  ARG  22          HH22      ARG  22   5.966  13.391   6.650
  185    H    TYR  23           HN       TYR  23   1.196   6.016   4.497
  186    HA   TYR  23           HA       TYR  23   0.410   5.256   1.772
  187    HB2  TYR  23           HB2      TYR  23   0.496   3.318   4.086
  188    HB3  TYR  23           HB1      TYR  23   0.104   2.956   2.412
  189    HD1  TYR  23           HD1      TYR  23   2.790   3.663   4.779
  190    HD2  TYR  23           HD2      TYR  23   1.843   2.781   0.732
  191    HE1  TYR  23           HE1      TYR  23   5.154   3.147   4.343
  192    HE2  TYR  23           HE2      TYR  23   4.197   2.258   0.285
  193    HH   TYR  23           HH       TYR  23   6.483   1.826   2.751
  194    H    GLU  24           HN       GLU  24  -1.779   4.688   1.522
  195    HA   GLU  24           HA       GLU  24  -3.532   5.245   3.822
  196    HB2  GLU  24           HB2      GLU  24  -4.002   6.172   0.979
  197    HB3  GLU  24           HB1      GLU  24  -5.127   6.365   2.314
  198    HG2  GLU  24           HG2      GLU  24  -3.509   7.804   3.459
  199    HG3  GLU  24           HG1      GLU  24  -2.399   7.620   2.100
  200    H    VAL  25           HN       VAL  25  -5.180   3.818   4.069
  201    HA   VAL  25           HA       VAL  25  -5.455   1.761   1.980
  202    HB   VAL  25           HB       VAL  25  -5.855   1.449   4.961
  203   HG11  VAL  25          HG11      VAL  25  -6.047  -0.593   2.749
  204   HG12  VAL  25          HG12      VAL  25  -7.395   0.053   3.685
  205   HG13  VAL  25          HG13      VAL  25  -6.165  -0.930   4.477
  206   HG21  VAL  25          HG21      VAL  25  -3.889  -0.021   4.851
  207   HG22  VAL  25          HG22      VAL  25  -3.501   1.628   4.357
  208   HG23  VAL  25          HG23      VAL  25  -3.704   0.369   3.141
  209    H    HIS  26           HN       HIS  26  -7.339   1.730   1.004
  210    HA   HIS  26           HA       HIS  26  -9.677   2.878   2.377
  211    HB2  HIS  26           HB2      HIS  26  -8.865   4.326   0.561
  212    HB3  HIS  26           HB1      HIS  26  -8.980   2.987  -0.562
  213    HD1  HIS  26           HD1      HIS  26 -11.015   3.028  -1.959
  214    HD2  HIS  26           HD2      HIS  26 -11.616   4.888   1.720
  215    HE1  HIS  26           HE1      HIS  26 -13.364   3.916  -2.015
  216    HE2  HIS  26           HE2      HIS  26 -13.757   4.878   0.275
  217    H    CYS  27           HN       CYS  27 -10.592   0.990   3.089
  218    HA   CYS  27           HA       CYS  27 -11.040  -1.180   1.210
  219    HB2  CYS  27           HB2      CYS  27 -11.831  -0.887   4.115
  220    HB3  CYS  27           HB1      CYS  27 -12.048  -2.338   3.144
  221    HN1  NH2  28           HN1      NH2  28 -12.454  -0.342  -0.259
  222    HN2  NH2  28           HN2      NH2  28 -14.082   0.096   0.125
  Start of MODEL    8
    1    H1   ASN   1           HT1      ASN   1  10.984  -0.138  -0.470
    2    H2   ASN   1           HT2      ASN   1  11.222   1.388  -1.151
    3    H3   ASN   1           HT3      ASN   1  10.947   0.052  -2.150
    4    HA   ASN   1           HA       ASN   1   9.013   1.140  -0.199
    5    HB2  ASN   1           HB2      ASN   1   9.153   1.443  -3.204
    6    HB3  ASN   1           HB1      ASN   1   7.751   1.874  -2.231
    7   HD21  ASN   1          HD21      ASN   1   9.395   3.557  -3.914
    8   HD22  ASN   1          HD22      ASN   1  10.032   4.796  -2.891
    9    H    ASP   2           HN       ASP   2   9.990  -1.636  -0.699
   10    HA   ASP   2           HA       ASP   2   8.032  -3.050  -2.183
   11    HB2  ASP   2           HB2      ASP   2   9.948  -3.943  -0.030
   12    HB3  ASP   2           HB1      ASP   2   8.862  -5.049  -0.856
   13    H    LYS   3           HN       LYS   3   8.018  -1.658   0.948
   14    HA   LYS   3           HA       LYS   3   6.102  -3.243   2.229
   15    HB2  LYS   3           HB2      LYS   3   6.741  -0.308   2.495
   16    HB3  LYS   3           HB1      LYS   3   5.559  -1.120   3.512
   17    HG2  LYS   3           HG2      LYS   3   7.332  -2.673   4.261
   18    HG3  LYS   3           HG1      LYS   3   8.499  -1.743   3.324
   19    HD2  LYS   3           HD2      LYS   3   7.983   0.247   4.646
   20    HD3  LYS   3           HD1      LYS   3   6.801  -0.676   5.577
   21    HE2  LYS   3           HE2      LYS   3   8.596  -2.173   6.334
   22    HE3  LYS   3           HE1      LYS   3   9.766  -1.209   5.436
   23    HZ1  LYS   3           HZ1      LYS   3   9.201   0.693   6.817
   24    HZ2  LYS   3           HZ2      LYS   3   9.735  -0.599   7.765
   25    HZ3  LYS   3           HZ3      LYS   3   8.087  -0.240   7.682
   26    H    CYS   4           HN       CYS   4   5.797  -0.785  -0.230
   27    HA   CYS   4           HA       CYS   4   3.036  -0.329  -0.081
   28    HB2  CYS   4           HB2      CYS   4   4.409   1.056  -1.513
   29    HB3  CYS   4           HB1      CYS   4   4.884  -0.338  -2.474
   30    H    LYS   5           HN       LYS   5   4.903  -2.785  -1.799
   31    HA   LYS   5           HA       LYS   5   2.651  -3.985  -3.045
   32    HB2  LYS   5           HB2      LYS   5   5.511  -4.804  -2.656
   33    HB3  LYS   5           HB1      LYS   5   4.342  -5.950  -3.289
   34    HG2  LYS   5           HG2      LYS   5   5.544  -4.908  -5.093
   35    HG3  LYS   5           HG1      LYS   5   3.855  -4.414  -5.142
   36    HD2  LYS   5           HD2      LYS   5   4.448  -2.283  -4.107
   37    HD3  LYS   5           HD1      LYS   5   6.137  -2.789  -4.015
   38    HE2  LYS   5           HE2      LYS   5   5.767  -1.320  -5.926
   39    HE3  LYS   5           HE1      LYS   5   6.234  -2.935  -6.450
   40    HZ1  LYS   5           HZ1      LYS   5   4.415  -2.054  -7.774
   41    HZ2  LYS   5           HZ2      LYS   5   3.457  -1.882  -6.393
   42    HZ3  LYS   5           HZ3      LYS   5   3.916  -3.421  -6.915
   43    H    GLU   6           HN       GLU   6   4.497  -4.640  -0.114
   44    HA   GLU   6           HA       GLU   6   3.218  -7.038   0.603
   45    HB2  GLU   6           HB2      GLU   6   4.538  -4.901   2.274
   46    HB3  GLU   6           HB1      GLU   6   3.928  -6.404   2.953
   47    HG2  GLU   6           HG2      GLU   6   6.048  -6.177   0.826
   48    HG3  GLU   6           HG1      GLU   6   6.334  -6.486   2.536
   49    H    LEU   7           HN       LEU   7   2.457  -3.666   1.398
   50    HA   LEU   7           HA       LEU   7   0.226  -4.296   3.041
   51    HB2  LEU   7           HB2      LEU   7   0.944  -1.753   1.586
   52    HB3  LEU   7           HB1      LEU   7  -0.331  -1.890   2.777
   53    HG   LEU   7           HG       LEU   7   2.593  -2.396   3.342
   54   HD11  LEU   7          HD11      LEU   7   2.548  -0.254   4.519
   55   HD12  LEU   7          HD12      LEU   7   0.892   0.012   3.974
   56   HD13  LEU   7          HD13      LEU   7   2.207  -0.053   2.799
   57   HD21  LEU   7          HD21      LEU   7   0.234  -2.119   5.205
   58   HD22  LEU   7          HD22      LEU   7   1.916  -2.332   5.687
   59   HD23  LEU   7          HD23      LEU   7   1.077  -3.621   4.826
   60    H    LYS   8           HN       LYS   8   0.586  -3.400  -0.356
   61    HA   LYS   8           HA       LYS   8  -2.201  -3.257  -0.883
   62    HB2  LYS   8           HB2      LYS   8  -0.245  -2.236  -2.212
   63    HB3  LYS   8           HB1      LYS   8  -0.096  -3.819  -2.956
   64    HG2  LYS   8           HG2      LYS   8  -2.363  -3.663  -3.806
   65    HG3  LYS   8           HG1      LYS   8  -2.572  -2.108  -2.999
   66    HD2  LYS   8           HD2      LYS   8  -0.520  -2.680  -5.134
   67    HD3  LYS   8           HD1      LYS   8  -2.074  -1.898  -5.419
   68    HE2  LYS   8           HE2      LYS   8  -1.433  -0.084  -3.899
   69    HE3  LYS   8           HE1      LYS   8   0.122  -0.866  -3.622
   70    HZ1  LYS   8           HZ1      LYS   8   0.664  -0.579  -5.944
   71    HZ2  LYS   8           HZ2      LYS   8   0.260   0.917  -5.272
   72    HZ3  LYS   8           HZ3      LYS   8  -0.849   0.106  -6.254
   73    H    LYS   9           HN       LYS   9   0.087  -5.856  -0.760
   74    HA   LYS   9           HA       LYS   9  -1.645  -7.744  -2.076
   75    HB2  LYS   9           HB2      LYS   9   0.818  -7.956  -2.134
   76    HB3  LYS   9           HB1      LYS   9   0.828  -8.201  -0.394
   77    HG2  LYS   9           HG2      LYS   9  -0.453 -10.258  -0.670
   78    HG3  LYS   9           HG1      LYS   9  -0.476 -10.010  -2.416
   79    HD2  LYS   9           HD2      LYS   9   1.993 -10.379  -0.725
   80    HD3  LYS   9           HD1      LYS   9   1.253 -11.614  -1.742
   81    HE2  LYS   9           HE2      LYS   9   2.436  -9.002  -2.687
   82    HE3  LYS   9           HE1      LYS   9   3.173 -10.593  -2.850
   83    HZ1  LYS   9           HZ1      LYS   9   0.641  -9.702  -4.120
   84    HZ2  LYS   9           HZ2      LYS   9   1.294 -11.256  -4.243
   85    HZ3  LYS   9           HZ3      LYS   9   2.123  -9.935  -4.898
   86    H    ARG  10           HN       ARG  10  -0.716  -6.983   1.255
   87    HA   ARG  10           HA       ARG  10  -2.156  -9.079   2.484
   88    HB2  ARG  10           HB2      ARG  10  -0.382  -7.851   3.642
   89    HB3  ARG  10           HB1      ARG  10  -1.352  -6.387   3.601
   90    HG2  ARG  10           HG2      ARG  10  -3.021  -7.427   5.030
   91    HG3  ARG  10           HG1      ARG  10  -2.079  -8.921   5.055
   92    HD2  ARG  10           HD2      ARG  10  -1.172  -6.238   6.093
   93    HD3  ARG  10           HD1      ARG  10  -1.725  -7.591   7.081
   94    HE   ARG  10           HE       ARG  10   0.501  -8.205   5.340
   95   HH11  ARG  10          HH11      ARG  10   1.036  -7.469   9.248
   96   HH12  ARG  10          HH12      ARG  10  -0.461  -7.026   8.494
   97   HH21  ARG  10          HH21      ARG  10   2.476  -8.758   6.331
   98   HH22  ARG  10          HH22      ARG  10   2.697  -8.464   8.027
   99    H    TYR  11           HN       TYR  11  -2.982  -5.706   1.810
  100    HA   TYR  11           HA       TYR  11  -5.665  -6.078   2.855
  101    HB2  TYR  11           HB2      TYR  11  -4.256  -3.684   1.680
  102    HB3  TYR  11           HB1      TYR  11  -5.924  -3.664   2.240
  103    HD1  TYR  11           HD1      TYR  11  -6.405  -4.064   4.669
  104    HD2  TYR  11           HD2      TYR  11  -2.453  -3.515   3.197
  105    HE1  TYR  11           HE1      TYR  11  -5.633  -3.566   6.944
  106    HE2  TYR  11           HE2      TYR  11  -1.669  -3.021   5.474
  107    HH   TYR  11           HH       TYR  11  -2.580  -2.217   7.601
  108    H    AIB  12           HN       AIB  12  -5.104  -7.726   0.712
  109   HB11  AIB  12          HB11      AIB  12  -6.676  -9.271  -2.104
  110   HB12  AIB  12          HB12      AIB  12  -6.597  -9.483  -0.354
  111   HB13  AIB  12          HB13      AIB  12  -5.118  -9.230  -1.281
  112   HB21  AIB  12          HB21      AIB  12  -4.564  -7.012  -2.168
  113   HB22  AIB  12          HB22      AIB  12  -5.784  -5.739  -2.155
  114   HB23  AIB  12          HB23      AIB  12  -6.035  -7.195  -3.118
  115    H    GLY  13           HN       GLY  13  -7.738  -6.251  -2.752
  116    HA2  GLY  13           HA2      GLY  13 -10.100  -6.176  -2.959
  117    HA3  GLY  13           HA1      GLY  13 -10.235  -6.636  -1.270
  118    H    CYS  14           HN       CYS  14  -8.035  -4.556  -0.751
  119    HA   CYS  14           HA       CYS  14  -9.851  -2.244  -0.641
  120    HB2  CYS  14           HB2      CYS  14  -7.339  -2.766   0.958
  121    HB3  CYS  14           HB1      CYS  14  -8.477  -1.446   1.202
  122    H    GLU  15           HN       GLU  15  -8.880  -0.122  -0.964
  123    HA   GLU  15           HA       GLU  15  -6.840  -0.203  -3.054
  124    HB2  GLU  15           HB2      GLU  15  -8.577   2.093  -2.135
  125    HB3  GLU  15           HB1      GLU  15  -7.474   2.127  -3.501
  126    HG2  GLU  15           HG2      GLU  15  -8.831   0.293  -4.530
  127    HG3  GLU  15           HG1      GLU  15  -9.989   0.508  -3.220
  128    H    VAL  16           HN       VAL  16  -4.845  -0.108  -2.332
  129    HA   VAL  16           HA       VAL  16  -4.242   1.515   0.032
  130    HB   VAL  16           HB       VAL  16  -2.471  -0.484  -1.387
  131   HG11  VAL  16          HG11      VAL  16  -1.088  -0.317   0.666
  132   HG12  VAL  16          HG12      VAL  16  -2.124   1.000   1.217
  133   HG13  VAL  16          HG13      VAL  16  -1.161   1.190  -0.249
  134   HG21  VAL  16          HG21      VAL  16  -4.238  -1.716  -0.406
  135   HG22  VAL  16          HG22      VAL  16  -4.203  -0.736   1.055
  136   HG23  VAL  16          HG23      VAL  16  -2.875  -1.842   0.709
  137    H    ARG  17           HN       ARG  17  -3.610   3.509  -0.356
  138    HA   ARG  17           HA       ARG  17  -2.414   4.188  -2.920
  139    HB2  ARG  17           HB2      ARG  17  -3.131   5.978  -0.598
  140    HB3  ARG  17           HB1      ARG  17  -2.587   6.517  -2.176
  141    HG2  ARG  17           HG2      ARG  17  -4.615   5.349  -3.129
  142    HG3  ARG  17           HG1      ARG  17  -5.180   5.182  -1.467
  143    HD2  ARG  17           HD2      ARG  17  -6.157   7.152  -2.485
  144    HD3  ARG  17           HD1      ARG  17  -5.045   7.624  -1.198
  145    HE   ARG  17           HE       ARG  17  -3.722   7.571  -3.712
  146   HH11  ARG  17          HH11      ARG  17  -5.979   9.468  -1.831
  147   HH12  ARG  17          HH12      ARG  17  -5.527  10.973  -2.570
  148   HH21  ARG  17          HH21      ARG  17  -3.139   9.525  -4.705
  149   HH22  ARG  17          HH22      ARG  17  -3.905  11.006  -4.218
  150    H    CYS  18           HN       CYS  18  -0.323   4.447  -3.230
  151    HA   CYS  18           HA       CYS  18   1.426   4.439  -0.875
  152    HB2  CYS  18           HB2      CYS  18   1.925   3.375  -3.656
  153    HB3  CYS  18           HB1      CYS  18   3.123   3.412  -2.370
  154    H    ASP  19           HN       ASP  19   2.250   6.376  -0.507
  155    HA   ASP  19           HA       ASP  19   3.404   7.834  -2.783
  156    HB2  ASP  19           HB2      ASP  19   1.308   8.950  -1.996
  157    HB3  ASP  19           HB1      ASP  19   2.052   9.137  -0.411
  158    HA   DPR  20           HA       DPR  20   7.102   8.203  -0.388
  159    HB2  DPR  20           HB2      DPR  20   8.308   7.340  -2.114
  160    HB3  DPR  20           HB1      DPR  20   8.344   5.882  -1.116
  161    HG2  DPR  20           HG2      DPR  20   7.329   5.839  -3.592
  162    HG3  DPR  20           HG1      DPR  20   6.625   4.875  -2.281
  163    HD2  DPR  20           HD2      DPR  20   5.643   7.416  -3.502
  164    HD3  DPR  20           HD1      DPR  20   4.724   6.023  -2.891
  165    HA   PRO  21           HA       PRO  21   6.947   5.257   3.007
  166    HB2  PRO  21           HB2      PRO  21   7.315   7.016   4.977
  167    HB3  PRO  21           HB1      PRO  21   8.637   6.583   3.888
  168    HG2  PRO  21           HG2      PRO  21   6.906   9.018   3.887
  169    HG3  PRO  21           HG1      PRO  21   8.649   8.882   3.597
  170    HD2  PRO  21           HD2      PRO  21   6.720   9.071   1.614
  171    HD3  PRO  21           HD1      PRO  21   8.351   8.417   1.385
  172    H    ARG  22           HN       ARG  22   4.702   7.483   1.965
  173    HA   ARG  22           HA       ARG  22   2.950   7.140   4.291
  174    HB2  ARG  22           HB2      ARG  22   2.636   8.901   1.855
  175    HB3  ARG  22           HB1      ARG  22   1.486   8.802   3.181
  176    HG2  ARG  22           HG2      ARG  22   3.272   9.595   4.713
  177    HG3  ARG  22           HG1      ARG  22   4.312   9.830   3.307
  178    HD2  ARG  22           HD2      ARG  22   1.658  11.174   3.820
  179    HD3  ARG  22           HD1      ARG  22   3.248  11.923   3.955
  180    HE   ARG  22           HE       ARG  22   3.123  10.988   1.380
  181   HH11  ARG  22          HH11      ARG  22   1.177  13.168   3.318
  182   HH12  ARG  22          HH12      ARG  22   0.685  14.124   1.957
  183   HH21  ARG  22          HH21      ARG  22   1.413  13.598  -0.148
  184   HH22  ARG  22          HH22      ARG  22   2.468  12.233  -0.397
  185    H    TYR  23           HN       TYR  23   1.188   5.886   4.235
  186    HA   TYR  23           HA       TYR  23   0.319   4.806   1.656
  187    HB2  TYR  23           HB2      TYR  23   0.743   3.086   4.104
  188    HB3  TYR  23           HB1      TYR  23   0.218   2.551   2.512
  189    HD1  TYR  23           HD1      TYR  23   3.006   3.123   4.644
  190    HD2  TYR  23           HD2      TYR  23   1.847   2.876   0.562
  191    HE1  TYR  23           HE1      TYR  23   5.338   2.704   4.009
  192    HE2  TYR  23           HE2      TYR  23   4.180   2.467  -0.084
  193    HH   TYR  23           HH       TYR  23   6.523   1.538   2.058
  194    H    GLU  24           HN       GLU  24  -1.826   4.695   1.440
  195    HA   GLU  24           HA       GLU  24  -3.449   5.172   3.858
  196    HB2  GLU  24           HB2      GLU  24  -4.068   6.248   1.103
  197    HB3  GLU  24           HB1      GLU  24  -4.924   6.600   2.593
  198    HG2  GLU  24           HG2      GLU  24  -2.882   7.696   3.457
  199    HG3  GLU  24           HG1      GLU  24  -2.120   7.432   1.890
  200    H    VAL  25           HN       VAL  25  -4.345   3.247   4.235
  201    HA   VAL  25           HA       VAL  25  -5.264   1.569   2.054
  202    HB   VAL  25           HB       VAL  25  -5.396   1.143   5.045
  203   HG11  VAL  25          HG11      VAL  25  -5.950  -0.779   2.786
  204   HG12  VAL  25          HG12      VAL  25  -7.145  -0.102   3.891
  205   HG13  VAL  25          HG13      VAL  25  -5.900  -1.194   4.498
  206   HG21  VAL  25          HG21      VAL  25  -3.105   1.205   4.178
  207   HG22  VAL  25          HG22      VAL  25  -3.523  -0.030   2.992
  208   HG23  VAL  25          HG23      VAL  25  -3.549  -0.415   4.712
  209    H    HIS  26           HN       HIS  26  -7.240   1.710   1.236
  210    HA   HIS  26           HA       HIS  26  -9.413   2.659   2.988
  211    HB2  HIS  26           HB2      HIS  26  -9.134   3.172   0.022
  212    HB3  HIS  26           HB1      HIS  26 -10.466   3.701   1.036
  213    HD1  HIS  26           HD1      HIS  26  -7.413   4.890  -0.385
  214    HD2  HIS  26           HD2      HIS  26  -9.454   5.550   3.173
  215    HE1  HIS  26           HE1      HIS  26  -6.489   7.039   0.538
  216    HE2  HIS  26           HE2      HIS  26  -7.810   7.474   2.637
  217    H    CYS  27           HN       CYS  27 -10.654   0.960   3.439
  218    HA   CYS  27           HA       CYS  27 -11.064  -1.080   1.376
  219    HB2  CYS  27           HB2      CYS  27 -11.587  -1.158   4.352
  220    HB3  CYS  27           HB1      CYS  27 -11.931  -2.476   3.240
  221    HN1  NH2  28           HN1      NH2  28 -12.567   0.060   0.167
  222    HN2  NH2  28           HN2      NH2  28 -14.184   0.322   0.714
  Start of MODEL    9
    1    H1   ASN   1           HT1      ASN   1  12.115  -1.557  -2.694
    2    H2   ASN   1           HT2      ASN   1  12.857  -1.189  -1.220
    3    H3   ASN   1           HT3      ASN   1  11.450  -0.374  -1.688
    4    HA   ASN   1           HA       ASN   1  11.636  -3.268  -1.099
    5    HB2  ASN   1           HB2      ASN   1  10.292  -1.060   0.483
    6    HB3  ASN   1           HB1      ASN   1  10.353  -2.762   0.917
    7   HD21  ASN   1          HD21      ASN   1  11.222  -0.473   2.428
    8   HD22  ASN   1          HD22      ASN   1  12.908  -0.693   2.735
    9    H    ASP   2           HN       ASP   2   9.640  -4.383  -1.304
   10    HA   ASP   2           HA       ASP   2   7.794  -3.122  -3.172
   11    HB2  ASP   2           HB2      ASP   2   6.798  -5.418  -3.334
   12    HB3  ASP   2           HB1      ASP   2   8.492  -5.337  -3.796
   13    H    LYS   3           HN       LYS   3   7.595  -1.889  -0.820
   14    HA   LYS   3           HA       LYS   3   5.955  -3.092   1.128
   15    HB2  LYS   3           HB2      LYS   3   6.464  -0.170   0.569
   16    HB3  LYS   3           HB1      LYS   3   5.691  -0.798   2.018
   17    HG2  LYS   3           HG2      LYS   3   7.717  -1.989   2.613
   18    HG3  LYS   3           HG1      LYS   3   8.494  -1.437   1.130
   19    HD2  LYS   3           HD2      LYS   3   9.236  -0.069   2.967
   20    HD3  LYS   3           HD1      LYS   3   8.213   0.898   1.904
   21    HE2  LYS   3           HE2      LYS   3   6.337   0.625   3.409
   22    HE3  LYS   3           HE1      LYS   3   7.287  -0.440   4.441
   23    HZ1  LYS   3           HZ1      LYS   3   7.177   1.795   5.336
   24    HZ2  LYS   3           HZ2      LYS   3   7.863   2.424   3.926
   25    HZ3  LYS   3           HZ3      LYS   3   8.768   1.402   4.921
   26    H    CYS   4           HN       CYS   4   5.221  -1.041  -1.643
   27    HA   CYS   4           HA       CYS   4   2.513  -0.582  -1.106
   28    HB2  CYS   4           HB2      CYS   4   4.009  -0.807  -3.720
   29    HB3  CYS   4           HB1      CYS   4   2.328  -0.296  -3.609
   30    H    LYS   5           HN       LYS   5   4.148  -3.246  -2.721
   31    HA   LYS   5           HA       LYS   5   1.750  -4.575  -3.529
   32    HB2  LYS   5           HB2      LYS   5   4.591  -5.585  -3.294
   33    HB3  LYS   5           HB1      LYS   5   3.269  -6.473  -4.040
   34    HG2  LYS   5           HG2      LYS   5   3.053  -4.740  -5.740
   35    HG3  LYS   5           HG1      LYS   5   4.360  -3.828  -4.986
   36    HD2  LYS   5           HD2      LYS   5   5.144  -5.109  -6.923
   37    HD3  LYS   5           HD1      LYS   5   5.911  -5.650  -5.429
   38    HE2  LYS   5           HE2      LYS   5   4.413  -7.546  -5.308
   39    HE3  LYS   5           HE1      LYS   5   3.536  -6.980  -6.727
   40    HZ1  LYS   5           HZ1      LYS   5   5.122  -8.753  -7.233
   41    HZ2  LYS   5           HZ2      LYS   5   6.393  -7.775  -6.708
   42    HZ3  LYS   5           HZ3      LYS   5   5.487  -7.326  -8.063
   43    H    GLU   6           HN       GLU   6   4.048  -4.893  -0.900
   44    HA   GLU   6           HA       GLU   6   3.060  -7.195   0.327
   45    HB2  GLU   6           HB2      GLU   6   5.212  -6.062   0.840
   46    HB3  GLU   6           HB1      GLU   6   4.322  -4.763   1.615
   47    HG2  GLU   6           HG2      GLU   6   3.460  -6.377   3.263
   48    HG3  GLU   6           HG1      GLU   6   4.441  -7.634   2.504
   49    H    LEU   7           HN       LEU   7   2.220  -3.791   0.776
   50    HA   LEU   7           HA       LEU   7   0.266  -4.283   2.794
   51    HB2  LEU   7           HB2      LEU   7   0.719  -1.890   1.020
   52    HB3  LEU   7           HB1      LEU   7  -0.350  -1.921   2.408
   53    HG   LEU   7           HG       LEU   7   2.631  -2.380   2.556
   54   HD11  LEU   7          HD11      LEU   7   2.767  -0.130   3.487
   55   HD12  LEU   7          HD12      LEU   7   1.044   0.103   3.189
   56   HD13  LEU   7          HD13      LEU   7   2.155  -0.102   1.832
   57   HD21  LEU   7          HD21      LEU   7   1.359  -3.411   4.373
   58   HD22  LEU   7          HD22      LEU   7   0.589  -1.861   4.710
   59   HD23  LEU   7          HD23      LEU   7   2.324  -2.054   4.949
   60    H    LYS   8           HN       LYS   8   0.206  -3.860  -0.697
   61    HA   LYS   8           HA       LYS   8  -2.563  -3.752  -1.087
   62    HB2  LYS   8           HB2      LYS   8  -0.957  -3.226  -2.846
   63    HB3  LYS   8           HB1      LYS   8  -0.394  -4.888  -2.860
   64    HG2  LYS   8           HG2      LYS   8  -1.794  -4.560  -4.753
   65    HG3  LYS   8           HG1      LYS   8  -2.656  -5.585  -3.608
   66    HD2  LYS   8           HD2      LYS   8  -4.030  -3.760  -2.903
   67    HD3  LYS   8           HD1      LYS   8  -3.057  -2.607  -3.817
   68    HE2  LYS   8           HE2      LYS   8  -5.144  -3.110  -4.974
   69    HE3  LYS   8           HE1      LYS   8  -3.753  -3.664  -5.902
   70    HZ1  LYS   8           HZ1      LYS   8  -5.522  -5.364  -4.226
   71    HZ2  LYS   8           HZ2      LYS   8  -4.167  -5.912  -5.077
   72    HZ3  LYS   8           HZ3      LYS   8  -5.502  -5.306  -5.915
   73    H    LYS   9           HN       LYS   9  -0.377  -6.499  -0.747
   74    HA   LYS   9           HA       LYS   9  -2.456  -8.425  -1.253
   75    HB2  LYS   9           HB2      LYS   9   0.372  -8.739  -0.238
   76    HB3  LYS   9           HB1      LYS   9  -0.704 -10.085  -0.591
   77    HG2  LYS   9           HG2      LYS   9  -0.823  -9.398  -2.926
   78    HG3  LYS   9           HG1      LYS   9   0.222  -8.019  -2.581
   79    HD2  LYS   9           HD2      LYS   9   2.015  -9.546  -1.926
   80    HD3  LYS   9           HD1      LYS   9   0.965 -10.924  -2.263
   81    HE2  LYS   9           HE2      LYS   9   0.816 -10.213  -4.611
   82    HE3  LYS   9           HE1      LYS   9   1.898  -8.865  -4.262
   83    HZ1  LYS   9           HZ1      LYS   9   2.579 -11.743  -4.006
   84    HZ2  LYS   9           HZ2      LYS   9   3.616 -10.456  -3.661
   85    HZ3  LYS   9           HZ3      LYS   9   3.089 -10.713  -5.244
   86    H    ARG  10           HN       ARG  10  -0.856  -7.077   1.579
   87    HA   ARG  10           HA       ARG  10  -1.938  -8.825   3.503
   88    HB2  ARG  10           HB2      ARG  10  -0.060  -7.279   3.935
   89    HB3  ARG  10           HB1      ARG  10  -1.167  -5.923   3.820
   90    HG2  ARG  10           HG2      ARG  10  -2.340  -6.630   5.788
   91    HG3  ARG  10           HG1      ARG  10  -1.389  -8.118   5.866
   92    HD2  ARG  10           HD2      ARG  10  -0.342  -5.300   6.162
   93    HD3  ARG  10           HD1      ARG  10  -0.548  -6.476   7.461
   94    HE   ARG  10           HE       ARG  10   1.085  -7.828   5.892
   95   HH11  ARG  10          HH11      ARG  10   2.952  -4.356   6.642
   96   HH12  ARG  10          HH12      ARG  10   1.234  -4.462   6.845
   97   HH21  ARG  10          HH21      ARG  10   3.328  -7.694   5.632
   98   HH22  ARG  10          HH22      ARG  10   4.149  -6.192   5.927
   99    H    TYR  11           HN       TYR  11  -3.055  -5.656   2.351
  100    HA   TYR  11           HA       TYR  11  -5.550  -5.963   3.812
  101    HB2  TYR  11           HB2      TYR  11  -4.525  -3.743   2.035
  102    HB3  TYR  11           HB1      TYR  11  -6.070  -3.716   2.876
  103    HD1  TYR  11           HD1      TYR  11  -6.156  -3.526   5.318
  104    HD2  TYR  11           HD2      TYR  11  -2.462  -3.358   3.218
  105    HE1  TYR  11           HE1      TYR  11  -5.073  -2.577   7.309
  106    HE2  TYR  11           HE2      TYR  11  -1.371  -2.413   5.202
  107    HH   TYR  11           HH       TYR  11  -1.970  -1.177   7.225
  108    H    AIB  12           HN       AIB  12  -6.189  -7.861   2.655
  109   HB11  AIB  12          HB11      AIB  12  -6.744  -9.994   1.559
  110   HB12  AIB  12          HB12      AIB  12  -8.127  -9.907   0.468
  111   HB13  AIB  12          HB13      AIB  12  -8.253  -9.262   2.104
  112   HB21  AIB  12          HB21      AIB  12  -5.399  -8.956  -0.123
  113   HB22  AIB  12          HB22      AIB  12  -5.803  -7.374  -0.781
  114   HB23  AIB  12          HB23      AIB  12  -6.770  -8.784  -1.218
  115    H    GLY  13           HN       GLY  13  -7.579  -6.899  -1.479
  116    HA2  GLY  13           HA2      GLY  13  -9.596  -6.238  -2.470
  117    HA3  GLY  13           HA1      GLY  13 -10.388  -6.395  -0.912
  118    H    CYS  14           HN       CYS  14  -7.737  -4.747  -0.129
  119    HA   CYS  14           HA       CYS  14  -9.178  -2.216  -0.307
  120    HB2  CYS  14           HB2      CYS  14  -6.669  -2.868   1.231
  121    HB3  CYS  14           HB1      CYS  14  -7.635  -1.405   1.375
  122    H    GLU  15           HN       GLU  15  -8.323  -0.381  -1.172
  123    HA   GLU  15           HA       GLU  15  -6.172  -0.764  -3.099
  124    HB2  GLU  15           HB2      GLU  15  -8.058   1.570  -2.708
  125    HB3  GLU  15           HB1      GLU  15  -6.913   1.381  -4.030
  126    HG2  GLU  15           HG2      GLU  15  -8.115  -0.544  -4.848
  127    HG3  GLU  15           HG1      GLU  15  -9.215  -0.477  -3.472
  128    H    VAL  16           HN       VAL  16  -4.264  -0.531  -2.171
  129    HA   VAL  16           HA       VAL  16  -3.874   1.454  -0.076
  130    HB   VAL  16           HB       VAL  16  -1.961  -0.623  -1.159
  131   HG11  VAL  16          HG11      VAL  16  -1.770   1.100   1.308
  132   HG12  VAL  16          HG12      VAL  16  -0.831   1.314  -0.171
  133   HG13  VAL  16          HG13      VAL  16  -0.616  -0.138   0.808
  134   HG21  VAL  16          HG21      VAL  16  -3.893  -1.630  -0.057
  135   HG22  VAL  16          HG22      VAL  16  -3.623  -0.617   1.357
  136   HG23  VAL  16          HG23      VAL  16  -2.438  -1.842   0.913
  137    H    ARG  17           HN       ARG  17  -3.131   3.406  -0.532
  138    HA   ARG  17           HA       ARG  17  -1.954   3.877  -3.173
  139    HB2  ARG  17           HB2      ARG  17  -3.939   5.227  -2.278
  140    HB3  ARG  17           HB1      ARG  17  -2.785   5.984  -1.189
  141    HG2  ARG  17           HG2      ARG  17  -1.466   6.697  -3.162
  142    HG3  ARG  17           HG1      ARG  17  -2.738   6.048  -4.197
  143    HD2  ARG  17           HD2      ARG  17  -3.234   8.323  -4.040
  144    HD3  ARG  17           HD1      ARG  17  -4.323   7.561  -2.885
  145    HE   ARG  17           HE       ARG  17  -1.779   8.699  -1.953
  146   HH11  ARG  17          HH11      ARG  17  -5.280   8.704  -1.939
  147   HH12  ARG  17          HH12      ARG  17  -5.398   9.847  -0.641
  148   HH21  ARG  17          HH21      ARG  17  -1.928  10.216  -0.251
  149   HH22  ARG  17          HH22      ARG  17  -3.498  10.704   0.318
  150    H    CYS  18           HN       CYS  18   0.137   4.259  -3.397
  151    HA   CYS  18           HA       CYS  18   1.864   4.363  -1.103
  152    HB2  CYS  18           HB2      CYS  18   2.647   4.802  -3.985
  153    HB3  CYS  18           HB1      CYS  18   3.654   4.214  -2.668
  154    H    ASP  19           HN       ASP  19   2.207   6.207  -0.030
  155    HA   ASP  19           HA       ASP  19   2.171   8.738  -1.543
  156    HB2  ASP  19           HB2      ASP  19   0.156   8.223  -0.000
  157    HB3  ASP  19           HB1      ASP  19   1.281   8.493   1.324
  158    HA   DPR  20           HA       DPR  20   6.165   9.584   0.291
  159    HB2  DPR  20           HB2      DPR  20   7.722   9.188  -1.313
  160    HB3  DPR  20           HB1      DPR  20   7.308   7.475  -1.427
  161    HG2  DPR  20           HG2      DPR  20   6.045   9.829  -2.758
  162    HG3  DPR  20           HG1      DPR  20   6.380   8.218  -3.414
  163    HD2  DPR  20           HD2      DPR  20   3.915   8.947  -2.628
  164    HD3  DPR  20           HD1      DPR  20   4.506   7.286  -2.428
  165    HA   PRO  21           HA       PRO  21   7.530   6.071   2.792
  166    HB2  PRO  21           HB2      PRO  21   7.764   7.423   5.099
  167    HB3  PRO  21           HB1      PRO  21   8.955   7.594   3.804
  168    HG2  PRO  21           HG2      PRO  21   6.688   9.402   4.542
  169    HG3  PRO  21           HG1      PRO  21   8.348   9.820   4.085
  170    HD2  PRO  21           HD2      PRO  21   6.211   9.920   2.366
  171    HD3  PRO  21           HD1      PRO  21   7.889   9.677   1.845
  172    H    ARG  22           HN       ARG  22   4.667   7.760   2.677
  173    HA   ARG  22           HA       ARG  22   3.490   6.217   4.888
  174    HB2  ARG  22           HB2      ARG  22   2.623   8.829   3.649
  175    HB3  ARG  22           HB1      ARG  22   1.655   7.926   4.804
  176    HG2  ARG  22           HG2      ARG  22   3.365   8.183   6.495
  177    HG3  ARG  22           HG1      ARG  22   4.419   8.991   5.335
  178    HD2  ARG  22           HD2      ARG  22   3.348  10.611   6.787
  179    HD3  ARG  22           HD1      ARG  22   2.796  10.807   5.128
  180    HE   ARG  22           HE       ARG  22   0.789   9.426   5.949
  181   HH11  ARG  22          HH11      ARG  22   2.595  11.640   7.963
  182   HH12  ARG  22          HH12      ARG  22   1.223  12.089   8.924
  183   HH21  ARG  22          HH21      ARG  22  -0.831  11.170   8.499
  184   HH22  ARG  22          HH22      ARG  22  -1.032  10.037   7.198
  185    H    TYR  23           HN       TYR  23   1.315   5.401   4.514
  186    HA   TYR  23           HA       TYR  23   0.645   5.033   1.691
  187    HB2  TYR  23           HB2      TYR  23   0.894   2.757   3.666
  188    HB3  TYR  23           HB1      TYR  23   0.331   2.625   2.006
  189    HD1  TYR  23           HD1      TYR  23   3.257   3.183   4.150
  190    HD2  TYR  23           HD2      TYR  23   1.878   2.649   0.164
  191    HE1  TYR  23           HE1      TYR  23   5.570   2.834   3.407
  192    HE2  TYR  23           HE2      TYR  23   4.187   2.294  -0.591
  193    HH   TYR  23           HH       TYR  23   6.448   2.786   0.094
  194    H    GLU  24           HN       GLU  24  -1.475   5.048   1.282
  195    HA   GLU  24           HA       GLU  24  -3.231   5.392   3.620
  196    HB2  GLU  24           HB2      GLU  24  -3.586   6.380   0.783
  197    HB3  GLU  24           HB1      GLU  24  -4.732   6.627   2.094
  198    HG2  GLU  24           HG2      GLU  24  -1.913   7.679   1.995
  199    HG3  GLU  24           HG1      GLU  24  -3.378   8.609   1.686
  200    H    VAL  25           HN       VAL  25  -4.551   3.774   4.048
  201    HA   VAL  25           HA       VAL  25  -4.986   1.740   2.003
  202    HB   VAL  25           HB       VAL  25  -5.639   1.695   4.956
  203   HG11  VAL  25          HG11      VAL  25  -5.707  -0.524   2.915
  204   HG12  VAL  25          HG12      VAL  25  -7.109   0.234   3.667
  205   HG13  VAL  25          HG13      VAL  25  -5.983  -0.706   4.647
  206   HG21  VAL  25          HG21      VAL  25  -3.381   0.416   3.415
  207   HG22  VAL  25          HG22      VAL  25  -3.729   0.155   5.124
  208   HG23  VAL  25          HG23      VAL  25  -3.241   1.753   4.557
  209    H    HIS  26           HN       HIS  26  -6.726   1.910   0.768
  210    HA   HIS  26           HA       HIS  26  -9.165   3.066   1.946
  211    HB2  HIS  26           HB2      HIS  26  -8.100   3.145  -0.868
  212    HB3  HIS  26           HB1      HIS  26  -9.779   3.507  -0.501
  213    HD1  HIS  26           HD1      HIS  26 -10.253   5.892  -0.043
  214    HD2  HIS  26           HD2      HIS  26  -6.269   4.944   0.637
  215    HE1  HIS  26           HE1      HIS  26  -9.131   8.065   0.529
  216    HE2  HIS  26           HE2      HIS  26  -6.780   7.426   1.154
  217    H    CYS  27           HN       CYS  27 -10.106   1.205   2.705
  218    HA   CYS  27           HA       CYS  27 -10.395  -1.079   0.936
  219    HB2  CYS  27           HB2      CYS  27 -11.398  -0.661   3.756
  220    HB3  CYS  27           HB1      CYS  27 -11.441  -2.174   2.863
  221    HN1  NH2  28           HN1      NH2  28 -12.587   0.934   2.860
  222    HN2  NH2  28           HN2      NH2  28 -13.939   0.790   1.792
  Start of MODEL   10
    1    H1   ASN   1           HT1      ASN   1  12.282   0.002  -0.347
    2    H2   ASN   1           HT2      ASN   1  12.997  -0.267   1.159
    3    H3   ASN   1           HT3      ASN   1  11.424   0.349   1.064
    4    HA   ASN   1           HA       ASN   1  12.274  -2.332   0.149
    5    HB2  ASN   1           HB2      ASN   1  10.696  -1.450   2.587
    6    HB3  ASN   1           HB1      ASN   1  10.836  -3.122   2.057
    7   HD21  ASN   1          HD21      ASN   1  11.649  -1.999   4.573
    8   HD22  ASN   1          HD22      ASN   1  13.358  -2.254   4.705
    9    H    ASP   2           HN       ASP   2  10.313  -3.713  -0.277
   10    HA   ASP   2           HA       ASP   2   8.448  -2.172  -1.878
   11    HB2  ASP   2           HB2      ASP   2   7.609  -4.481  -2.563
   12    HB3  ASP   2           HB1      ASP   2   9.256  -4.075  -3.021
   13    H    LYS   3           HN       LYS   3   8.038  -1.528   0.661
   14    HA   LYS   3           HA       LYS   3   6.204  -3.041   2.139
   15    HB2  LYS   3           HB2      LYS   3   7.402  -1.204   3.157
   16    HB3  LYS   3           HB1      LYS   3   6.679  -0.056   2.041
   17    HG2  LYS   3           HG2      LYS   3   5.598   0.169   4.149
   18    HG3  LYS   3           HG1      LYS   3   4.463  -0.576   3.025
   19    HD2  LYS   3           HD2      LYS   3   4.247  -1.754   5.064
   20    HD3  LYS   3           HD1      LYS   3   5.166  -2.806   3.986
   21    HE2  LYS   3           HE2      LYS   3   7.247  -2.067   5.056
   22    HE3  LYS   3           HE1      LYS   3   6.316  -1.028   6.133
   23    HZ1  LYS   3           HZ1      LYS   3   6.203  -3.991   6.006
   24    HZ2  LYS   3           HZ2      LYS   3   5.188  -3.036   6.961
   25    HZ3  LYS   3           HZ3      LYS   3   6.852  -3.055   7.255
   26    H    CYS   4           HN       CYS   4   5.773  -0.658  -0.401
   27    HA   CYS   4           HA       CYS   4   3.017  -0.339  -0.344
   28    HB2  CYS   4           HB2      CYS   4   4.480   0.993  -1.790
   29    HB3  CYS   4           HB1      CYS   4   4.860  -0.435  -2.743
   30    H    LYS   5           HN       LYS   5   4.970  -2.791  -1.982
   31    HA   LYS   5           HA       LYS   5   2.791  -4.103  -3.223
   32    HB2  LYS   5           HB2      LYS   5   5.541  -5.160  -2.549
   33    HB3  LYS   5           HB1      LYS   5   4.404  -5.912  -3.658
   34    HG2  LYS   5           HG2      LYS   5   5.618  -3.181  -4.022
   35    HG3  LYS   5           HG1      LYS   5   6.188  -4.657  -4.796
   36    HD2  LYS   5           HD2      LYS   5   3.960  -4.907  -5.858
   37    HD3  LYS   5           HD1      LYS   5   3.486  -3.362  -5.150
   38    HE2  LYS   5           HE2      LYS   5   5.307  -2.257  -6.359
   39    HE3  LYS   5           HE1      LYS   5   5.760  -3.800  -7.080
   40    HZ1  LYS   5           HZ1      LYS   5   4.426  -2.519  -8.602
   41    HZ2  LYS   5           HZ2      LYS   5   3.186  -2.377  -7.464
   42    HZ3  LYS   5           HZ3      LYS   5   3.561  -3.890  -8.116
   43    H    GLU   6           HN       GLU   6   4.547  -4.590  -0.210
   44    HA   GLU   6           HA       GLU   6   3.311  -6.982   0.586
   45    HB2  GLU   6           HB2      GLU   6   4.576  -4.729   2.128
   46    HB3  GLU   6           HB1      GLU   6   3.898  -6.136   2.935
   47    HG2  GLU   6           HG2      GLU   6   6.102  -6.179   0.884
   48    HG3  GLU   6           HG1      GLU   6   6.308  -6.341   2.626
   49    H    LEU   7           HN       LEU   7   2.374  -3.611   1.080
   50    HA   LEU   7           HA       LEU   7   0.126  -4.231   2.722
   51    HB2  LEU   7           HB2      LEU   7   0.768  -1.756   1.128
   52    HB3  LEU   7           HB1      LEU   7  -0.512  -1.880   2.316
   53    HG   LEU   7           HG       LEU   7   2.444  -2.144   2.887
   54   HD11  LEU   7          HD11      LEU   7   0.499   0.071   3.520
   55   HD12  LEU   7          HD12      LEU   7   1.815   0.139   2.347
   56   HD13  LEU   7          HD13      LEU   7   2.173  -0.016   4.067
   57   HD21  LEU   7          HD21      LEU   7   0.079  -2.145   4.757
   58   HD22  LEU   7          HD22      LEU   7   1.770  -2.105   5.248
   59   HD23  LEU   7          HD23      LEU   7   1.130  -3.515   4.405
   60    H    LYS   8           HN       LYS   8   0.629  -3.674  -0.708
   61    HA   LYS   8           HA       LYS   8  -2.058  -3.756  -1.540
   62    HB2  LYS   8           HB2      LYS   8   0.498  -4.539  -2.939
   63    HB3  LYS   8           HB1      LYS   8  -1.065  -4.604  -3.732
   64    HG2  LYS   8           HG2      LYS   8  -0.066  -2.075  -2.477
   65    HG3  LYS   8           HG1      LYS   8   0.413  -2.548  -4.107
   66    HD2  LYS   8           HD2      LYS   8  -2.044  -2.736  -4.643
   67    HD3  LYS   8           HD1      LYS   8  -2.362  -1.976  -3.085
   68    HE2  LYS   8           HE2      LYS   8  -1.082  -0.021  -3.751
   69    HE3  LYS   8           HE1      LYS   8  -0.683  -0.785  -5.287
   70    HZ1  LYS   8           HZ1      LYS   8  -3.102  -0.838  -5.765
   71    HZ2  LYS   8           HZ2      LYS   8  -2.466   0.720  -5.644
   72    HZ3  LYS   8           HZ3      LYS   8  -3.365   0.079  -4.370
   73    H    LYS   9           HN       LYS   9   0.295  -6.300  -0.900
   74    HA   LYS   9           HA       LYS   9  -1.336  -8.450  -1.772
   75    HB2  LYS   9           HB2      LYS   9   0.968  -8.399   0.187
   76    HB3  LYS   9           HB1      LYS   9   0.222  -9.867  -0.429
   77    HG2  LYS   9           HG2      LYS   9   0.933  -9.337  -2.672
   78    HG3  LYS   9           HG1      LYS   9   1.576  -7.784  -2.131
   79    HD2  LYS   9           HD2      LYS   9   3.136  -9.004  -0.643
   80    HD3  LYS   9           HD1      LYS   9   2.540 -10.523  -1.317
   81    HE2  LYS   9           HE2      LYS   9   3.849  -8.305  -2.886
   82    HE3  LYS   9           HE1      LYS   9   4.644  -9.787  -2.361
   83    HZ1  LYS   9           HZ1      LYS   9   3.925  -9.919  -4.662
   84    HZ2  LYS   9           HZ2      LYS   9   2.322  -9.645  -4.206
   85    HZ3  LYS   9           HZ3      LYS   9   3.109 -11.056  -3.715
   86    H    ARG  10           HN       ARG  10  -0.730  -6.996   1.389
   87    HA   ARG  10           HA       ARG  10  -2.224  -8.815   2.916
   88    HB2  ARG  10           HB2      ARG  10  -0.576  -7.203   3.840
   89    HB3  ARG  10           HB1      ARG  10  -1.708  -5.899   3.517
   90    HG2  ARG  10           HG2      ARG  10  -3.329  -6.966   5.040
   91    HG3  ARG  10           HG1      ARG  10  -2.121  -8.200   5.415
   92    HD2  ARG  10           HD2      ARG  10  -1.910  -5.235   5.935
   93    HD3  ARG  10           HD1      ARG  10  -2.120  -6.504   7.140
   94    HE   ARG  10           HE       ARG  10   0.225  -6.990   5.634
   95   HH11  ARG  10          HH11      ARG  10   0.530  -4.528   8.795
   96   HH12  ARG  10          HH12      ARG  10  -1.033  -4.889   8.138
   97   HH21  ARG  10          HH21      ARG  10   2.273  -6.530   6.507
   98   HH22  ARG  10          HH22      ARG  10   2.415  -5.466   7.870
   99    H    TYR  11           HN       TYR  11  -3.142  -5.596   1.687
  100    HA   TYR  11           HA       TYR  11  -5.868  -6.060   2.622
  101    HB2  TYR  11           HB2      TYR  11  -4.600  -3.598   1.423
  102    HB3  TYR  11           HB1      TYR  11  -6.226  -3.699   2.082
  103    HD1  TYR  11           HD1      TYR  11  -6.523  -4.156   4.538
  104    HD2  TYR  11           HD2      TYR  11  -2.748  -3.210   2.822
  105    HE1  TYR  11           HE1      TYR  11  -5.657  -3.596   6.763
  106    HE2  TYR  11           HE2      TYR  11  -1.873  -2.648   5.048
  107    HH   TYR  11           HH       TYR  11  -3.493  -3.469   7.915
  108    H    AIB  12           HN       AIB  12  -5.751  -7.804   0.823
  109   HB11  AIB  12          HB11      AIB  12  -7.246  -9.418  -0.420
  110   HB12  AIB  12          HB12      AIB  12  -5.598  -9.462  -1.045
  111   HB13  AIB  12          HB13      AIB  12  -6.961  -9.364  -2.158
  112   HB21  AIB  12          HB21      AIB  12  -5.565  -6.010  -2.265
  113   HB22  AIB  12          HB22      AIB  12  -5.978  -7.448  -3.196
  114   HB23  AIB  12          HB23      AIB  12  -4.614  -7.483  -2.079
  115    H    GLY  13           HN       GLY  13  -8.237  -6.828   0.603
  116    HA2  GLY  13           HA2      GLY  13 -10.346  -6.343  -1.386
  117    HA3  GLY  13           HA1      GLY  13 -10.612  -6.682   0.316
  118    H    CYS  14           HN       CYS  14  -8.119  -4.438  -0.558
  119    HA   CYS  14           HA       CYS  14  -9.934  -2.172  -0.121
  120    HB2  CYS  14           HB2      CYS  14  -7.244  -2.384   1.217
  121    HB3  CYS  14           HB1      CYS  14  -8.463  -1.146   1.468
  122    H    GLU  15           HN       GLU  15  -8.867  -0.092  -0.671
  123    HA   GLU  15           HA       GLU  15  -7.032  -0.413  -2.929
  124    HB2  GLU  15           HB2      GLU  15  -8.774   1.908  -2.089
  125    HB3  GLU  15           HB1      GLU  15  -7.663   1.945  -3.452
  126    HG2  GLU  15           HG2      GLU  15 -10.043   0.129  -3.146
  127    HG3  GLU  15           HG1      GLU  15  -9.931   1.542  -4.194
  128    H    VAL  16           HN       VAL  16  -4.981  -0.306  -2.313
  129    HA   VAL  16           HA       VAL  16  -4.223   1.396  -0.058
  130    HB   VAL  16           HB       VAL  16  -2.549  -0.604  -1.584
  131   HG11  VAL  16          HG11      VAL  16  -1.222   1.121  -0.499
  132   HG12  VAL  16          HG12      VAL  16  -1.009  -0.433   0.307
  133   HG13  VAL  16          HG13      VAL  16  -2.037   0.802   1.032
  134   HG21  VAL  16          HG21      VAL  16  -4.368  -1.737  -0.444
  135   HG22  VAL  16          HG22      VAL  16  -3.975  -0.903   1.056
  136   HG23  VAL  16          HG23      VAL  16  -2.840  -2.065   0.373
  137    H    ARG  17           HN       ARG  17  -3.595   3.415  -0.517
  138    HA   ARG  17           HA       ARG  17  -2.307   3.952  -3.091
  139    HB2  ARG  17           HB2      ARG  17  -4.101   5.483  -2.443
  140    HB3  ARG  17           HB1      ARG  17  -3.257   5.860  -0.953
  141    HG2  ARG  17           HG2      ARG  17  -2.924   7.642  -2.526
  142    HG3  ARG  17           HG1      ARG  17  -1.397   6.795  -2.272
  143    HD2  ARG  17           HD2      ARG  17  -1.898   5.478  -4.352
  144    HD3  ARG  17           HD1      ARG  17  -3.259   6.562  -4.628
  145    HE   ARG  17           HE       ARG  17  -0.828   7.998  -4.244
  146   HH11  ARG  17          HH11      ARG  17  -2.671   6.190  -6.606
  147   HH12  ARG  17          HH12      ARG  17  -1.912   6.953  -7.965
  148   HH21  ARG  17          HH21      ARG  17   0.173   8.998  -6.032
  149   HH22  ARG  17          HH22      ARG  17  -0.301   8.549  -7.639
  150    H    CYS  18           HN       CYS  18  -0.192   4.206  -3.269
  151    HA   CYS  18           HA       CYS  18   1.384   4.340  -0.804
  152    HB2  CYS  18           HB2      CYS  18   2.222   3.443  -3.567
  153    HB3  CYS  18           HB1      CYS  18   3.196   3.354  -2.103
  154    H    ASP  19           HN       ASP  19   2.436   6.165  -0.359
  155    HA   ASP  19           HA       ASP  19   3.409   7.820  -2.573
  156    HB2  ASP  19           HB2      ASP  19   1.266   8.802  -1.732
  157    HB3  ASP  19           HB1      ASP  19   2.008   8.957  -0.144
  158    HA   DPR  20           HA       DPR  20   7.127   8.296  -0.267
  159    HB2  DPR  20           HB2      DPR  20   8.354   7.345  -1.921
  160    HB3  DPR  20           HB1      DPR  20   8.390   5.934  -0.861
  161    HG2  DPR  20           HG2      DPR  20   7.377   5.792  -3.338
  162    HG3  DPR  20           HG1      DPR  20   6.688   4.869  -1.993
  163    HD2  DPR  20           HD2      DPR  20   5.676   7.361  -3.292
  164    HD3  DPR  20           HD1      DPR  20   4.773   5.974  -2.648
  165    HA   PRO  21           HA       PRO  21   7.092   5.642   3.344
  166    HB2  PRO  21           HB2      PRO  21   7.298   7.567   5.171
  167    HB3  PRO  21           HB1      PRO  21   8.657   7.180   4.108
  168    HG2  PRO  21           HG2      PRO  21   6.701   9.435   3.936
  169    HG3  PRO  21           HG1      PRO  21   8.450   9.447   3.652
  170    HD2  PRO  21           HD2      PRO  21   6.514   9.300   1.670
  171    HD3  PRO  21           HD1      PRO  21   8.205   8.800   1.481
  172    H    ARG  22           HN       ARG  22   4.663   7.567   2.136
  173    HA   ARG  22           HA       ARG  22   2.930   7.145   4.481
  174    HB2  ARG  22           HB2      ARG  22   2.647   9.025   2.138
  175    HB3  ARG  22           HB1      ARG  22   1.399   8.773   3.349
  176    HG2  ARG  22           HG2      ARG  22   2.928   9.598   5.081
  177    HG3  ARG  22           HG1      ARG  22   4.157   9.878   3.843
  178    HD2  ARG  22           HD2      ARG  22   2.720  11.462   2.724
  179    HD3  ARG  22           HD1      ARG  22   1.414  11.125   3.858
  180    HE   ARG  22           HE       ARG  22   3.420  11.958   5.469
  181   HH11  ARG  22          HH11      ARG  22   1.971  13.271   2.571
  182   HH12  ARG  22          HH12      ARG  22   2.226  14.924   3.034
  183   HH21  ARG  22          HH21      ARG  22   3.226  15.420   5.039
  184   HH22  ARG  22          HH22      ARG  22   3.738  14.145   6.098
  185    H    TYR  23           HN       TYR  23   1.023   6.044   4.291
  186    HA   TYR  23           HA       TYR  23   0.305   4.968   1.669
  187    HB2  TYR  23           HB2      TYR  23   0.541   3.242   4.138
  188    HB3  TYR  23           HB1      TYR  23   0.060   2.718   2.530
  189    HD1  TYR  23           HD1      TYR  23   2.841   3.516   4.716
  190    HD2  TYR  23           HD2      TYR  23   1.724   2.634   0.709
  191    HE1  TYR  23           HE1      TYR  23   5.184   3.035   4.175
  192    HE2  TYR  23           HE2      TYR  23   4.069   2.154   0.159
  193    HH   TYR  23           HH       TYR  23   6.291   2.650   0.959
  194    H    GLU  24           HN       GLU  24  -1.843   4.771   1.347
  195    HA   GLU  24           HA       GLU  24  -3.589   5.392   3.640
  196    HB2  GLU  24           HB2      GLU  24  -3.990   6.283   0.778
  197    HB3  GLU  24           HB1      GLU  24  -5.040   6.656   2.136
  198    HG2  GLU  24           HG2      GLU  24  -3.260   7.949   3.174
  199    HG3  GLU  24           HG1      GLU  24  -2.183   7.553   1.836
  200    H    VAL  25           HN       VAL  25  -4.374   3.414   4.088
  201    HA   VAL  25           HA       VAL  25  -5.255   1.657   1.953
  202    HB   VAL  25           HB       VAL  25  -5.351   1.292   4.952
  203   HG11  VAL  25          HG11      VAL  25  -5.789  -1.070   4.454
  204   HG12  VAL  25          HG12      VAL  25  -5.873  -0.683   2.736
  205   HG13  VAL  25          HG13      VAL  25  -7.071  -0.021   3.847
  206   HG21  VAL  25          HG21      VAL  25  -3.069   1.395   4.086
  207   HG22  VAL  25          HG22      VAL  25  -3.458   0.159   2.893
  208   HG23  VAL  25          HG23      VAL  25  -3.466  -0.241   4.609
  209    H    HIS  26           HN       HIS  26  -7.176   1.990   1.072
  210    HA   HIS  26           HA       HIS  26  -9.345   3.019   2.773
  211    HB2  HIS  26           HB2      HIS  26  -8.971   3.191  -0.220
  212    HB3  HIS  26           HB1      HIS  26 -10.418   3.719   0.620
  213    HD1  HIS  26           HD1      HIS  26  -7.611   5.137  -0.863
  214    HD2  HIS  26           HD2      HIS  26  -9.433   5.676   2.834
  215    HE1  HIS  26           HE1      HIS  26  -6.834   7.381  -0.041
  216    HE2  HIS  26           HE2      HIS  26  -7.834   7.621   2.254
  217    H    CYS  27           HN       CYS  27 -10.343   1.261   3.553
  218    HA   CYS  27           HA       CYS  27 -10.991  -0.932   1.738
  219    HB2  CYS  27           HB2      CYS  27 -11.355  -0.716   4.733
  220    HB3  CYS  27           HB1      CYS  27 -11.626  -2.157   3.763
  221    HN1  NH2  28           HN1      NH2  28 -12.678   0.815   4.322
  222    HN2  NH2  28           HN2      NH2  28 -14.212   0.868   3.522