*HEADER    DNA BINDING PROTEIN                     17-SEP-19   6UCO              
*TITLE     BACKBONE-MODIFIED VARIANT OF ZINC FINGER 2 FROM THE TRANSCRIPTION     
*TITLE    2 FACTOR SP1 DNA BINDING DOMAIN: BTD IN THE METAL-BINDING TURN         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSCRIPTION FACTOR SP1;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ZINC FINGER, HETEROGENEOUS BACKBONE, FOLDAMER, DNA BINDING PROTEIN    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    S.R.RAO,W.S.HORNE                                                     
*REVDAT   1   24-JUN-20 6UCO    0                                                
# Restraints file 1: wsh2042_unambig.tbl
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HG1) 1.429 0.255 0.255 weight 1.000 ! spec=NOESY, no=3, id=0, vol=1.190000e+10
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HD2) 1.450 0.263 0.263 weight 1.000 ! spec=NOESY, no=4, id=1, vol=1.090000e+10
    or (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HD1)
    or (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name  HD2)
    or (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name  HD1)
assign (segid "    " and resid   16 and name  HD2) (segid "    " and resid   16 and name  HD1) 1.554 0.302 0.302 weight 1.000 ! spec=NOESY, no=5, id=2, vol=7.180000e+09
assign (segid "    " and resid   29 and name  HA1) (segid "    " and resid   29 and name  HA2) 1.626 0.331 0.331 weight 1.000 ! spec=NOESY, no=6, id=3, vol=5.470000e+09
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HD2) 1.655 0.342 0.342 weight 1.000 ! spec=NOESY, no=7, id=4, vol=4.930000e+09
    or (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HD1)
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name  HB2) 1.673 0.350 0.350 weight 1.000 ! spec=NOESY, no=8, id=5, vol=4.610000e+09
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HG2) 1.678 0.352 0.352 weight 1.000 ! spec=NOESY, no=9, id=6, vol=4.530000e+09
assign (segid "    " and resid   11 and name  HA1) (segid "    " and resid   11 and name  HA2) 1.685 0.355 0.355 weight 1.000 ! spec=NOESY, no=10, id=7, vol=4.420000e+09
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name  HG2) 1.756 0.385 0.385 weight 1.000 ! spec=NOESY, no=11, id=8, vol=3.450000e+09
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   22 and name  HD2) 1.758 0.386 0.386 weight 1.000 ! spec=NOESY, no=12, id=9, vol=3.430000e+09
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name  HB2) 1.777 0.395 0.395 weight 1.000 ! spec=NOESY, no=13, id=10, vol=3.210000e+09
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HB1) 1.782 0.397 0.397 weight 1.000 ! spec=NOESY, no=14, id=11, vol=3.160000e+09
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HB2) 1.803 0.407 0.407 weight 1.000 ! spec=NOESY, no=16, id=13, vol=2.940000e+09
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HB1)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HB2)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HB1)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HG2) 1.805 0.407 0.407 weight 1.000 ! spec=NOESY, no=17, id=14, vol=2.920000e+09
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HG2)
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name  HB2) 1.840 0.423 0.423 weight 1.000 ! spec=NOESY, no=18, id=15, vol=2.610000e+09
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name  HB1) 1.846 0.426 0.426 weight 1.000 ! spec=NOESY, no=20, id=17, vol=2.560000e+09
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name  HB2) 1.868 0.436 0.436 weight 1.000 ! spec=NOESY, no=21, id=18, vol=2.380000e+09
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name  HG2) 1.873 0.439 0.439 weight 1.000 ! spec=NOESY, no=22, id=19, vol=2.340000e+09
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HB2) 1.880 0.442 0.442 weight 1.000 ! spec=NOESY, no=23, id=20, vol=2.290000e+09
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HB2) 1.884 0.444 0.444 weight 1.000 ! spec=NOESY, no=24, id=21, vol=2.260000e+09
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name  HB1) 1.887 0.445 0.445 weight 1.000 ! spec=NOESY, no=25, id=22, vol=2.240000e+09
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HB2) 1.897 0.450 0.450 weight 1.000 ! spec=NOESY, no=26, id=23, vol=2.170000e+09
    or (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HB1)
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HB2)
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HB1)
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HB2) 1.904 0.453 0.453 weight 1.000 ! spec=NOESY, no=27, id=24, vol=2.120000e+09
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HB2) 1.931 0.466 0.466 weight 1.000 ! spec=NOESY, no=28, id=25, vol=1.950000e+09
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    2 and name  HD2) 1.945 0.473 0.473 weight 1.000 ! spec=NOESY, no=29, id=26, vol=1.870000e+09
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HB1) 1.966 0.483 0.483 weight 1.000 ! spec=NOESY, no=30, id=27, vol=1.750000e+09
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HB1)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HB2) 1.966 0.483 0.483 weight 1.000 ! spec=NOESY, no=31, id=28, vol=1.750000e+09
assign (segid "    " and resid   21 and name HE21) (segid "    " and resid   21 and name HE22) 1.988 0.494 0.494 weight 1.000 ! spec=NOESY, no=32, id=29, vol=1.640000e+09
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HB2) 1.992 0.496 0.496 weight 1.000 ! spec=NOESY, no=33, id=30, vol=1.620000e+09
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HB1)
assign (segid "    " and resid   32 and name  HN1) (segid "    " and resid   32 and name  HN2) 2.027 0.513 0.513 weight 1.000 ! spec=NOESY, no=34, id=31, vol=1.460000e+09
assign (segid "    " and resid    7 and name  HH2) (segid "    " and resid    7 and name  HZ3) 2.041 0.521 0.521 weight 1.000 ! spec=NOESY, no=35, id=32, vol=1.400000e+09
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name  HD1) 2.051 0.526 0.526 weight 1.000 ! spec=NOESY, no=37, id=34, vol=1.360000e+09
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HB2) 2.094 0.548 0.548 weight 1.000 ! spec=NOESY, no=38, id=35, vol=1.200000e+09
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid   14 and name  HD1) 2.094 0.548 0.548 weight 1.000 ! spec=NOESY, no=39, id=36, vol=1.200000e+09
    or (segid "    " and resid   14 and name  HE1) (segid "    " and resid   14 and name  HD2)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HE2) 2.115 0.559 0.559 weight 1.000 ! spec=NOESY, no=40, id=37, vol=1.130000e+09
    or (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HE3)
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HE2)
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HE3)
assign (segid "    " and resid    7 and name  HE3) (segid "    " and resid    7 and name  HZ3) 2.121 0.562 0.562 weight 1.000 ! spec=NOESY, no=41, id=38, vol=1.110000e+09
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD12) 2.138 0.571 0.571 weight 1.000 ! spec=NOESY, no=42, id=39, vol=1.060000e+09
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HE1) 2.144 0.575 0.575 weight 1.000 ! spec=NOESY, no=43, id=40, vol=1.040000e+09
    or (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD22) 2.167 0.587 0.587 weight 1.000 ! spec=NOESY, no=44, id=41, vol=9.760000e+08
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name   HN) 2.185 0.597 0.597 weight 1.000 ! spec=NOESY, no=45, id=42, vol=9.290000e+08
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HB2) 2.186 0.597 0.597 weight 1.000 ! spec=NOESY, no=46, id=43, vol=9.270000e+08
    or (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HB1)
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HB2)
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HB1)
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HD2) 2.205 0.608 0.608 weight 1.000 ! spec=NOESY, no=48, id=44, vol=8.810000e+08
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HB2) 2.244 0.629 0.629 weight 1.000 ! spec=NOESY, no=49, id=45, vol=7.920000e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name   HN) 2.258 0.637 0.637 weight 1.000 ! spec=NOESY, no=50, id=46, vol=7.640000e+08
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.269 0.644 0.644 weight 1.000 ! spec=NOESY, no=51, id=47, vol=7.410000e+08
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name   HN) 2.272 0.645 0.645 weight 1.000 ! spec=NOESY, no=52, id=48, vol=7.360000e+08
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name   HA) 2.273 0.646 0.646 weight 1.000 ! spec=NOESY, no=53, id=49, vol=7.330000e+08
assign (segid "    " and resid    7 and name  HZ2) (segid "    " and resid    7 and name  HH2) 2.282 0.651 0.651 weight 1.000 ! spec=NOESY, no=54, id=50, vol=7.170000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name   HN) 2.282 0.651 0.651 weight 1.000 ! spec=NOESY, no=55, id=51, vol=7.170000e+08
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB2) 2.286 0.653 0.653 weight 1.000 ! spec=NOESY, no=56, id=52, vol=7.090000e+08
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB1)
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HB) 2.287 0.654 0.654 weight 1.000 ! spec=NOESY, no=57, id=53, vol=7.070000e+08
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HB)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HB)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name   HN) 2.290 0.656 0.656 weight 1.000 ! spec=NOESY, no=58, id=54, vol=7.010000e+08
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HD2) 2.296 0.659 0.659 weight 1.000 ! spec=NOESY, no=59, id=55, vol=6.910000e+08
    or (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name   HN) 2.302 0.662 0.662 weight 1.000 ! spec=NOESY, no=61, id=57, vol=6.800000e+08
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HA2) 2.309 0.666 0.666 weight 1.000 ! spec=NOESY, no=62, id=58, vol=6.680000e+08
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.317 0.671 0.671 weight 1.000 ! spec=NOESY, no=63, id=59, vol=6.540000e+08
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA) 2.329 0.678 0.678 weight 1.000 ! spec=NOESY, no=64, id=60, vol=6.340000e+08
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HA) 2.334 0.681 0.681 weight 1.000 ! spec=NOESY, no=65, id=61, vol=6.250000e+08
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD1) 2.362 0.698 0.698 weight 1.000 ! spec=NOESY, no=66, id=62, vol=5.820000e+08
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name  HB2) 2.366 0.700 0.700 weight 1.000 ! spec=NOESY, no=67, id=63, vol=5.760000e+08
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name  HB2)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HD1) 2.368 0.701 0.701 weight 1.000 ! spec=NOESY, no=68, id=64, vol=5.730000e+08
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN) 2.378 0.707 0.707 weight 1.000 ! spec=NOESY, no=69, id=65, vol=5.600000e+08
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HG2) 2.380 0.708 0.708 weight 1.000 ! spec=NOESY, no=70, id=66, vol=5.560000e+08
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.394 0.717 0.717 weight 1.000 ! spec=NOESY, no=71, id=67, vol=5.370000e+08
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD12) 2.399 0.719 0.719 weight 1.000 ! spec=NOESY, no=72, id=68, vol=5.310000e+08
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD1) 2.401 0.721 0.721 weight 1.000 ! spec=NOESY, no=73, id=69, vol=5.280000e+08
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name  HD2) 2.406 0.723 0.723 weight 1.000 ! spec=NOESY, no=74, id=70, vol=5.220000e+08
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name  HG2) 2.407 0.724 0.724 weight 1.000 ! spec=NOESY, no=75, id=71, vol=5.200000e+08
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HA) 2.409 0.726 0.726 weight 1.000 ! spec=NOESY, no=76, id=72, vol=5.170000e+08
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   23 and name  HD2) 2.409 0.726 0.726 weight 1.000 ! spec=NOESY, no=77, id=73, vol=5.170000e+08
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HA) 2.412 0.727 0.727 weight 1.000 ! spec=NOESY, no=79, id=75, vol=5.140000e+08
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HN) 2.413 0.728 0.728 weight 1.000 ! spec=NOESY, no=80, id=76, vol=5.130000e+08
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HA) 2.414 0.728 0.728 weight 1.000 ! spec=NOESY, no=81, id=77, vol=5.110000e+08
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 2.416 0.729 0.729 weight 1.000 ! spec=NOESY, no=82, id=78, vol=5.090000e+08
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HA) 2.420 0.732 0.732 weight 1.000 ! spec=NOESY, no=84, id=80, vol=5.040000e+08
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HA)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HA)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HN) 2.424 0.734 0.734 weight 1.000 ! spec=NOESY, no=85, id=81, vol=4.990000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HA) 2.428 0.737 0.737 weight 1.000 ! spec=NOESY, no=86, id=82, vol=4.940000e+08
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HA) 2.429 0.737 0.737 weight 1.000 ! spec=NOESY, no=87, id=83, vol=4.930000e+08
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HG2) 2.431 0.739 0.739 weight 1.000 ! spec=NOESY, no=88, id=84, vol=4.900000e+08
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HG1)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB2) 2.434 0.741 0.741 weight 1.000 ! spec=NOESY, no=89, id=85, vol=4.860000e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HA) 2.448 0.749 0.749 weight 1.000 ! spec=NOESY, no=90, id=86, vol=4.700000e+08
assign (segid "    " and resid    2 and name  HD2) (segid "    " and resid    1 and name   HA) 2.449 0.750 0.750 weight 1.000 ! spec=NOESY, no=91, id=87, vol=4.690000e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB1) 2.451 0.751 0.751 weight 1.000 ! spec=NOESY, no=92, id=88, vol=4.670000e+08
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB1) 2.451 0.751 0.751 weight 1.000 ! spec=NOESY, no=93, id=89, vol=4.660000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG2) 2.454 0.753 0.753 weight 1.000 ! spec=NOESY, no=94, id=90, vol=4.630000e+08
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HA) 2.457 0.754 0.754 weight 1.000 ! spec=NOESY, no=95, id=91, vol=4.600000e+08
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HD1) 2.460 0.757 0.757 weight 1.000 ! spec=NOESY, no=96, id=92, vol=4.560000e+08
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HD1)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name   HN) 2.468 0.761 0.761 weight 1.000 ! spec=NOESY, no=97, id=93, vol=4.480000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN) 2.469 0.762 0.762 weight 1.000 ! spec=NOESY, no=98, id=94, vol=4.460000e+08
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   17 and name   HA) 2.471 0.763 0.763 weight 1.000 ! spec=NOESY, no=99, id=95, vol=4.440000e+08
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD22) 2.475 0.766 0.766 weight 1.000 ! spec=NOESY, no=100, id=96, vol=4.400000e+08
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HN) 2.475 0.766 0.766 weight 1.000 ! spec=NOESY, no=101, id=97, vol=4.400000e+08
assign (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name HG21) 2.481 0.769 0.769 weight 1.000 ! spec=NOESY, no=102, id=98, vol=4.340000e+08
    or (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name HG22)
    or (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name HG23)
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD12) 2.486 0.772 0.772 weight 1.000 ! spec=NOESY, no=104, id=100, vol=4.290000e+08
    or (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   14 and name  HD1) (segid "    " and resid   20 and name HD13)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD12)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HA) 2.486 0.773 0.773 weight 1.000 ! spec=NOESY, no=106, id=102, vol=4.280000e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD12) 2.486 0.773 0.773 weight 1.000 ! spec=NOESY, no=107, id=103, vol=4.280000e+08
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HN) 2.487 0.773 0.773 weight 1.000 ! spec=NOESY, no=108, id=104, vol=4.270000e+08
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name  HB1) 2.488 0.774 0.774 weight 1.000 ! spec=NOESY, no=109, id=105, vol=4.260000e+08
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   18 and name   HA) 2.491 0.776 0.776 weight 1.000 ! spec=NOESY, no=110, id=106, vol=4.230000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   18 and name   HA)
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name  HD2) 2.498 0.780 0.780 weight 1.000 ! spec=NOESY, no=111, id=107, vol=4.160000e+08
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HD2)
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG21) 2.500 0.781 0.781 weight 1.000 ! spec=NOESY, no=112, id=108, vol=4.140000e+08
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HB2) 2.501 0.782 0.782 weight 1.000 ! spec=NOESY, no=113, id=109, vol=4.130000e+08
    or (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HB1)
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HA) 2.504 0.784 0.784 weight 1.000 ! spec=NOESY, no=114, id=110, vol=4.100000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name  HG2) 2.507 0.786 0.786 weight 1.000 ! spec=NOESY, no=115, id=111, vol=4.070000e+08
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   14 and name  HE1) 2.508 0.787 0.787 weight 1.000 ! spec=NOESY, no=116, id=112, vol=4.060000e+08
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HA) 2.508 0.787 0.787 weight 1.000 ! spec=NOESY, no=117, id=113, vol=4.060000e+08
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name   HN) 2.509 0.787 0.787 weight 1.000 ! spec=NOESY, no=118, id=114, vol=4.050000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB2) 2.516 0.791 0.791 weight 1.000 ! spec=NOESY, no=119, id=115, vol=3.990000e+08
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   31 and name  HE2) (segid "    " and resid   31 and name  HD2) 2.517 0.792 0.792 weight 1.000 ! spec=NOESY, no=120, id=116, vol=3.980000e+08
    or (segid "    " and resid   31 and name  HE2) (segid "    " and resid   31 and name  HD1)
    or (segid "    " and resid   31 and name  HE1) (segid "    " and resid   31 and name  HD2)
    or (segid "    " and resid   31 and name  HE1) (segid "    " and resid   31 and name  HD1)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2) 2.518 0.792 0.792 weight 1.000 ! spec=NOESY, no=121, id=117, vol=3.970000e+08
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HA) 2.520 0.794 0.794 weight 1.000 ! spec=NOESY, no=123, id=119, vol=3.950000e+08
assign (segid "    " and resid   11 and name  HA1) (segid "    " and resid   11 and name   HN) 2.521 0.794 0.794 weight 1.000 ! spec=NOESY, no=125, id=121, vol=3.940000e+08
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name   HN) 2.522 0.795 0.795 weight 1.000 ! spec=NOESY, no=126, id=122, vol=3.930000e+08
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HB2) 2.524 0.796 0.796 weight 1.000 ! spec=NOESY, no=127, id=123, vol=3.910000e+08
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HB2)
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HG2) 2.524 0.796 0.796 weight 1.000 ! spec=NOESY, no=128, id=124, vol=3.910000e+08
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HN) 2.530 0.800 0.800 weight 1.000 ! spec=NOESY, no=129, id=125, vol=3.860000e+08
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HG2) 2.535 0.803 0.803 weight 1.000 ! spec=NOESY, no=130, id=126, vol=3.810000e+08
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HG1)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   19 and name  HB1) 2.535 0.803 0.803 weight 1.000 ! spec=NOESY, no=131, id=127, vol=3.810000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HN) 2.540 0.806 0.806 weight 1.000 ! spec=NOESY, no=133, id=129, vol=3.770000e+08
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HA) 2.540 0.806 0.806 weight 1.000 ! spec=NOESY, no=134, id=130, vol=3.770000e+08
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HA) 2.550 0.813 0.813 weight 1.000 ! spec=NOESY, no=135, id=131, vol=3.680000e+08
assign (segid "    " and resid   20 and name HD22) (segid "    " and resid   20 and name  HB2) 2.550 0.813 0.813 weight 1.000 ! spec=NOESY, no=136, id=132, vol=3.680000e+08
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid   20 and name  HB2)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid   20 and name  HB2)
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name   HA) 2.556 0.816 0.816 weight 1.000 ! spec=NOESY, no=137, id=133, vol=3.630000e+08
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB1) 2.563 0.821 0.821 weight 1.000 ! spec=NOESY, no=138, id=134, vol=3.570000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name HG21) 2.570 0.826 0.826 weight 1.000 ! spec=NOESY, no=140, id=136, vol=3.510000e+08
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name HG22)
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name HG23)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name   HA) 2.570 0.826 0.826 weight 1.000 ! spec=NOESY, no=141, id=137, vol=3.510000e+08
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.571 0.826 0.826 weight 1.000 ! spec=NOESY, no=142, id=138, vol=3.500000e+08
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HA) 2.572 0.827 0.827 weight 1.000 ! spec=NOESY, no=143, id=139, vol=3.490000e+08
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.574 0.828 0.828 weight 1.000 ! spec=NOESY, no=144, id=140, vol=3.480000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid    3 and name  HB2) 2.575 0.829 0.829 weight 1.000 ! spec=NOESY, no=145, id=141, vol=3.470000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB2) 2.575 0.829 0.829 weight 1.000 ! spec=NOESY, no=146, id=142, vol=3.470000e+08
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name  HD2) 2.575 0.829 0.829 weight 1.000 ! spec=NOESY, no=147, id=143, vol=3.470000e+08
assign (segid "    " and resid   31 and name  HB2) (segid "    " and resid   31 and name  HG2) 2.576 0.830 0.830 weight 1.000 ! spec=NOESY, no=148, id=144, vol=3.460000e+08
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HN) 2.580 0.832 0.832 weight 1.000 ! spec=NOESY, no=149, id=145, vol=3.430000e+08
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   19 and name   HA) 2.584 0.834 0.834 weight 1.000 ! spec=NOESY, no=150, id=146, vol=3.400000e+08
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HD1) 2.585 0.835 0.835 weight 1.000 ! spec=NOESY, no=151, id=147, vol=3.390000e+08
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   31 and name  HB2) (segid "    " and resid   31 and name  HG1) 2.589 0.838 0.838 weight 1.000 ! spec=NOESY, no=152, id=148, vol=3.360000e+08
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HB2) 2.591 0.839 0.839 weight 1.000 ! spec=NOESY, no=153, id=149, vol=3.340000e+08
    or (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name  HB2)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HE3) 2.595 0.842 0.842 weight 1.000 ! spec=NOESY, no=155, id=151, vol=3.310000e+08
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB2) 2.601 0.845 0.845 weight 1.000 ! spec=NOESY, no=159, id=155, vol=3.270000e+08
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB2) 2.602 0.846 0.846 weight 1.000 ! spec=NOESY, no=160, id=156, vol=3.260000e+08
    or (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB1)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN) 2.607 0.850 0.850 weight 1.000 ! spec=NOESY, no=161, id=157, vol=3.220000e+08
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid   23 and name  HD2) 2.607 0.850 0.850 weight 1.000 ! spec=NOESY, no=162, id=158, vol=3.220000e+08
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HD2) 2.607 0.850 0.850 weight 1.000 ! spec=NOESY, no=163, id=159, vol=3.220000e+08
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HD1)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.610 0.851 0.851 weight 1.000 ! spec=NOESY, no=164, id=160, vol=3.200000e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB2) 2.613 0.853 0.853 weight 1.000 ! spec=NOESY, no=165, id=161, vol=3.180000e+08
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name HD12) 2.614 0.854 0.854 weight 1.000 ! spec=NOESY, no=166, id=162, vol=3.170000e+08
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HN) 2.615 0.855 0.855 weight 1.000 ! spec=NOESY, no=167, id=163, vol=3.160000e+08
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD1) 2.615 0.855 0.855 weight 1.000 ! spec=NOESY, no=168, id=164, vol=3.160000e+08
assign (segid "    " and resid    8 and name   HD) (segid "    " and resid    8 and name  HG2) 2.621 0.859 0.859 weight 1.000 ! spec=NOESY, no=169, id=165, vol=3.120000e+08
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   12 and name   HN) 2.624 0.861 0.861 weight 1.000 ! spec=NOESY, no=170, id=166, vol=3.100000e+08
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HD1) 2.625 0.861 0.861 weight 1.000 ! spec=NOESY, no=171, id=167, vol=3.090000e+08
    or (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HD2)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HD1)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 2.628 0.863 0.863 weight 1.000 ! spec=NOESY, no=172, id=168, vol=3.070000e+08
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HA) 2.634 0.867 0.867 weight 1.000 ! spec=NOESY, no=174, id=170, vol=3.030000e+08
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   16 and name   HN) 2.637 0.869 0.869 weight 1.000 ! spec=NOESY, no=175, id=171, vol=3.010000e+08
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HD2) 2.640 0.871 0.871 weight 1.000 ! spec=NOESY, no=176, id=172, vol=2.990000e+08
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name   HN) 2.643 0.873 0.873 weight 1.000 ! spec=NOESY, no=177, id=173, vol=2.970000e+08
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA) 2.650 0.878 0.878 weight 1.000 ! spec=NOESY, no=179, id=175, vol=2.920000e+08
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HN) 2.652 0.879 0.879 weight 1.000 ! spec=NOESY, no=180, id=176, vol=2.910000e+08
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN) 2.652 0.879 0.879 weight 1.000 ! spec=NOESY, no=181, id=177, vol=2.910000e+08
assign (segid "    " and resid   14 and name  HD1) (segid "    " and resid   14 and name   HN) 2.652 0.879 0.879 weight 1.000 ! spec=NOESY, no=182, id=178, vol=2.910000e+08
    or (segid "    " and resid   14 and name  HD2) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=NOESY, no=183, id=179, vol=2.900000e+08
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.656 0.882 0.882 weight 1.000 ! spec=NOESY, no=184, id=180, vol=2.880000e+08
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HA) 2.662 0.886 0.886 weight 1.000 ! spec=NOESY, no=185, id=181, vol=2.840000e+08
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HB1) 2.669 0.890 0.890 weight 1.000 ! spec=NOESY, no=187, id=183, vol=2.800000e+08
    or (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HB1)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD1) 2.672 0.892 0.892 weight 1.000 ! spec=NOESY, no=188, id=184, vol=2.780000e+08
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name  HB2) 2.673 0.893 0.893 weight 1.000 ! spec=NOESY, no=189, id=185, vol=2.770000e+08
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.680 0.898 0.898 weight 1.000 ! spec=NOESY, no=190, id=186, vol=2.730000e+08
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD12) 2.680 0.898 0.898 weight 1.000 ! spec=NOESY, no=191, id=187, vol=2.730000e+08
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HN) 2.680 0.898 0.898 weight 1.000 ! spec=NOESY, no=192, id=188, vol=2.730000e+08
assign (segid "    " and resid    8 and name   HD) (segid "    " and resid    9 and name  HB2) 2.680 0.898 0.898 weight 1.000 ! spec=NOESY, no=193, id=189, vol=2.730000e+08
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.682 0.899 0.899 weight 1.000 ! spec=NOESY, no=194, id=190, vol=2.720000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.687 0.902 0.902 weight 1.000 ! spec=NOESY, no=195, id=191, vol=2.690000e+08
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    2 and name  HG2) 2.688 0.903 0.903 weight 1.000 ! spec=NOESY, no=196, id=192, vol=2.680000e+08
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 2.692 0.906 0.906 weight 1.000 ! spec=NOESY, no=197, id=193, vol=2.660000e+08
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name   HN) 2.692 0.906 0.906 weight 1.000 ! spec=NOESY, no=198, id=194, vol=2.660000e+08
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 2.693 0.907 0.907 weight 1.000 ! spec=NOESY, no=199, id=195, vol=2.650000e+08
assign (segid "    " and resid    2 and name  HG1) (segid "    " and resid    2 and name  HD1) 2.697 0.909 0.909 weight 1.000 ! spec=NOESY, no=201, id=197, vol=2.630000e+08
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HN) 2.702 0.913 0.913 weight 1.000 ! spec=NOESY, no=202, id=198, vol=2.600000e+08
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name   HN) 2.712 0.920 0.920 weight 1.000 ! spec=NOESY, no=203, id=199, vol=2.540000e+08
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG2) 2.714 0.921 0.921 weight 1.000 ! spec=NOESY, no=204, id=200, vol=2.530000e+08
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HG1)
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HG21) 2.718 0.923 0.923 weight 1.000 ! spec=NOESY, no=205, id=201, vol=2.510000e+08
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HG22)
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name HG23)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   21 and name   HA) 2.718 0.923 0.923 weight 1.000 ! spec=NOESY, no=206, id=202, vol=2.510000e+08
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HN) 2.718 0.923 0.923 weight 1.000 ! spec=NOESY, no=207, id=203, vol=2.510000e+08
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HD2) 2.720 0.925 0.925 weight 1.000 ! spec=NOESY, no=208, id=204, vol=2.500000e+08
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HA) 2.723 0.927 0.927 weight 1.000 ! spec=NOESY, no=209, id=205, vol=2.480000e+08
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HD2) 2.725 0.928 0.928 weight 1.000 ! spec=NOESY, no=210, id=206, vol=2.470000e+08
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.727 0.929 0.929 weight 1.000 ! spec=NOESY, no=211, id=207, vol=2.460000e+08
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid    3 and name  HB1) 2.729 0.931 0.931 weight 1.000 ! spec=NOESY, no=212, id=208, vol=2.450000e+08
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name   HA) 2.731 0.932 0.932 weight 1.000 ! spec=NOESY, no=213, id=209, vol=2.440000e+08
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 2.731 0.932 0.932 weight 1.000 ! spec=NOESY, no=214, id=210, vol=2.440000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HG) 2.736 0.936 0.936 weight 1.000 ! spec=NOESY, no=215, id=211, vol=2.410000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HE3) 2.736 0.936 0.936 weight 1.000 ! spec=NOESY, no=216, id=212, vol=2.410000e+08
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HE1) 2.738 0.937 0.937 weight 1.000 ! spec=NOESY, no=217, id=213, vol=2.400000e+08
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name   HN) 2.738 0.937 0.937 weight 1.000 ! spec=NOESY, no=218, id=214, vol=2.400000e+08
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid   20 and name HD12) 2.740 0.938 0.938 weight 1.000 ! spec=NOESY, no=220, id=216, vol=2.390000e+08
    or (segid "    " and resid   14 and name  HE1) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   14 and name  HE1) (segid "    " and resid   20 and name HD13)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   20 and name HD12)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   14 and name   HZ) 2.744 0.941 0.941 weight 1.000 ! spec=NOESY, no=221, id=217, vol=2.370000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG1) 2.748 0.944 0.944 weight 1.000 ! spec=NOESY, no=222, id=218, vol=2.350000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG21) 2.748 0.944 0.944 weight 1.000 ! spec=NOESY, no=223, id=219, vol=2.350000e+08
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   20 and name  HB1) 2.748 0.944 0.944 weight 1.000 ! spec=NOESY, no=224, id=220, vol=2.350000e+08
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   20 and name  HB1)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   20 and name  HB1)
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name   HA) 2.750 0.945 0.945 weight 1.000 ! spec=NOESY, no=225, id=221, vol=2.340000e+08
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HA) 2.750 0.945 0.945 weight 1.000 ! spec=NOESY, no=226, id=222, vol=2.340000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   24 and name   HN) 2.752 0.946 0.946 weight 1.000 ! spec=NOESY, no=227, id=223, vol=2.330000e+08
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name  HB2) 2.760 0.952 0.952 weight 1.000 ! spec=NOESY, no=228, id=224, vol=2.290000e+08
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name   HN) 2.764 0.955 0.955 weight 1.000 ! spec=NOESY, no=230, id=226, vol=2.270000e+08
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HA) 2.764 0.955 0.955 weight 1.000 ! spec=NOESY, no=231, id=227, vol=2.270000e+08
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name  HE1) 2.768 0.958 0.958 weight 1.000 ! spec=NOESY, no=232, id=228, vol=2.250000e+08
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HA) 2.774 0.962 0.962 weight 1.000 ! spec=NOESY, no=234, id=230, vol=2.220000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   27 and name  HE1) 2.778 0.965 0.965 weight 1.000 ! spec=NOESY, no=235, id=231, vol=2.200000e+08
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.778 0.965 0.965 weight 1.000 ! spec=NOESY, no=236, id=232, vol=2.200000e+08
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name   HN) 2.780 0.966 0.966 weight 1.000 ! spec=NOESY, no=237, id=233, vol=2.190000e+08
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HN) 2.780 0.966 0.966 weight 1.000 ! spec=NOESY, no=238, id=234, vol=2.190000e+08
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name  HB1) 2.782 0.968 0.968 weight 1.000 ! spec=NOESY, no=239, id=235, vol=2.180000e+08
assign (segid "    " and resid   29 and name  HA1) (segid "    " and resid   29 and name   HN) 2.787 0.971 0.971 weight 1.000 ! spec=NOESY, no=241, id=237, vol=2.160000e+08
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name   HN) 2.789 0.972 0.972 weight 1.000 ! spec=NOESY, no=242, id=238, vol=2.150000e+08
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN) 2.789 0.972 0.972 weight 1.000 ! spec=NOESY, no=243, id=239, vol=2.150000e+08
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN) 2.791 0.974 0.974 weight 1.000 ! spec=NOESY, no=244, id=240, vol=2.140000e+08
assign (segid "    " and resid    7 and name  HE3) (segid "    " and resid   10 and name  HB2) 2.795 0.977 0.977 weight 1.000 ! spec=NOESY, no=246, id=241, vol=2.120000e+08
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN) 2.795 0.977 0.977 weight 1.000 ! spec=NOESY, no=247, id=242, vol=2.120000e+08
assign (segid "    " and resid    2 and name  HG2) (segid "    " and resid    2 and name  HB2) 2.802 0.981 0.981 weight 1.000 ! spec=NOESY, no=248, id=243, vol=2.090000e+08
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name   HN) 2.802 0.981 0.981 weight 1.000 ! spec=NOESY, no=249, id=244, vol=2.090000e+08
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name   HN) 2.804 0.983 0.983 weight 1.000 ! spec=NOESY, no=250, id=245, vol=2.080000e+08
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HD1) 2.806 0.985 0.985 weight 1.000 ! spec=NOESY, no=251, id=246, vol=2.070000e+08
assign (segid "    " and resid    8 and name   HD) (segid "    " and resid    8 and name  HB1) 2.806 0.985 0.985 weight 1.000 ! spec=NOESY, no=252, id=247, vol=2.070000e+08
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HA) 2.809 0.986 0.986 weight 1.000 ! spec=NOESY, no=253, id=248, vol=2.060000e+08
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid   20 and name HD22) 2.809 0.986 0.986 weight 1.000 ! spec=NOESY, no=254, id=249, vol=2.060000e+08
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid    8 and name   HD) (segid "    " and resid    8 and name  HG1) 2.816 0.991 0.991 weight 1.000 ! spec=NOESY, no=256, id=251, vol=2.030000e+08
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name   HN) 2.816 0.991 0.991 weight 1.000 ! spec=NOESY, no=257, id=252, vol=2.030000e+08
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name   HN) 2.816 0.991 0.991 weight 1.000 ! spec=NOESY, no=258, id=253, vol=2.030000e+08
assign (segid "    " and resid    1 and name  HG1) (segid "    " and resid    1 and name  HD2) 2.818 0.993 0.993 weight 1.000 ! spec=NOESY, no=259, id=254, vol=2.020000e+08
    or (segid "    " and resid    1 and name  HG1) (segid "    " and resid    1 and name  HD1)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name   HN) 2.818 0.993 0.993 weight 1.000 ! spec=NOESY, no=260, id=255, vol=2.020000e+08
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name  HE1) 2.818 0.993 0.993 weight 1.000 ! spec=NOESY, no=261, id=256, vol=2.020000e+08
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HE2) 2.823 0.996 0.996 weight 1.000 ! spec=NOESY, no=264, id=259, vol=2.000000e+08
    or (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HE1)
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   12 and name  HE2)
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   12 and name  HE1)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB1) 2.823 0.996 0.996 weight 1.000 ! spec=NOESY, no=265, id=260, vol=2.000000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HA2) 2.825 0.998 0.998 weight 1.000 ! spec=NOESY, no=266, id=261, vol=1.990000e+08
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name   HA) 2.827 0.999 0.999 weight 1.000 ! spec=NOESY, no=267, id=262, vol=1.980000e+08
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name   HN) 2.830 1.001 1.001 weight 1.000 ! spec=NOESY, no=268, id=263, vol=1.970000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name  HD1) 2.830 1.001 1.001 weight 1.000 ! spec=NOESY, no=269, id=264, vol=1.970000e+08
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   14 and name   HZ) 2.832 1.003 1.003 weight 1.000 ! spec=NOESY, no=271, id=266, vol=1.960000e+08
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   29 and name   HN) 2.837 1.006 1.006 weight 1.000 ! spec=NOESY, no=272, id=267, vol=1.940000e+08
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   13 and name   HN) 2.844 1.011 1.011 weight 1.000 ! spec=NOESY, no=273, id=268, vol=1.910000e+08
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   23 and name  HE1) 2.844 1.011 1.011 weight 1.000 ! spec=NOESY, no=274, id=269, vol=1.910000e+08
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name   HA) 2.847 1.013 1.013 weight 1.000 ! spec=NOESY, no=275, id=270, vol=1.900000e+08
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name   HA)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 2.849 1.015 1.015 weight 1.000 ! spec=NOESY, no=276, id=271, vol=1.890000e+08
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HD1) 2.852 1.017 1.017 weight 1.000 ! spec=NOESY, no=277, id=272, vol=1.880000e+08
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HB2) 2.854 1.018 1.018 weight 1.000 ! spec=NOESY, no=278, id=273, vol=1.870000e+08
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HB2)
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name  HD2) 2.857 1.020 1.020 weight 1.000 ! spec=NOESY, no=280, id=275, vol=1.860000e+08
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   27 and name  HD2) 2.860 1.022 1.022 weight 1.000 ! spec=NOESY, no=281, id=276, vol=1.850000e+08
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name   HN) 2.860 1.022 1.022 weight 1.000 ! spec=NOESY, no=282, id=277, vol=1.850000e+08
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name   HN) 2.862 1.024 1.024 weight 1.000 ! spec=NOESY, no=283, id=278, vol=1.840000e+08
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   10 and name  HB2) 2.867 1.028 1.028 weight 1.000 ! spec=NOESY, no=286, id=281, vol=1.820000e+08
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   23 and name  HE1) 2.883 1.039 1.039 weight 1.000 ! spec=NOESY, no=287, id=282, vol=1.760000e+08
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HD1) 2.883 1.039 1.039 weight 1.000 ! spec=NOESY, no=288, id=283, vol=1.760000e+08
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.886 1.041 1.041 weight 1.000 ! spec=NOESY, no=289, id=284, vol=1.750000e+08
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid   20 and name HD22) 2.886 1.041 1.041 weight 1.000 ! spec=NOESY, no=290, id=285, vol=1.750000e+08
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid   20 and name HD23)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   20 and name HD22) (segid "    " and resid    3 and name  HB1) 2.886 1.041 1.041 weight 1.000 ! spec=NOESY, no=291, id=286, vol=1.750000e+08
    or (segid "    " and resid   20 and name HD21) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid   20 and name HD23) (segid "    " and resid    3 and name  HB1)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   14 and name   HZ) 2.894 1.047 1.047 weight 1.000 ! spec=NOESY, no=293, id=288, vol=1.720000e+08
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid   14 and name   HN) 2.894 1.047 1.047 weight 1.000 ! spec=NOESY, no=294, id=289, vol=1.720000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HB1) 2.897 1.049 1.049 weight 1.000 ! spec=NOESY, no=295, id=290, vol=1.710000e+08
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HD2) 2.903 1.053 1.053 weight 1.000 ! spec=NOESY, no=297, id=292, vol=1.690000e+08
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid   17 and name   HA) 2.903 1.053 1.053 weight 1.000 ! spec=NOESY, no=299, id=294, vol=1.690000e+08
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid   17 and name   HA)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.906 1.055 1.055 weight 1.000 ! spec=NOESY, no=300, id=295, vol=1.680000e+08
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HN) 2.909 1.058 1.058 weight 1.000 ! spec=NOESY, no=301, id=296, vol=1.670000e+08
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HN) 2.909 1.058 1.058 weight 1.000 ! spec=NOESY, no=302, id=297, vol=1.670000e+08
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name  HG2) 2.912 1.060 1.060 weight 1.000 ! spec=NOESY, no=303, id=298, vol=1.660000e+08
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   27 and name   HN) 2.915 1.062 1.062 weight 1.000 ! spec=NOESY, no=304, id=299, vol=1.650000e+08
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name   HN) 2.915 1.062 1.062 weight 1.000 ! spec=NOESY, no=305, id=300, vol=1.650000e+08
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   27 and name  HD2) 2.918 1.064 1.064 weight 1.000 ! spec=NOESY, no=306, id=301, vol=1.640000e+08
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB2) 2.933 1.075 1.075 weight 1.000 ! spec=NOESY, no=308, id=303, vol=1.590000e+08
assign (segid "    " and resid    7 and name  HE3) (segid "    " and resid   10 and name  HB1) 2.933 1.075 1.075 weight 1.000 ! spec=NOESY, no=309, id=304, vol=1.590000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name  HD1) 2.936 1.077 1.077 weight 1.000 ! spec=NOESY, no=310, id=305, vol=1.580000e+08
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   19 and name  HB1) 2.936 1.077 1.077 weight 1.000 ! spec=NOESY, no=311, id=306, vol=1.580000e+08
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   27 and name   HN) 2.936 1.077 1.077 weight 1.000 ! spec=NOESY, no=312, id=307, vol=1.580000e+08
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB2) 2.936 1.077 1.077 weight 1.000 ! spec=NOESY, no=313, id=308, vol=1.580000e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.939 1.080 1.080 weight 1.000 ! spec=NOESY, no=314, id=309, vol=1.570000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   19 and name  HB1) 2.945 1.084 1.084 weight 1.000 ! spec=NOESY, no=315, id=310, vol=1.550000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HN) 2.945 1.084 1.084 weight 1.000 ! spec=NOESY, no=316, id=311, vol=1.550000e+08
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN) 2.948 1.087 1.087 weight 1.000 ! spec=NOESY, no=318, id=313, vol=1.540000e+08
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid    3 and name  HB2) 2.948 1.087 1.087 weight 1.000 ! spec=NOESY, no=319, id=314, vol=1.540000e+08
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HN) 2.955 1.091 1.091 weight 1.000 ! spec=NOESY, no=320, id=315, vol=1.520000e+08
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   31 and name   HA) 2.955 1.091 1.091 weight 1.000 ! spec=NOESY, no=321, id=316, vol=1.520000e+08
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   23 and name  HD2) 2.955 1.091 1.091 weight 1.000 ! spec=NOESY, no=322, id=317, vol=1.520000e+08
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name   HN) 2.958 1.094 1.094 weight 1.000 ! spec=NOESY, no=323, id=318, vol=1.510000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid    3 and name  HB1) 2.961 1.096 1.096 weight 1.000 ! spec=NOESY, no=324, id=319, vol=1.500000e+08
assign (segid "    " and resid    8 and name   HD) (segid "    " and resid    8 and name  HB2) 2.961 1.096 1.096 weight 1.000 ! spec=NOESY, no=325, id=320, vol=1.500000e+08
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   20 and name HD12) 2.961 1.096 1.096 weight 1.000 ! spec=NOESY, no=326, id=321, vol=1.500000e+08
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   23 and name  HD2) 2.965 1.099 1.099 weight 1.000 ! spec=NOESY, no=327, id=322, vol=1.490000e+08
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name  HG1) 2.965 1.099 1.099 weight 1.000 ! spec=NOESY, no=328, id=323, vol=1.490000e+08
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HD1) 2.968 1.101 1.101 weight 1.000 ! spec=NOESY, no=330, id=324, vol=1.480000e+08
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   20 and name   HN) 2.975 1.106 1.106 weight 1.000 ! spec=NOESY, no=331, id=325, vol=1.460000e+08
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 2.975 1.106 1.106 weight 1.000 ! spec=NOESY, no=333, id=327, vol=1.460000e+08
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name   HN) 2.978 1.109 1.109 weight 1.000 ! spec=NOESY, no=334, id=328, vol=1.450000e+08
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HE1) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=336, id=330, vol=1.440000e+08
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=337, id=331, vol=1.440000e+08
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name   HN) 2.985 1.114 1.114 weight 1.000 ! spec=NOESY, no=338, id=332, vol=1.430000e+08
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name   HN) 2.985 1.114 1.114 weight 1.000 ! spec=NOESY, no=339, id=333, vol=1.430000e+08
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name   HN) 2.988 1.116 1.116 weight 1.000 ! spec=NOESY, no=340, id=334, vol=1.420000e+08
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.988 1.116 1.116 weight 1.000 ! spec=NOESY, no=341, id=335, vol=1.420000e+08
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HE1) 2.992 1.119 1.119 weight 1.000 ! spec=NOESY, no=342, id=336, vol=1.410000e+08
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HE1)
assign (segid "    " and resid    2 and name  HD1) (segid "    " and resid    1 and name   HA) 2.996 1.122 1.122 weight 1.000 ! spec=NOESY, no=344, id=338, vol=1.400000e+08
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HN) 2.996 1.122 1.122 weight 1.000 ! spec=NOESY, no=345, id=339, vol=1.400000e+08
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid   17 and name  HB2) 2.999 1.124 1.124 weight 1.000 ! spec=NOESY, no=346, id=340, vol=1.390000e+08
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid   17 and name  HB2)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name   HN) 3.003 1.127 1.127 weight 1.000 ! spec=NOESY, no=347, id=341, vol=1.380000e+08
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HD2) 3.006 1.130 1.130 weight 1.000 ! spec=NOESY, no=348, id=342, vol=1.370000e+08
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HD1)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   14 and name   HZ) 3.006 1.130 1.130 weight 1.000 ! spec=NOESY, no=349, id=343, vol=1.370000e+08
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid   13 and name  HG2) 3.006 1.130 1.130 weight 1.000 ! spec=NOESY, no=350, id=344, vol=1.370000e+08
    or (segid "    " and resid    4 and name  HG1) (segid "    " and resid   13 and name  HG2)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HN) 3.010 1.133 1.133 weight 1.000 ! spec=NOESY, no=352, id=345, vol=1.360000e+08
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   16 and name  HG2) 3.014 1.135 1.135 weight 1.000 ! spec=NOESY, no=354, id=346, vol=1.350000e+08
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid   16 and name  HG1)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name HD12) 3.014 1.135 1.135 weight 1.000 ! spec=NOESY, no=355, id=347, vol=1.350000e+08
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   12 and name   HA) 3.017 1.138 1.138 weight 1.000 ! spec=NOESY, no=356, id=348, vol=1.340000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 3.017 1.138 1.138 weight 1.000 ! spec=NOESY, no=357, id=349, vol=1.340000e+08
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HN) 3.021 1.141 1.141 weight 1.000 ! spec=NOESY, no=358, id=350, vol=1.330000e+08
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    5 and name   HN) 3.021 1.141 1.141 weight 1.000 ! spec=NOESY, no=359, id=351, vol=1.330000e+08
    or (segid "    " and resid    4 and name  HG1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid   17 and name  HB1) 3.021 1.141 1.141 weight 1.000 ! spec=NOESY, no=360, id=352, vol=1.330000e+08
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid   17 and name  HB1)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   20 and name HD12) 3.021 1.141 1.141 weight 1.000 ! spec=NOESY, no=361, id=353, vol=1.330000e+08
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HE2) 3.025 1.144 1.144 weight 1.000 ! spec=NOESY, no=362, id=354, vol=1.320000e+08
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HE1)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name  HE2)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name  HE1)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   16 and name   HN) 3.025 1.144 1.144 weight 1.000 ! spec=NOESY, no=363, id=355, vol=1.320000e+08
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HA) 3.041 1.156 1.156 weight 1.000 ! spec=NOESY, no=366, id=358, vol=1.280000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name   HN) 3.049 1.162 1.162 weight 1.000 ! spec=NOESY, no=367, id=359, vol=1.260000e+08
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name   HN) 3.049 1.162 1.162 weight 1.000 ! spec=NOESY, no=368, id=360, vol=1.260000e+08
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   19 and name   HN) 3.053 1.165 1.165 weight 1.000 ! spec=NOESY, no=369, id=361, vol=1.250000e+08
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HD1) 3.053 1.165 1.165 weight 1.000 ! spec=NOESY, no=370, id=362, vol=1.250000e+08
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD1) 3.065 1.174 1.174 weight 1.000 ! spec=NOESY, no=371, id=363, vol=1.220000e+08
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   14 and name  HD1) 3.069 1.178 1.178 weight 1.000 ! spec=NOESY, no=372, id=364, vol=1.210000e+08
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HB2) 3.082 1.187 1.187 weight 1.000 ! spec=NOESY, no=373, id=365, vol=1.180000e+08
    or (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HN) 3.082 1.187 1.187 weight 1.000 ! spec=NOESY, no=374, id=366, vol=1.180000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HD1) 3.086 1.191 1.191 weight 1.000 ! spec=NOESY, no=376, id=368, vol=1.170000e+08
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid    5 and name   HN) 3.086 1.191 1.191 weight 1.000 ! spec=NOESY, no=377, id=369, vol=1.170000e+08
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name  HD2) 3.091 1.194 1.194 weight 1.000 ! spec=NOESY, no=378, id=370, vol=1.160000e+08
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name  HD1) 3.091 1.194 1.194 weight 1.000 ! spec=NOESY, no=380, id=372, vol=1.160000e+08
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name  HD1)
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   20 and name   HN) 3.095 1.198 1.198 weight 1.000 ! spec=NOESY, no=381, id=373, vol=1.150000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HN) 3.095 1.198 1.198 weight 1.000 ! spec=NOESY, no=382, id=374, vol=1.150000e+08
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   22 and name   HA) 3.095 1.198 1.198 weight 1.000 ! spec=NOESY, no=383, id=375, vol=1.150000e+08
    or (segid "    " and resid   25 and name  HD1) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid    7 and name  HZ2) 3.104 1.205 1.205 weight 1.000 ! spec=NOESY, no=385, id=377, vol=1.130000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HE1) 3.104 1.205 1.205 weight 1.000 ! spec=NOESY, no=386, id=378, vol=1.130000e+08
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   20 and name   HN) 3.104 1.205 1.205 weight 1.000 ! spec=NOESY, no=387, id=379, vol=1.130000e+08
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   28 and name   HN) 3.104 1.205 1.205 weight 1.000 ! spec=NOESY, no=388, id=380, vol=1.130000e+08
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HA) 3.104 1.205 1.205 weight 1.000 ! spec=NOESY, no=389, id=381, vol=1.130000e+08
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name   HN) 3.104 1.205 1.205 weight 1.000 ! spec=NOESY, no=390, id=382, vol=1.130000e+08
assign (segid "    " and resid   29 and name  HA1) (segid "    " and resid   30 and name   HN) 3.109 1.208 1.208 weight 1.000 ! spec=NOESY, no=391, id=383, vol=1.120000e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   24 and name   HN) 3.109 1.208 1.208 weight 1.000 ! spec=NOESY, no=392, id=384, vol=1.120000e+08
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD22) 3.109 1.208 1.208 weight 1.000 ! spec=NOESY, no=393, id=385, vol=1.120000e+08
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   28 and name   HB) (segid "    " and resid   28 and name   HN) 3.109 1.208 1.208 weight 1.000 ! spec=NOESY, no=394, id=386, vol=1.120000e+08
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name   HN) 3.114 1.212 1.212 weight 1.000 ! spec=NOESY, no=395, id=387, vol=1.110000e+08
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   14 and name  HE1) 3.114 1.212 1.212 weight 1.000 ! spec=NOESY, no=396, id=388, vol=1.110000e+08
    or (segid "    " and resid   12 and name  HD2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HN) 3.118 1.216 1.216 weight 1.000 ! spec=NOESY, no=397, id=389, vol=1.100000e+08
assign (segid "    " and resid   11 and name  HA2) (segid "    " and resid    4 and name  HE2) 3.123 1.219 1.219 weight 1.000 ! spec=NOESY, no=398, id=390, vol=1.090000e+08
    or (segid "    " and resid   11 and name  HA2) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid   11 and name  HA2) (segid "    " and resid    4 and name  HE3)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   19 and name  HB2) 3.128 1.223 1.223 weight 1.000 ! spec=NOESY, no=399, id=391, vol=1.080000e+08
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name   HN) 3.128 1.223 1.223 weight 1.000 ! spec=NOESY, no=400, id=392, vol=1.080000e+08
assign (segid "    " and resid    2 and name  HG1) (segid "    " and resid    2 and name  HD2) 3.128 1.223 1.223 weight 1.000 ! spec=NOESY, no=402, id=394, vol=1.080000e+08
assign (segid "    " and resid   28 and name HG21) (segid "    " and resid   28 and name   HN) 3.128 1.223 1.223 weight 1.000 ! spec=NOESY, no=403, id=395, vol=1.080000e+08
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid   28 and name   HN)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid   28 and name   HN)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name   HN) 3.133 1.227 1.227 weight 1.000 ! spec=NOESY, no=406, id=398, vol=1.070000e+08
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HD1) 3.138 1.231 1.231 weight 1.000 ! spec=NOESY, no=407, id=399, vol=1.060000e+08
    or (segid "    " and resid   14 and name   HZ) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   29 and name  HA2) (segid "    " and resid   30 and name   HN) 3.138 1.231 1.231 weight 1.000 ! spec=NOESY, no=408, id=400, vol=1.060000e+08
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HG2) 3.143 1.235 1.235 weight 1.000 ! spec=NOESY, no=409, id=401, vol=1.050000e+08
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name   HA) 3.143 1.235 1.235 weight 1.000 ! spec=NOESY, no=410, id=402, vol=1.050000e+08
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HD2) 3.148 1.238 1.238 weight 1.000 ! spec=NOESY, no=411, id=403, vol=1.040000e+08
    or (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HD1)
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   16 and name   HN) 3.148 1.238 1.238 weight 1.000 ! spec=NOESY, no=412, id=404, vol=1.040000e+08
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HE3) 3.153 1.242 1.242 weight 1.000 ! spec=NOESY, no=413, id=405, vol=1.030000e+08
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid   20 and name HD22) 3.153 1.242 1.242 weight 1.000 ! spec=NOESY, no=414, id=406, vol=1.030000e+08
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 3.153 1.242 1.242 weight 1.000 ! spec=NOESY, no=415, id=407, vol=1.030000e+08
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   24 and name   HN) 3.153 1.242 1.242 weight 1.000 ! spec=NOESY, no=416, id=408, vol=1.030000e+08
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   31 and name  HB2) (segid "    " and resid   31 and name   HA) 3.158 1.247 1.247 weight 1.000 ! spec=NOESY, no=417, id=409, vol=1.020000e+08
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HN) 3.163 1.251 1.251 weight 1.000 ! spec=NOESY, no=418, id=410, vol=1.010000e+08
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HE2) 3.163 1.251 1.251 weight 1.000 ! spec=NOESY, no=419, id=411, vol=1.010000e+08
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HE2)
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HD1) 3.163 1.251 1.251 weight 1.000 ! spec=NOESY, no=420, id=412, vol=1.010000e+08
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name   HN) 3.163 1.251 1.251 weight 1.000 ! spec=NOESY, no=421, id=413, vol=1.010000e+08
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   26 and name   HN) 3.168 1.255 1.255 weight 1.000 ! spec=NOESY, no=422, id=414, vol=1.000000e+08
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name HG21) 3.169 1.255 1.255 weight 1.000 ! spec=NOESY, no=423, id=415, vol=9.990000e+07
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name HG23)
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name   HA) 3.171 1.257 1.257 weight 1.000 ! spec=NOESY, no=424, id=416, vol=9.950000e+07
    or (segid "    " and resid   25 and name  HD1) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   20 and name   HN) 3.172 1.258 1.258 weight 1.000 ! spec=NOESY, no=425, id=417, vol=9.930000e+07
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   31 and name   HN) 3.173 1.258 1.258 weight 1.000 ! spec=NOESY, no=426, id=418, vol=9.920000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid    3 and name   HN) 3.175 1.260 1.260 weight 1.000 ! spec=NOESY, no=427, id=419, vol=9.870000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid   14 and name  HE1) 3.184 1.267 1.267 weight 1.000 ! spec=NOESY, no=428, id=420, vol=9.710000e+07
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid    8 and name   HD) (segid "    " and resid    9 and name   HA) 3.185 1.268 1.268 weight 1.000 ! spec=NOESY, no=429, id=421, vol=9.690000e+07
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name   HN) 3.189 1.271 1.271 weight 1.000 ! spec=NOESY, no=430, id=422, vol=9.620000e+07
assign (segid "    " and resid   11 and name  HA1) (segid "    " and resid   12 and name   HN) 3.190 1.272 1.272 weight 1.000 ! spec=NOESY, no=431, id=423, vol=9.590000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 3.192 1.273 1.273 weight 1.000 ! spec=NOESY, no=432, id=424, vol=9.570000e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name  HB2) 3.198 1.278 1.278 weight 1.000 ! spec=NOESY, no=435, id=427, vol=9.460000e+07
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   21 and name   HA) 3.199 1.279 1.279 weight 1.000 ! spec=NOESY, no=436, id=428, vol=9.440000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   23 and name   HN) 3.201 1.281 1.281 weight 1.000 ! spec=NOESY, no=437, id=429, vol=9.400000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid    5 and name  HB1) 3.203 1.283 1.283 weight 1.000 ! spec=NOESY, no=438, id=430, vol=9.360000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HE2) 3.212 1.290 1.290 weight 1.000 ! spec=NOESY, no=439, id=431, vol=9.210000e+07
    or (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HE1)
    or (segid "    " and resid   11 and name  HA1) (segid "    " and resid    4 and name  HE3)
assign (segid "    " and resid    7 and name  HZ2) (segid "    " and resid    7 and name  HZ3) 3.213 1.290 1.290 weight 1.000 ! spec=NOESY, no=440, id=432, vol=9.200000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD22) 3.214 1.291 1.291 weight 1.000 ! spec=NOESY, no=441, id=433, vol=9.180000e+07
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB1) 3.218 1.294 1.294 weight 1.000 ! spec=NOESY, no=442, id=434, vol=9.110000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name HG21) 3.221 1.297 1.297 weight 1.000 ! spec=NOESY, no=443, id=435, vol=9.050000e+07
    or (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name HG22)
    or (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name HG23)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   14 and name  HD1) 3.224 1.299 1.299 weight 1.000 ! spec=NOESY, no=444, id=436, vol=9.010000e+07
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   17 and name   HN) 3.233 1.306 1.306 weight 1.000 ! spec=NOESY, no=446, id=438, vol=8.860000e+07
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   30 and name  HG2) (segid "    " and resid   30 and name   HN) 3.236 1.309 1.309 weight 1.000 ! spec=NOESY, no=447, id=439, vol=8.810000e+07
    or (segid "    " and resid   30 and name  HG1) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HN) 3.236 1.309 1.309 weight 1.000 ! spec=NOESY, no=448, id=440, vol=8.810000e+07
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid    3 and name  HB1) 3.237 1.310 1.310 weight 1.000 ! spec=NOESY, no=449, id=441, vol=8.790000e+07
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid    3 and name  HB1)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   13 and name  HG1) 3.241 1.313 1.313 weight 1.000 ! spec=NOESY, no=450, id=442, vol=8.720000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   27 and name   HN) 3.245 1.316 1.316 weight 1.000 ! spec=NOESY, no=451, id=443, vol=8.660000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name  HB2) 3.246 1.317 1.317 weight 1.000 ! spec=NOESY, no=452, id=444, vol=8.650000e+07
    or (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name  HB1)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   21 and name   HN) 3.247 1.318 1.318 weight 1.000 ! spec=NOESY, no=454, id=446, vol=8.630000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name HD12) 3.249 1.319 1.319 weight 1.000 ! spec=NOESY, no=455, id=447, vol=8.600000e+07
    or (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   24 and name   HN) 3.250 1.320 1.320 weight 1.000 ! spec=NOESY, no=456, id=448, vol=8.580000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   28 and name   HN) 3.260 1.329 1.329 weight 1.000 ! spec=NOESY, no=458, id=450, vol=8.420000e+07
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HN) 3.261 1.329 1.329 weight 1.000 ! spec=NOESY, no=459, id=451, vol=8.410000e+07
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name  HB2) 3.261 1.329 1.329 weight 1.000 ! spec=NOESY, no=460, id=452, vol=8.410000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   13 and name  HG2) 3.263 1.331 1.331 weight 1.000 ! spec=NOESY, no=461, id=453, vol=8.380000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   20 and name  HB1) 3.266 1.333 1.333 weight 1.000 ! spec=NOESY, no=462, id=454, vol=8.340000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name  HB2) 3.275 1.341 1.341 weight 1.000 ! spec=NOESY, no=463, id=455, vol=8.200000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   12 and name   HN) 3.279 1.344 1.344 weight 1.000 ! spec=NOESY, no=464, id=456, vol=8.140000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    5 and name   HN) 3.282 1.347 1.347 weight 1.000 ! spec=NOESY, no=465, id=457, vol=8.090000e+07
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name  HG2) 3.286 1.349 1.349 weight 1.000 ! spec=NOESY, no=466, id=458, vol=8.040000e+07
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name  HG1)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   27 and name  HD2) 3.286 1.350 1.350 weight 1.000 ! spec=NOESY, no=467, id=459, vol=8.030000e+07
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   27 and name  HD2)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   23 and name   HN) 3.288 1.351 1.351 weight 1.000 ! spec=NOESY, no=468, id=460, vol=8.010000e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   22 and name   HN) 3.290 1.353 1.353 weight 1.000 ! spec=NOESY, no=469, id=461, vol=7.980000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   24 and name   HN) 3.304 1.364 1.364 weight 1.000 ! spec=NOESY, no=470, id=462, vol=7.780000e+07
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   24 and name   HN) 3.307 1.367 1.367 weight 1.000 ! spec=NOESY, no=471, id=463, vol=7.730000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name HG21) 3.318 1.376 1.376 weight 1.000 ! spec=NOESY, no=472, id=464, vol=7.580000e+07
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   19 and name   HN) 3.326 1.383 1.383 weight 1.000 ! spec=NOESY, no=473, id=465, vol=7.470000e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD12) 3.327 1.384 1.384 weight 1.000 ! spec=NOESY, no=474, id=466, vol=7.460000e+07
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   14 and name   HN) 3.328 1.384 1.384 weight 1.000 ! spec=NOESY, no=475, id=467, vol=7.450000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   27 and name  HD2) 3.328 1.384 1.384 weight 1.000 ! spec=NOESY, no=476, id=468, vol=7.450000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   27 and name  HD2)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   25 and name   HN) 3.334 1.390 1.390 weight 1.000 ! spec=NOESY, no=478, id=470, vol=7.360000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HD1) 3.338 1.393 1.393 weight 1.000 ! spec=NOESY, no=479, id=471, vol=7.310000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   23 and name  HD2) 3.338 1.393 1.393 weight 1.000 ! spec=NOESY, no=480, id=472, vol=7.310000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name   HN) 3.341 1.395 1.395 weight 1.000 ! spec=NOESY, no=481, id=473, vol=7.270000e+07
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HN) 3.350 1.403 1.403 weight 1.000 ! spec=NOESY, no=482, id=474, vol=7.160000e+07
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   24 and name  HB2) 3.354 1.406 1.406 weight 1.000 ! spec=NOESY, no=484, id=476, vol=7.110000e+07
    or (segid "    " and resid   20 and name HD12) (segid "    " and resid   24 and name  HB1)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   24 and name  HB2)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   24 and name  HB1)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   24 and name  HB2)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   24 and name  HB1)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   23 and name  HD2) 3.370 1.420 1.420 weight 1.000 ! spec=NOESY, no=486, id=478, vol=6.900000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   29 and name   HN) 3.379 1.427 1.427 weight 1.000 ! spec=NOESY, no=488, id=480, vol=6.800000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   26 and name   HN) 3.386 1.433 1.433 weight 1.000 ! spec=NOESY, no=489, id=481, vol=6.710000e+07
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   23 and name  HD2) 3.390 1.437 1.437 weight 1.000 ! spec=NOESY, no=490, id=482, vol=6.660000e+07
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   27 and name   HN) 3.390 1.437 1.437 weight 1.000 ! spec=NOESY, no=491, id=483, vol=6.660000e+07
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid    8 and name   HN) 3.407 1.451 1.451 weight 1.000 ! spec=NOESY, no=493, id=485, vol=6.470000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   16 and name   HN) 3.407 1.451 1.451 weight 1.000 ! spec=NOESY, no=494, id=486, vol=6.470000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   31 and name   HN) 3.412 1.455 1.455 weight 1.000 ! spec=NOESY, no=495, id=487, vol=6.410000e+07
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HE1) 3.413 1.456 1.456 weight 1.000 ! spec=NOESY, no=496, id=488, vol=6.400000e+07
    or (segid "    " and resid   19 and name  HG2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 3.414 1.457 1.457 weight 1.000 ! spec=NOESY, no=497, id=489, vol=6.390000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name  HD1) 3.434 1.474 1.474 weight 1.000 ! spec=NOESY, no=498, id=490, vol=6.170000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 3.439 1.479 1.479 weight 1.000 ! spec=NOESY, no=499, id=491, vol=6.110000e+07
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   18 and name   HN) 3.441 1.480 1.480 weight 1.000 ! spec=NOESY, no=500, id=492, vol=6.090000e+07
    or (segid "    " and resid   16 and name  HB1) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   20 and name   HN) 3.442 1.481 1.481 weight 1.000 ! spec=NOESY, no=501, id=493, vol=6.080000e+07
assign (segid "    " and resid   20 and name   HG) (segid "    " and resid   21 and name   HN) 3.443 1.482 1.482 weight 1.000 ! spec=NOESY, no=502, id=494, vol=6.070000e+07
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name   HB) 3.443 1.482 1.482 weight 1.000 ! spec=NOESY, no=503, id=495, vol=6.070000e+07
assign (segid "    " and resid   15 and name HG21) (segid "    " and resid   15 and name   HN) 3.450 1.488 1.488 weight 1.000 ! spec=NOESY, no=504, id=496, vol=6.000000e+07
    or (segid "    " and resid   15 and name HG22) (segid "    " and resid   15 and name   HN)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name   HN) 3.463 1.499 1.499 weight 1.000 ! spec=NOESY, no=506, id=498, vol=5.860000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HG1) 3.465 1.501 1.501 weight 1.000 ! spec=NOESY, no=507, id=499, vol=5.840000e+07
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   18 and name   HN) 3.469 1.505 1.505 weight 1.000 ! spec=NOESY, no=508, id=500, vol=5.800000e+07
assign (segid "    " and resid    7 and name  HE3) (segid "    " and resid   27 and name  HE1) 3.483 1.516 1.516 weight 1.000 ! spec=NOESY, no=510, id=502, vol=5.670000e+07
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    4 and name   HN) 3.483 1.516 1.516 weight 1.000 ! spec=NOESY, no=511, id=503, vol=5.670000e+07
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name  HB1) 3.484 1.517 1.517 weight 1.000 ! spec=NOESY, no=512, id=504, vol=5.660000e+07
assign (segid "    " and resid   14 and name   HZ) (segid "    " and resid   23 and name  HD2) 3.500 1.531 1.531 weight 1.000 ! spec=NOESY, no=514, id=506, vol=5.500000e+07
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid    7 and name  HD1) 3.505 1.535 1.535 weight 1.000 ! spec=NOESY, no=516, id=508, vol=5.460000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   14 and name  HD1) 3.509 1.539 1.539 weight 1.000 ! spec=NOESY, no=517, id=509, vol=5.420000e+07
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   14 and name  HD2)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HB1) 3.510 1.540 1.540 weight 1.000 ! spec=NOESY, no=518, id=510, vol=5.410000e+07
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   14 and name  HB2) 3.510 1.540 1.540 weight 1.000 ! spec=NOESY, no=519, id=511, vol=5.410000e+07
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid    5 and name   HN) 3.518 1.547 1.547 weight 1.000 ! spec=NOESY, no=520, id=512, vol=5.340000e+07
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HN) 3.521 1.550 1.550 weight 1.000 ! spec=NOESY, no=521, id=513, vol=5.310000e+07
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   23 and name  HE1) 3.531 1.558 1.558 weight 1.000 ! spec=NOESY, no=522, id=514, vol=5.220000e+07
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid   17 and name   HN) 3.560 1.584 1.584 weight 1.000 ! spec=NOESY, no=523, id=515, vol=4.970000e+07
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name   HN) 3.563 1.587 1.587 weight 1.000 ! spec=NOESY, no=524, id=516, vol=4.940000e+07
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid    5 and name   HN) 3.563 1.587 1.587 weight 1.000 ! spec=NOESY, no=525, id=517, vol=4.940000e+07
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   19 and name   HN) 3.567 1.591 1.591 weight 1.000 ! spec=NOESY, no=526, id=518, vol=4.910000e+07
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name   HN) 3.569 1.593 1.593 weight 1.000 ! spec=NOESY, no=527, id=519, vol=4.890000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HE1) 3.583 1.605 1.605 weight 1.000 ! spec=NOESY, no=529, id=521, vol=4.780000e+07
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HE1) 3.625 1.642 1.642 weight 1.000 ! spec=NOESY, no=530, id=522, vol=4.460000e+07
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid    7 and name  HD1) 3.643 1.659 1.659 weight 1.000 ! spec=NOESY, no=531, id=523, vol=4.330000e+07
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid    5 and name   HN) 3.651 1.666 1.666 weight 1.000 ! spec=NOESY, no=532, id=524, vol=4.270000e+07
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   11 and name   HN) 3.667 1.681 1.681 weight 1.000 ! spec=NOESY, no=533, id=525, vol=4.160000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   19 and name  HB2) 3.676 1.689 1.689 weight 1.000 ! spec=NOESY, no=534, id=526, vol=4.100000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HD2) 3.677 1.690 1.690 weight 1.000 ! spec=NOESY, no=535, id=527, vol=4.090000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid    4 and name  HG2) 3.682 1.695 1.695 weight 1.000 ! spec=NOESY, no=536, id=528, vol=4.060000e+07
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid    4 and name  HG1)
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name  HE1) 3.697 1.709 1.709 weight 1.000 ! spec=NOESY, no=537, id=529, vol=3.960000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   14 and name  HE1) 3.708 1.719 1.719 weight 1.000 ! spec=NOESY, no=538, id=530, vol=3.890000e+07
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid    7 and name   HN) 3.718 1.728 1.728 weight 1.000 ! spec=NOESY, no=539, id=531, vol=3.830000e+07
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   23 and name  HE1) 3.721 1.731 1.731 weight 1.000 ! spec=NOESY, no=540, id=532, vol=3.810000e+07
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   22 and name   HA) 3.731 1.740 1.740 weight 1.000 ! spec=NOESY, no=541, id=533, vol=3.750000e+07
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   29 and name  HA2) 3.733 1.742 1.742 weight 1.000 ! spec=NOESY, no=542, id=534, vol=3.740000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   23 and name  HD2) 3.738 1.746 1.746 weight 1.000 ! spec=NOESY, no=544, id=536, vol=3.710000e+07
assign (segid "    " and resid   27 and name  HD2) (segid "    " and resid   27 and name  HE1) 3.763 1.770 1.770 weight 1.000 ! spec=NOESY, no=545, id=537, vol=3.560000e+07
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   14 and name   HZ) 3.778 1.784 1.784 weight 1.000 ! spec=NOESY, no=546, id=538, vol=3.480000e+07
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   14 and name   HZ)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid   30 and name  HG2) (segid "    " and resid   30 and name   HA) 3.780 1.786 1.786 weight 1.000 ! spec=NOESY, no=547, id=539, vol=3.470000e+07
    or (segid "    " and resid   30 and name  HG1) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid   17 and name  HB2) 3.794 1.800 1.800 weight 1.000 ! spec=NOESY, no=548, id=540, vol=3.390000e+07
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   17 and name  HB2)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   27 and name  HB2) 3.796 1.801 1.801 weight 1.000 ! spec=NOESY, no=549, id=541, vol=3.380000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   27 and name  HB2)
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid   20 and name HD12) 3.804 1.808 1.808 weight 1.000 ! spec=NOESY, no=550, id=542, vol=3.340000e+07
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name  HB2) 3.807 1.812 1.812 weight 1.000 ! spec=NOESY, no=551, id=543, vol=3.320000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name HG21) 3.815 1.819 1.819 weight 1.000 ! spec=NOESY, no=552, id=544, vol=3.280000e+07
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HG2) 3.827 1.831 1.831 weight 1.000 ! spec=NOESY, no=554, id=546, vol=3.220000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name HD22) 3.833 1.836 1.836 weight 1.000 ! spec=NOESY, no=555, id=547, vol=3.190000e+07
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HD2) 3.849 1.852 1.852 weight 1.000 ! spec=NOESY, no=557, id=549, vol=3.110000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   21 and name   HN) 3.910 1.911 1.911 weight 1.000 ! spec=NOESY, no=559, id=551, vol=2.830000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HN) 3.929 1.930 1.930 weight 1.000 ! spec=NOESY, no=560, id=552, vol=2.750000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD22) 3.938 1.939 1.939 weight 1.000 ! spec=NOESY, no=562, id=554, vol=2.710000e+07
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   27 and name  HE1) 3.958 1.958 1.958 weight 1.000 ! spec=NOESY, no=564, id=555, vol=2.630000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HN) 4.168 2.171 2.171 weight 1.000 ! spec=NOESY, no=565, id=556, vol=1.930000e+07
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   19 and name  HB1) 4.193 2.198 2.198 weight 1.000 ! spec=NOESY, no=567, id=558, vol=1.860000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid    7 and name   HN) 4.323 2.336 2.336 weight 1.000 ! spec=NOESY, no=568, id=559, vol=1.550000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name HD22) 4.499 2.530 2.530 weight 1.000 ! spec=NOESY, no=569, id=560, vol=1.220000e+07
    or (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name HD23)
# Restraints file 2: wsh2042_ambig.tbl
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name  HB1) 1.795 0.403 0.403 weight 1.000 ! spec=NOESY, no=15, id=12, vol=3.020000e+09
    or (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name  HB1)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HG2)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HG1)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HG1) 2.296 0.659 0.659 weight 1.000 ! spec=NOESY, no=60, id=56, vol=6.910000e+08
    or (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HB2)
assign (segid "    " and resid    1 and name  HG1) (segid "    " and resid    2 and name  HD1) 2.486 0.773 0.773 weight 1.000 ! spec=NOESY, no=105, id=101, vol=4.280000e+08
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HA) 2.519 0.793 0.793 weight 1.000 ! spec=NOESY, no=122, id=118, vol=3.960000e+08
    or (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HD2) 2.593 0.840 0.840 weight 1.000 ! spec=NOESY, no=154, id=150, vol=3.330000e+08
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HD2)
    or (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HD1)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD12) 2.598 0.844 0.844 weight 1.000 ! spec=NOESY, no=157, id=153, vol=3.290000e+08
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   20 and name HD13)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name HD12)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   20 and name   HA) 2.632 0.866 0.866 weight 1.000 ! spec=NOESY, no=173, id=169, vol=3.040000e+08
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   20 and name   HA)
assign (segid "    " and resid   24 and name  HE2) (segid "    " and resid   20 and name HD22) 2.650 0.878 0.878 weight 1.000 ! spec=NOESY, no=178, id=174, vol=2.920000e+08
    or (segid "    " and resid   24 and name  HE2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   24 and name  HE2) (segid "    " and resid   20 and name HD23)
    or (segid "    " and resid   24 and name  HE2) (segid "    " and resid   20 and name HD12)
    or (segid "    " and resid   24 and name  HE2) (segid "    " and resid   20 and name HD11)
    or (segid "    " and resid   24 and name  HE2) (segid "    " and resid   20 and name HD13)
assign (segid "    " and resid   11 and name  HA2) (segid "    " and resid   12 and name   HN) 2.666 0.888 0.888 weight 1.000 ! spec=NOESY, no=186, id=182, vol=2.820000e+08
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HE2) 2.697 0.909 0.909 weight 1.000 ! spec=NOESY, no=200, id=196, vol=2.630000e+08
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HE2)
    or (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HD2)
    or (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name  HD1)
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HD2)
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name  HD1)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name   HA) 2.764 0.955 0.955 weight 1.000 ! spec=NOESY, no=229, id=225, vol=2.270000e+08
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   12 and name   HA)
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   12 and name   HA)
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   14 and name   HN) 2.813 0.989 0.989 weight 1.000 ! spec=NOESY, no=255, id=250, vol=2.040000e+08
    or (segid "    " and resid   25 and name  HG1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   26 and name   HN) 2.830 1.001 1.001 weight 1.000 ! spec=NOESY, no=270, id=265, vol=1.970000e+08
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   31 and name  HG2) (segid "    " and resid   31 and name   HN) 2.865 1.026 1.026 weight 1.000 ! spec=NOESY, no=284, id=279, vol=1.830000e+08
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   23 and name  HD2) 2.865 1.026 1.026 weight 1.000 ! spec=NOESY, no=285, id=280, vol=1.830000e+08
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   31 and name  HB1) (segid "    " and resid   32 and name  HN1)
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HN) 2.889 1.043 1.043 weight 1.000 ! spec=NOESY, no=292, id=287, vol=1.740000e+08
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name   HN) 2.903 1.053 1.053 weight 1.000 ! spec=NOESY, no=298, id=293, vol=1.690000e+08
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   12 and name  HB1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   12 and name  HE2) (segid "    " and resid   14 and name   HZ) 2.948 1.087 1.087 weight 1.000 ! spec=NOESY, no=317, id=312, vol=1.540000e+08
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   14 and name   HZ)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name   HZ)
assign (segid "    " and resid   12 and name  HE2) (segid "    " and resid   14 and name  HE1) 2.975 1.106 1.106 weight 1.000 ! spec=NOESY, no=332, id=326, vol=1.460000e+08
    or (segid "    " and resid   12 and name  HE2) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   12 and name  HE1) (segid "    " and resid   14 and name  HE2)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name  HE1)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   14 and name  HE2)
assign (segid "    " and resid   14 and name  HE1) (segid "    " and resid    4 and name  HG2) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=335, id=329, vol=1.440000e+08
    or (segid "    " and resid   14 and name  HE1) (segid "    " and resid    4 and name  HG1)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid    4 and name  HG2)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid    4 and name  HG1)
    or (segid "    " and resid   14 and name  HE1) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid   14 and name  HE1) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   14 and name  HE1) (segid "    " and resid   20 and name HD23)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   14 and name  HE2) (segid "    " and resid   20 and name HD23)
    or (segid "    " and resid   21 and name HE21) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid   21 and name HE21) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   21 and name HE21) (segid "    " and resid   20 and name HD23)
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   27 and name   HN) 2.992 1.119 1.119 weight 1.000 ! spec=NOESY, no=343, id=337, vol=1.410000e+08
    or (segid "    " and resid   26 and name HG22) (segid "    " and resid   27 and name   HN)
    or (segid "    " and resid   26 and name HG23) (segid "    " and resid   27 and name   HN)
    or (segid "    " and resid   28 and name HG21) (segid "    " and resid   27 and name   HN)
    or (segid "    " and resid   28 and name HG22) (segid "    " and resid   27 and name   HN)
    or (segid "    " and resid   28 and name HG23) (segid "    " and resid   27 and name   HN)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    7 and name   HN) 3.033 1.150 1.150 weight 1.000 ! spec=NOESY, no=364, id=356, vol=1.300000e+08
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name   HN) 3.037 1.153 1.153 weight 1.000 ! spec=NOESY, no=365, id=357, vol=1.290000e+08
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   19 and name  HB2) 3.128 1.223 1.223 weight 1.000 ! spec=NOESY, no=401, id=393, vol=1.080000e+08
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   19 and name  HB2)
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HN) 3.128 1.223 1.223 weight 1.000 ! spec=NOESY, no=404, id=396, vol=1.080000e+08
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    6 and name HG21) (segid "    " and resid   12 and name   HN) 3.133 1.227 1.227 weight 1.000 ! spec=NOESY, no=405, id=397, vol=1.070000e+08
    or (segid "    " and resid    6 and name HG22) (segid "    " and resid   12 and name   HN)
    or (segid "    " and resid    6 and name HG23) (segid "    " and resid   12 and name   HN)
    or (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   20 and name HD12) (segid "    " and resid   14 and name  HB2) 3.195 1.276 1.276 weight 1.000 ! spec=NOESY, no=433, id=425, vol=9.500000e+07
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   14 and name  HB2)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   14 and name  HB2)
    or (segid "    " and resid   20 and name HD12) (segid "    " and resid   24 and name   HA)
    or (segid "    " and resid   20 and name HD11) (segid "    " and resid   24 and name   HA)
    or (segid "    " and resid   20 and name HD13) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG21) 3.253 1.323 1.323 weight 1.000 ! spec=NOESY, no=457, id=449, vol=8.540000e+07
    or (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG23)
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   28 and name   HB) (segid "    " and resid   29 and name   HN) 3.354 1.406 1.406 weight 1.000 ! spec=NOESY, no=483, id=475, vol=7.110000e+07
    or (segid "    " and resid   30 and name   HA) (segid "    " and resid   29 and name   HN)
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   12 and name   HN) 3.354 1.407 1.407 weight 1.000 ! spec=NOESY, no=485, id=477, vol=7.100000e+07
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   27 and name  HE1)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name   HN) 3.371 1.421 1.421 weight 1.000 ! spec=NOESY, no=487, id=479, vol=6.890000e+07
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name   HN) 3.455 1.492 1.492 weight 1.000 ! spec=NOESY, no=505, id=497, vol=5.950000e+07
    or (segid "    " and resid   27 and name  HE1) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HN) 3.470 1.505 1.505 weight 1.000 ! spec=NOESY, no=509, id=501, vol=5.790000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   22 and name  HG2) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    7 and name  HE3) (segid "    " and resid    8 and name   HN) 3.500 1.531 1.531 weight 1.000 ! spec=NOESY, no=515, id=507, vol=5.500000e+07
    or (segid "    " and resid    7 and name  HE3) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HN) 3.573 1.596 1.596 weight 1.000 ! spec=NOESY, no=528, id=520, vol=4.860000e+07
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   26 and name HG21) 3.845 1.848 1.848 weight 1.000 ! spec=NOESY, no=556, id=548, vol=3.130000e+07
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   26 and name HG22)
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   26 and name HG23)
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD22)
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD21)
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   20 and name HD23)
# Restraints file 3: wsh2042_dihedrals.tbl
!Phi angle constraints

!F3
 assign (resid  2  and name C ) (resid  3  and name N ) 
        (resid  3  and name CA) (resid  3  and name C )   1.0  -120.0 40.0 2
!X4
 assign (resid  3  and name C ) (resid  4  and name N ) 
        (resid  4  and name CA) (resid  4  and name C )   1.0  -120.0 40.0 2
!C5
 assign (resid  4  and name C ) (resid  5  and name N ) 
        (resid  5  and name CA) (resid  5  and name C )   1.0  -65.0 25.0 2
!R13
 assign (resid 12  and name C ) (resid 13  and name N ) 
        (resid 13  and name CA) (resid 13  and name C )   1.0  -120.0 40.0 2
!R16
 assign (resid 15  and name C ) (resid 16  and name N ) 
        (resid 16  and name CA) (resid 16  and name C )   1.0  -120.0 40.0 2
!S17
 assign (resid  16  and name C ) (resid  17  and name N ) 
        (resid  17  and name CA) (resid  17  and name C )   1.0  -65.0 25.0 2
!D18
 assign (resid  17  and name C ) (resid  18  and name N ) 
        (resid  18  and name CA) (resid  18  and name C )   1.0  -65.0 25.0 2
!H23
 assign (resid  22  and name C ) (resid  23  and name N ) 
        (resid  23  and name CA) (resid  23  and name C )   1.0  -65.0 25.0 2

# Restraints file 4: wsh2042_hbonds_v2.tbl
!hairpin
assign  (resid 3 and name HN )  (resid 14 and name O )  1.9 0.1 0.1
assign  (resid 3 and name N )  (resid 14 and name O )   2.9 0.2 0.2
assign  (resid 14 and name HN )  (resid 3 and name O )  1.9 0.1 0.1
assign  (resid 14 and name N )  (resid 3 and name O )   2.9 0.2 0.2
assign  (resid 5 and name HN )  (resid 12 and name O )  1.9 0.1 0.1
assign  (resid 5 and name N )  (resid 12 and name O )   2.9 0.2 0.2
assign  (resid 11 and name HN )  (resid 5 and name O )  1.9 0.1 0.1
assign  (resid 11 and name N )  (resid 5 and name O )   2.9 0.2 0.2
assign  (resid 10 and name HN )  (resid 7 and name O )  1.9 0.1 0.1
assign  (resid 10 and name N )  (resid 7 and name O )   2.9 0.2 0.2


!helix
assign  (resid 20 and name HN )  (resid 16 and name O )  1.9 0.1 0.1
assign  (resid 20 and name N )  (resid 16 and name O )   2.9 0.2 0.2
assign  (resid 21 and name HN )  (resid 17 and name O )  1.9 0.1 0.1
assign  (resid 21 and name N )  (resid 17 and name O )   2.9 0.2 0.2
assign  (resid 22 and name HN )  (resid 18 and name O )  1.9 0.1 0.1
assign  (resid 22 and name N )  (resid 18 and name O )   2.9 0.2 0.2
assign  (resid 23 and name HN )  (resid 19 and name O )  1.9 0.1 0.1
assign  (resid 23 and name N )  (resid 19 and name O )   2.9 0.2 0.2
assign  (resid 24 and name HN )  (resid 20 and name O )  1.9 0.1 0.1
assign  (resid 24 and name N )  (resid 20 and name O )   2.9 0.2 0.2
assign  (resid 25 and name HN )  (resid 21 and name O )  1.9 0.1 0.1
assign  (resid 25 and name N )  (resid 21 and name O )   2.9 0.2 0.2
assign  (resid 25 and name HN )  (resid 22 and name O )  1.9 0.1 0.1
assign  (resid 25 and name N )  (resid 22 and name O )   2.9 0.2 0.2
assign  (resid 26 and name HN )  (resid 23 and name O )  1.9 0.1 0.1
assign  (resid 26 and name N )  (resid 23 and name O )   2.9 0.2 0.2
assign  (resid 27 and name HN )  (resid 24 and name O )  1.9 0.1 0.1
assign  (resid 27 and name N )  (resid 24 and name O )   2.9 0.2 0.2
assign  (resid 28 and name HN )  (resid 24 and name O )  1.9 0.1 0.1
assign  (resid 28 and name N )  (resid 24 and name O )   2.9 0.2 0.2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1 -13.593   5.805  -4.688
    2    H2   ARG   1           HT2      ARG   1 -12.266   5.783  -3.642
    3    H3   ARG   1           HT3      ARG   1 -13.666   4.927  -3.245
    4    HA   ARG   1           HA       ARG   1 -13.345   3.449  -5.094
    5    HB2  ARG   1           HB2      ARG   1 -10.849   5.110  -5.514
    6    HB3  ARG   1           HB1      ARG   1 -11.132   3.557  -6.288
    7    HG2  ARG   1           HG2      ARG   1 -12.889   5.981  -6.611
    8    HG3  ARG   1           HG1      ARG   1 -11.636   5.478  -7.747
    9    HD2  ARG   1           HD2      ARG   1 -14.063   3.871  -6.957
   10    HD3  ARG   1           HD1      ARG   1 -13.859   4.747  -8.472
   11    HE   ARG   1           HE       ARG   1 -11.761   3.161  -8.594
   12   HH11  ARG   1          HH11      ARG   1 -14.915   0.726  -8.099
   13   HH12  ARG   1          HH12      ARG   1 -15.028   2.380  -7.593
   14   HH21  ARG   1          HH21      ARG   1 -12.977  -0.064  -9.040
   15   HH22  ARG   1          HH22      ARG   1 -11.612   0.994  -9.241
   16    HA   PRO   2           HA       PRO   2 -11.138   1.369  -1.834
   17    HB2  PRO   2           HB2      PRO   2 -11.549  -1.167  -2.605
   18    HB3  PRO   2           HB1      PRO   2 -12.859  -0.163  -1.962
   19    HG2  PRO   2           HG2      PRO   2 -12.234  -0.893  -4.789
   20    HG3  PRO   2           HG1      PRO   2 -13.807  -0.737  -3.995
   21    HD2  PRO   2           HD2      PRO   2 -12.642   1.191  -5.610
   22    HD3  PRO   2           HD1      PRO   2 -13.917   1.502  -4.417
   23    H    PHE   3           HN       PHE   3  -9.018   1.072  -1.609
   24    HA   PHE   3           HA       PHE   3  -7.454   0.233  -3.959
   25    HB2  PHE   3           HB2      PHE   3  -6.633   1.831  -1.524
   26    HB3  PHE   3           HB1      PHE   3  -5.527   1.300  -2.778
   27    HD1  PHE   3           HD1      PHE   3  -5.588   2.283  -4.995
   28    HD2  PHE   3           HD2      PHE   3  -8.167   3.645  -1.901
   29    HE1  PHE   3           HE1      PHE   3  -6.079   4.305  -6.300
   30    HE2  PHE   3           HE2      PHE   3  -8.668   5.668  -3.204
   31    HZ   PHE   3           HZ       PHE   3  -7.622   5.999  -5.409
   32    H    NLE   4           HN       NLE   4  -5.825  -1.329  -3.700
   33    HA   NLE   4           HA       NLE   4  -5.615  -2.689  -1.137
   34    HB2  NLE   4           HB1      NLE   4  -6.451  -4.122  -3.667
   35    HB3  NLE   4           HB2      NLE   4  -7.498  -3.791  -2.295
   36    HG2  NLE   4           HG1      NLE   4  -6.048  -5.198  -0.881
   37    HG3  NLE   4           HG2      NLE   4  -5.071  -5.574  -2.303
   38    HD2  NLE   4           HD1      NLE   4  -7.021  -6.577  -3.389
   39    HD3  NLE   4           HD2      NLE   4  -8.010  -6.190  -1.972
   40    HE1  NLE   4           HE1      NLE   4  -5.597  -7.998  -2.002
   41    HE2  NLE   4           HE2      NLE   4  -7.280  -8.518  -1.921
   42    HE3  NLE   4           HE3      NLE   4  -6.573  -7.605  -0.588
   43    H    CYS   5           HN       CYS   5  -3.582  -3.254  -0.766
   44    HA   CYS   5           HA       CYS   5  -1.593  -2.973  -2.826
   45    HB2  CYS   5           HB2      CYS   5  -1.029  -2.267  -0.573
   46    HB3  CYS   5           HB1      CYS   5  -1.371  -3.875   0.051
   47    H    THR   6           HN       THR   6  -1.475  -4.515  -4.313
   48    HA   THR   6           HA       THR   6  -2.061  -7.275  -3.568
   49    HB   THR   6           HB       THR   6  -3.198  -6.291  -5.547
   50    HG1  THR   6           HG1      THR   6  -1.527  -8.557  -5.744
   51   HG21  THR   6          HG21      THR   6  -1.392  -4.871  -6.373
   52   HG22  THR   6          HG22      THR   6  -1.933  -5.985  -7.628
   53   HG23  THR   6          HG23      THR   6  -0.432  -6.299  -6.758
   54    H    TRP   7           HN       TRP   7   0.510  -5.694  -3.056
   55    HA   TRP   7           HA       TRP   7   2.560  -6.853  -4.625
   56    HB2  TRP   7           HB2      TRP   7   2.748  -4.773  -3.180
   57    HB3  TRP   7           HB1      TRP   7   2.838  -5.845  -1.790
   58    HD1  TRP   7           HD1      TRP   7   4.886  -4.528  -4.686
   59    HE1  TRP   7           HE1      TRP   7   7.338  -5.273  -4.409
   60    HE3  TRP   7           HE3      TRP   7   4.298  -7.794  -0.802
   61    HZ2  TRP   7           HZ2      TRP   7   8.816  -7.015  -2.752
   62    HZ3  TRP   7           HZ3      TRP   7   6.282  -8.956   0.068
   63    HH2  TRP   7           HH2      TRP   7   8.489  -8.577  -0.887
   64    H    NVA   8           HN       NVX   8   2.692  -9.016  -4.745
   65    HA   NVA   8           HA       NVX   8   2.859 -11.204  -4.171
   66    HB2  NVA   8           HB1      NVX   8   4.261  -9.807  -1.913
   67    HB3  NVA   8           HB2      NVX   8   4.962 -10.665  -3.276
   68    HG2  NVA   8           HG1      NVX   8   5.241 -11.916  -1.223
   69    HG3  NVA   8           HG2      NVX   8   4.176 -12.780  -2.341
   70    HD1  NVA   8           HD       NVX   8   3.441 -11.192   0.086
   71    HA   CYS   9           HA       CYX   9  -0.160 -11.965  -0.863
   72    HB2  CYS   9           HB2      CYX   9   0.888 -13.322   1.283
   73    HB3  CYS   9           HB1      CYX   9   0.634 -14.043  -0.314
   74    H    CYS  10           HN       CYS  10   0.875  -9.354  -0.469
   75    HA   CYS  10           HA       CYS  10   0.986  -8.825   2.352
   76    HB2  CYS  10           HB2      CYS  10   2.146  -7.406   0.713
   77    HB3  CYS  10           HB1      CYS  10   0.603  -6.948   0.011
   78    H    GLY  11           HN       GLY  11  -1.319  -7.622  -0.104
   79    HA2  GLY  11           HA2      GLY  11  -3.593  -7.442  -0.084
   80    HA3  GLY  11           HA1      GLY  11  -3.594  -8.764   1.065
   81    H    LYS  12           HN       LYS  12  -2.805  -5.283   1.030
   82    HA   LYS  12           HA       LYS  12  -4.552  -5.022   3.384
   83    HB2  LYS  12           HB2      LYS  12  -1.982  -3.591   2.748
   84    HB3  LYS  12           HB1      LYS  12  -3.172  -2.890   3.839
   85    HG2  LYS  12           HG2      LYS  12  -3.048  -4.941   5.216
   86    HG3  LYS  12           HG1      LYS  12  -1.746  -5.516   4.168
   87    HD2  LYS  12           HD2      LYS  12  -0.360  -3.664   4.782
   88    HD3  LYS  12           HD1      LYS  12  -1.670  -2.922   5.699
   89    HE2  LYS  12           HE2      LYS  12  -1.654  -4.782   7.267
   90    HE3  LYS  12           HE1      LYS  12  -0.404  -5.590   6.324
   91    HZ1  LYS  12           HZ1      LYS  12   1.109  -3.795   6.820
   92    HZ2  LYS  12           HZ2      LYS  12   0.503  -4.442   8.258
   93    HZ3  LYS  12           HZ3      LYS  12  -0.090  -2.968   7.680
   94    H    ARG  13           HN       ARG  13  -6.047  -3.366   3.387
   95    HA   ARG  13           HA       ARG  13  -6.491  -2.238   0.706
   96    HB2  ARG  13           HB2      ARG  13  -8.531  -2.949   2.818
   97    HB3  ARG  13           HB1      ARG  13  -8.890  -2.302   1.222
   98    HG2  ARG  13           HG2      ARG  13  -7.919  -4.303   0.200
   99    HG3  ARG  13           HG1      ARG  13  -7.584  -4.948   1.808
  100    HD2  ARG  13           HD2      ARG  13  -9.604  -5.956   1.052
  101    HD3  ARG  13           HD1      ARG  13 -10.043  -4.771   2.283
  102    HE   ARG  13           HE       ARG  13 -10.149  -3.940  -0.516
  103   HH11  ARG  13          HH11      ARG  13 -11.867  -4.875   2.385
  104   HH12  ARG  13          HH12      ARG  13 -13.393  -4.275   1.827
  105   HH21  ARG  13          HH21      ARG  13 -12.149  -3.169  -1.265
  106   HH22  ARG  13          HH22      ARG  13 -13.560  -3.315  -0.262
  107    H    PHE  14           HN       PHE  14  -7.086  -0.135   0.462
  108    HA   PHE  14           HA       PHE  14  -7.160   1.563   2.858
  109    HB2  PHE  14           HB2      PHE  14  -5.523   2.212   0.394
  110    HB3  PHE  14           HB1      PHE  14  -5.616   3.154   1.876
  111    HD1  PHE  14           HD1      PHE  14  -4.067   0.383   0.185
  112    HD2  PHE  14           HD2      PHE  14  -4.608   2.269   3.955
  113    HE1  PHE  14           HE1      PHE  14  -2.144  -0.866   1.079
  114    HE2  PHE  14           HE2      PHE  14  -2.692   1.022   4.862
  115    HZ   PHE  14           HZ       PHE  14  -1.457  -0.547   3.422
  116    H    THR  15           HN       THR  15  -8.074   3.710   2.402
  117    HA   THR  15           HA       THR  15 -10.046   3.551   0.233
  118    HB   THR  15           HB       THR  15 -11.154   5.437   1.590
  119    HG1  THR  15           HG1      THR  15 -10.054   6.044   3.284
  120   HG21  THR  15          HG21      THR  15 -10.935   2.654   2.755
  121   HG22  THR  15          HG22      THR  15 -12.069   3.177   1.508
  122   HG23  THR  15          HG23      THR  15 -12.197   3.822   3.145
  123    H    ARG  16           HN       ARG  16  -7.138   4.948   0.933
  124    HA   ARG  16           HA       ARG  16  -7.660   7.165  -0.931
  125    HB2  ARG  16           HB2      ARG  16  -5.821   7.265   1.472
  126    HB3  ARG  16           HB1      ARG  16  -6.065   8.559   0.313
  127    HG2  ARG  16           HG2      ARG  16  -8.475   8.591   1.011
  128    HG3  ARG  16           HG1      ARG  16  -8.030   7.485   2.313
  129    HD2  ARG  16           HD2      ARG  16  -7.005  10.281   1.850
  130    HD3  ARG  16           HD1      ARG  16  -8.000   9.717   3.187
  131    HE   ARG  16           HE       ARG  16  -5.960   8.249   3.700
  132   HH11  ARG  16          HH11      ARG  16  -4.236  11.811   2.974
  133   HH12  ARG  16          HH12      ARG  16  -5.836  11.493   2.387
  134   HH21  ARG  16          HH21      ARG  16  -3.106  10.207   4.163
  135   HH22  ARG  16          HH22      ARG  16  -3.836   8.656   4.476
  136    H    SER  17           HN       SER  17  -6.128   7.525  -2.475
  137    HA   SER  17           HA       SER  17  -4.368   5.369  -3.112
  138    HB2  SER  17           HB2      SER  17  -3.663   6.981  -4.978
  139    HB3  SER  17           HB1      SER  17  -5.362   6.502  -4.951
  140    HG   SER  17           HG       SER  17  -4.557   8.908  -5.057
  141    H    ASP  18           HN       ASP  18  -4.024   8.552  -1.717
  142    HA   ASP  18           HA       ASP  18  -1.216   8.727  -1.693
  143    HB2  ASP  18           HB2      ASP  18  -3.200   9.852   0.302
  144    HB3  ASP  18           HB1      ASP  18  -1.517  10.338   0.161
  145    H    GLU  19           HN       GLU  19  -3.477   7.015   0.310
  146    HA   GLU  19           HA       GLU  19  -1.608   6.479   2.422
  147    HB2  GLU  19           HB2      GLU  19  -4.187   6.603   2.583
  148    HB3  GLU  19           HB1      GLU  19  -4.164   4.968   1.940
  149    HG2  GLU  19           HG2      GLU  19  -4.329   4.907   4.337
  150    HG3  GLU  19           HG1      GLU  19  -2.771   4.259   3.825
  151    H    LEU  20           HN       LEU  20  -3.026   4.688  -0.293
  152    HA   LEU  20           HA       LEU  20  -1.666   2.268   0.132
  153    HB2  LEU  20           HB2      LEU  20  -3.487   2.314  -1.412
  154    HB3  LEU  20           HB1      LEU  20  -2.707   3.542  -2.393
  155    HG   LEU  20           HG       LEU  20  -0.950   1.904  -3.006
  156   HD11  LEU  20          HD11      LEU  20  -1.064   0.468  -1.055
  157   HD12  LEU  20          HD12      LEU  20  -1.297  -0.465  -2.534
  158   HD13  LEU  20          HD13      LEU  20  -2.682  -0.061  -1.520
  159   HD21  LEU  20          HD21      LEU  20  -3.750   0.960  -3.591
  160   HD22  LEU  20          HD22      LEU  20  -2.303   0.588  -4.526
  161   HD23  LEU  20          HD23      LEU  20  -2.902   2.245  -4.449
  162    H    GLN  21           HN       GLN  21  -0.751   5.148  -1.742
  163    HA   GLN  21           HA       GLN  21   1.688   4.121  -2.701
  164    HB2  GLN  21           HB2      GLN  21   0.747   6.108  -3.698
  165    HB3  GLN  21           HB1      GLN  21   0.838   6.972  -2.168
  166    HG2  GLN  21           HG2      GLN  21   3.261   6.901  -2.249
  167    HG3  GLN  21           HG1      GLN  21   3.201   5.975  -3.745
  168   HE21  GLN  21          HE21      GLN  21   1.006   7.464  -4.868
  169   HE22  GLN  21          HE22      GLN  21   1.632   9.011  -5.319
  170    H    ARG  22           HN       ARG  22   0.904   6.028   0.183
  171    HA   ARG  22           HA       ARG  22   3.437   6.243   1.303
  172    HB2  ARG  22           HB2      ARG  22   1.520   7.397   2.240
  173    HB3  ARG  22           HB1      ARG  22   0.766   5.869   2.658
  174    HG2  ARG  22           HG2      ARG  22   2.669   5.423   4.195
  175    HG3  ARG  22           HG1      ARG  22   3.247   7.058   3.864
  176    HD2  ARG  22           HD2      ARG  22   1.165   7.980   4.704
  177    HD3  ARG  22           HD1      ARG  22   0.540   6.359   4.986
  178    HE   ARG  22           HE       ARG  22   2.992   7.152   6.363
  179   HH11  ARG  22          HH11      ARG  22  -0.470   6.304   8.210
  180   HH12  ARG  22          HH12      ARG  22  -0.433   6.426   6.474
  181   HH21  ARG  22          HH21      ARG  22   2.942   6.974   8.645
  182   HH22  ARG  22          HH22      ARG  22   1.442   6.608   9.435
  183    H    HIS  23           HN       HIS  23   1.022   3.682   1.735
  184    HA   HIS  23           HA       HIS  23   2.560   2.032   3.397
  185    HB2  HIS  23           HB2      HIS  23   0.243   1.561   3.294
  186    HB3  HIS  23           HB1      HIS  23   0.252   1.488   1.536
  187    HD1  HIS  23           HD1      HIS  23   1.040  -0.603   4.583
  188    HD2  HIS  23           HD2      HIS  23   1.073  -0.893   0.423
  189    HE1  HIS  23           HE1      HIS  23   1.561  -3.033   4.018
  190    H    LYS  24           HN       LYS  24   2.215   2.118  -0.118
  191    HA   LYS  24           HA       LYS  24   3.658  -0.156  -0.783
  192    HB2  LYS  24           HB2      LYS  24   2.317   1.136  -2.374
  193    HB3  LYS  24           HB1      LYS  24   3.468   2.460  -2.281
  194    HG2  LYS  24           HG2      LYS  24   5.178   1.071  -3.294
  195    HG3  LYS  24           HG1      LYS  24   4.061  -0.295  -3.335
  196    HD2  LYS  24           HD2      LYS  24   4.177   0.783  -5.516
  197    HD3  LYS  24           HD1      LYS  24   2.570   0.969  -4.812
  198    HE2  LYS  24           HE2      LYS  24   3.164   3.240  -4.082
  199    HE3  LYS  24           HE1      LYS  24   4.759   3.053  -4.810
  200    HZ1  LYS  24           HZ1      LYS  24   2.175   2.971  -6.269
  201    HZ2  LYS  24           HZ2      LYS  24   3.706   2.812  -6.967
  202    HZ3  LYS  24           HZ3      LYS  24   3.252   4.274  -6.250
  203    H    ARG  25           HN       ARG  25   4.786   2.942   0.303
  204    HA   ARG  25           HA       ARG  25   7.443   2.849  -0.595
  205    HB2  ARG  25           HB2      ARG  25   6.358   4.072   1.941
  206    HB3  ARG  25           HB1      ARG  25   7.935   4.411   1.246
  207    HG2  ARG  25           HG2      ARG  25   6.917   5.408  -0.695
  208    HG3  ARG  25           HG1      ARG  25   5.309   4.966  -0.120
  209    HD2  ARG  25           HD2      ARG  25   5.712   7.290   0.359
  210    HD3  ARG  25           HD1      ARG  25   5.672   6.387   1.870
  211    HE   ARG  25           HE       ARG  25   8.238   7.063   0.585
  212   HH11  ARG  25          HH11      ARG  25   6.063   7.277   3.332
  213   HH12  ARG  25          HH12      ARG  25   7.248   8.004   4.368
  214   HH21  ARG  25          HH21      ARG  25   9.365   8.405   3.595
  215   HH22  ARG  25          HH22      ARG  25   9.797   7.991   1.958
  216    H    THR  26           HN       THR  26   5.853   0.965   1.796
  217    HA   THR  26           HA       THR  26   8.154   0.349   3.369
  218    HB   THR  26           HB       THR  26   6.826  -1.495   4.305
  219    HG1  THR  26           HG1      THR  26   4.697  -0.709   2.587
  220   HG21  THR  26          HG21      THR  26   6.500   0.756   5.207
  221   HG22  THR  26          HG22      THR  26   4.999  -0.168   5.256
  222   HG23  THR  26          HG23      THR  26   5.238   1.059   4.012
  223    H    HIS  27           HN       HIS  27   6.729  -0.960   0.450
  224    HA   HIS  27           HA       HIS  27   8.500  -3.277   0.502
  225    HB2  HIS  27           HB2      HIS  27   6.541  -2.476  -1.657
  226    HB3  HIS  27           HB1      HIS  27   7.346  -4.028  -1.493
  227    HD1  HIS  27           HD1      HIS  27   6.619  -5.251   1.022
  228    HD2  HIS  27           HD2      HIS  27   4.041  -2.549  -0.838
  229    HE1  HIS  27           HE1      HIS  27   4.287  -5.706   1.951
  230    H    THR  28           HN       THR  28   7.888  -0.394  -1.461
  231    HA   THR  28           HA       THR  28  10.555  -0.444  -2.539
  232    HB   THR  28           HB       THR  28   9.407  -2.146  -3.925
  233    HG1  THR  28           HG1      THR  28   9.821  -1.028  -6.004
  234   HG21  THR  28          HG21      THR  28   7.127  -1.300  -3.812
  235   HG22  THR  28          HG22      THR  28   7.637  -1.455  -5.492
  236   HG23  THR  28          HG23      THR  28   7.594   0.134  -4.728
  237    H    GLY  29           HN       GLY  29   9.988   1.157  -4.815
  238    HA2  GLY  29           HA2      GLY  29   9.007   3.246  -5.406
  239    HA3  GLY  29           HA1      GLY  29   8.585   3.492  -3.717
  240    H    GLU  30           HN       GLU  30  10.555   3.591  -2.229
  241    HA   GLU  30           HA       GLU  30  12.736   5.049  -3.557
  242    HB2  GLU  30           HB2      GLU  30  12.792   6.546  -1.535
  243    HB3  GLU  30           HB1      GLU  30  11.363   6.731  -2.546
  244    HG2  GLU  30           HG2      GLU  30  10.194   5.165  -0.940
  245    HG3  GLU  30           HG1      GLU  30  11.593   5.364   0.116
  246    H    LYS  31           HN       LYS  31  12.817   2.351  -2.966
  247    HA   LYS  31           HA       LYS  31  14.871   2.302  -0.868
  248    HB2  LYS  31           HB2      LYS  31  12.607   0.366  -1.299
  249    HB3  LYS  31           HB1      LYS  31  14.090  -0.136  -0.501
  250    HG2  LYS  31           HG2      LYS  31  13.750   1.574   1.208
  251    HG3  LYS  31           HG1      LYS  31  12.266   2.084   0.402
  252    HD2  LYS  31           HD2      LYS  31  11.207   0.002   0.853
  253    HD3  LYS  31           HD1      LYS  31  12.722  -0.724   1.394
  254    HE2  LYS  31           HE2      LYS  31  11.257  -0.140   3.278
  255    HE3  LYS  31           HE1      LYS  31  12.774   0.757   3.318
  256    HZ1  LYS  31           HZ1      LYS  31  10.222   1.835   2.247
  257    HZ2  LYS  31           HZ2      LYS  31  11.668   2.684   2.474
  258    HZ3  LYS  31           HZ3      LYS  31  10.804   2.123   3.808
  259    HN1  NH2  32           HN1      NH2  32  16.407   2.519  -2.480
  260    HN2  NH2  32           HN2      NH2  32  16.801   1.232  -3.572
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1 -13.058   5.606  -2.904
    2    H2   ARG   1           HT2      ARG   1 -14.271   4.447  -2.698
    3    H3   ARG   1           HT3      ARG   1 -14.329   5.506  -4.016
    4    HA   ARG   1           HA       ARG   1 -13.604   3.328  -4.708
    5    HB2  ARG   1           HB2      ARG   1 -12.739   5.323  -5.879
    6    HB3  ARG   1           HB1      ARG   1 -11.396   5.400  -4.749
    7    HG2  ARG   1           HG2      ARG   1 -10.597   3.232  -5.542
    8    HG3  ARG   1           HG1      ARG   1 -11.943   3.156  -6.679
    9    HD2  ARG   1           HD2      ARG   1 -11.130   5.137  -7.818
   10    HD3  ARG   1           HD1      ARG   1  -9.828   5.306  -6.642
   11    HE   ARG   1           HE       ARG   1  -9.781   2.765  -7.941
   12   HH11  ARG   1          HH11      ARG   1  -7.606   5.806  -9.427
   13   HH12  ARG   1          HH12      ARG   1  -8.895   6.131  -8.312
   14   HH21  ARG   1          HH21      ARG   1  -7.142   3.637 -10.046
   15   HH22  ARG   1          HH22      ARG   1  -8.070   2.326  -9.392
   16    HA   PRO   2           HA       PRO   2 -11.028   1.297  -1.669
   17    HB2  PRO   2           HB2      PRO   2 -11.178  -1.187  -2.637
   18    HB3  PRO   2           HB1      PRO   2 -12.590  -0.406  -1.903
   19    HG2  PRO   2           HG2      PRO   2 -11.927  -0.817  -4.786
   20    HG3  PRO   2           HG1      PRO   2 -13.491  -0.931  -3.971
   21    HD2  PRO   2           HD2      PRO   2 -12.586   1.270  -5.416
   22    HD3  PRO   2           HD1      PRO   2 -13.902   1.296  -4.222
   23    H    PHE   3           HN       PHE   3  -8.900   0.783  -1.509
   24    HA   PHE   3           HA       PHE   3  -7.393   0.330  -4.000
   25    HB2  PHE   3           HB2      PHE   3  -6.567   1.961  -1.588
   26    HB3  PHE   3           HB1      PHE   3  -5.493   1.534  -2.910
   27    HD1  PHE   3           HD1      PHE   3  -5.865   2.468  -5.163
   28    HD2  PHE   3           HD2      PHE   3  -8.160   3.700  -1.800
   29    HE1  PHE   3           HE1      PHE   3  -6.591   4.465  -6.396
   30    HE2  PHE   3           HE2      PHE   3  -8.895   5.698  -3.027
   31    HZ   PHE   3           HZ       PHE   3  -8.129   6.057  -5.364
   32    H    NLE   4           HN       NLE   4  -5.913  -1.311  -3.950
   33    HA   NLE   4           HA       NLE   4  -5.603  -2.739  -1.399
   34    HB2  NLE   4           HB1      NLE   4  -6.132  -4.027  -4.083
   35    HB3  NLE   4           HB2      NLE   4  -7.341  -3.807  -2.827
   36    HG2  NLE   4           HG1      NLE   4  -6.034  -5.251  -1.331
   37    HG3  NLE   4           HG2      NLE   4  -4.853  -5.492  -2.622
   38    HD2  NLE   4           HD1      NLE   4  -6.567  -6.519  -4.025
   39    HD3  NLE   4           HD2      NLE   4  -7.777  -6.244  -2.763
   40    HE1  NLE   4           HE1      NLE   4  -6.511  -7.679  -1.241
   41    HE2  NLE   4           HE2      NLE   4  -5.312  -7.961  -2.505
   42    HE3  NLE   4           HE3      NLE   4  -6.964  -8.543  -2.710
   43    H    CYS   5           HN       CYS   5  -3.600  -3.398  -0.957
   44    HA   CYS   5           HA       CYS   5  -1.467  -2.752  -2.784
   45    HB2  CYS   5           HB2      CYS   5  -1.140  -2.317  -0.421
   46    HB3  CYS   5           HB1      CYS   5  -1.448  -4.004  -0.035
   47    H    THR   6           HN       THR   6  -1.317  -4.082  -4.480
   48    HA   THR   6           HA       THR   6  -1.783  -6.927  -4.225
   49    HB   THR   6           HB       THR   6  -1.220  -6.891  -6.711
   50    HG1  THR   6           HG1      THR   6  -1.725  -4.204  -6.898
   51   HG21  THR   6          HG21      THR   6  -3.487  -5.159  -5.716
   52   HG22  THR   6          HG22      THR   6  -3.523  -6.913  -5.904
   53   HG23  THR   6          HG23      THR   6  -3.378  -5.875  -7.324
   54    H    TRP   7           HN       TRP   7   0.558  -5.682  -2.893
   55    HA   TRP   7           HA       TRP   7   2.824  -6.713  -4.366
   56    HB2  TRP   7           HB2      TRP   7   2.760  -4.602  -2.851
   57    HB3  TRP   7           HB1      TRP   7   2.916  -5.746  -1.523
   58    HD1  TRP   7           HD1      TRP   7   4.879  -4.099  -4.287
   59    HE1  TRP   7           HE1      TRP   7   7.365  -4.733  -4.074
   60    HE3  TRP   7           HE3      TRP   7   4.475  -7.718  -0.709
   61    HZ2  TRP   7           HZ2      TRP   7   8.942  -6.535  -2.572
   62    HZ3  TRP   7           HZ3      TRP   7   6.521  -8.847   0.061
   63    HH2  TRP   7           HH2      TRP   7   8.705  -8.267  -0.850
   64    H    NVA   8           HN       NVX   8   2.844  -8.888  -4.438
   65    HA   NVA   8           HA       NVX   8   2.944 -11.055  -3.799
   66    HB2  NVA   8           HB1      NVX   8   4.007  -9.676  -1.347
   67    HB3  NVA   8           HB2      NVX   8   4.915 -10.464  -2.629
   68    HG2  NVA   8           HG1      NVX   8   4.920 -11.795  -0.607
   69    HG3  NVA   8           HG2      NVX   8   4.050 -12.628  -1.901
   70    HD1  NVA   8           HD       NVX   8   2.956 -11.202   0.482
   71    HA   CYS   9           HA       CYX   9  -0.472 -11.887  -0.992
   72    HB2  CYS   9           HB2      CYX   9   0.388 -13.143   1.354
   73    HB3  CYS   9           HB1      CYX   9   0.130 -13.933  -0.207
   74    H    CYS  10           HN       CYS  10   1.043  -9.344  -0.226
   75    HA   CYS  10           HA       CYS  10   0.481  -8.784   2.482
   76    HB2  CYS  10           HB2      CYS  10   2.033  -7.449   1.124
   77    HB3  CYS  10           HB1      CYS  10   0.703  -6.918   0.113
   78    H    GLY  11           HN       GLY  11  -1.229  -7.423  -0.358
   79    HA2  GLY  11           HA2      GLY  11  -3.453  -7.018  -0.722
   80    HA3  GLY  11           HA1      GLY  11  -3.761  -8.387   0.330
   81    H    LYS  12           HN       LYS  12  -2.158  -5.394   1.272
   82    HA   LYS  12           HA       LYS  12  -4.128  -4.933   3.324
   83    HB2  LYS  12           HB2      LYS  12  -1.630  -4.440   3.529
   84    HB3  LYS  12           HB1      LYS  12  -1.923  -3.049   2.494
   85    HG2  LYS  12           HG2      LYS  12  -1.943  -2.236   4.694
   86    HG3  LYS  12           HG1      LYS  12  -3.635  -2.304   4.189
   87    HD2  LYS  12           HD2      LYS  12  -3.867  -4.461   5.365
   88    HD3  LYS  12           HD1      LYS  12  -2.191  -4.330   5.901
   89    HE2  LYS  12           HE2      LYS  12  -3.557  -3.590   7.700
   90    HE3  LYS  12           HE1      LYS  12  -2.818  -2.156   6.992
   91    HZ1  LYS  12           HZ1      LYS  12  -5.591  -3.114   6.532
   92    HZ2  LYS  12           HZ2      LYS  12  -4.890  -1.782   5.761
   93    HZ3  LYS  12           HZ3      LYS  12  -5.134  -1.757   7.433
   94    H    ARG  13           HN       ARG  13  -5.784  -3.485   3.279
   95    HA   ARG  13           HA       ARG  13  -6.263  -2.220   0.671
   96    HB2  ARG  13           HB2      ARG  13  -8.233  -2.978   2.829
   97    HB3  ARG  13           HB1      ARG  13  -8.645  -2.271   1.275
   98    HG2  ARG  13           HG2      ARG  13  -7.890  -4.221   0.119
   99    HG3  ARG  13           HG1      ARG  13  -7.261  -4.914   1.615
  100    HD2  ARG  13           HD2      ARG  13 -10.149  -4.365   0.945
  101    HD3  ARG  13           HD1      ARG  13  -9.378  -5.943   1.088
  102    HE   ARG  13           HE       ARG  13  -9.350  -4.217   3.441
  103   HH11  ARG  13          HH11      ARG  13 -10.750  -6.953   1.771
  104   HH12  ARG  13          HH12      ARG  13 -11.462  -7.627   3.204
  105   HH21  ARG  13          HH21      ARG  13 -10.274  -5.103   5.337
  106   HH22  ARG  13          HH22      ARG  13 -11.196  -6.570   5.234
  107    H    PHE  14           HN       PHE  14  -7.050  -0.140   0.527
  108    HA   PHE  14           HA       PHE  14  -7.113   1.516   2.939
  109    HB2  PHE  14           HB2      PHE  14  -5.530   2.278   0.474
  110    HB3  PHE  14           HB1      PHE  14  -5.643   3.182   1.980
  111    HD1  PHE  14           HD1      PHE  14  -4.011   0.491   0.223
  112    HD2  PHE  14           HD2      PHE  14  -4.576   2.318   4.017
  113    HE1  PHE  14           HE1      PHE  14  -2.011  -0.662   1.068
  114    HE2  PHE  14           HE2      PHE  14  -2.582   1.164   4.875
  115    HZ   PHE  14           HZ       PHE  14  -1.349  -0.406   3.408
  116    H    THR  15           HN       THR  15  -8.154   3.598   2.539
  117    HA   THR  15           HA       THR  15 -10.124   3.413   0.376
  118    HB   THR  15           HB       THR  15 -11.278   5.250   1.680
  119    HG1  THR  15           HG1      THR  15 -10.330   6.018   3.405
  120   HG21  THR  15          HG21      THR  15 -12.011   2.927   1.868
  121   HG22  THR  15          HG22      THR  15 -12.125   3.732   3.434
  122   HG23  THR  15          HG23      THR  15 -10.790   2.627   3.104
  123    H    ARG  16           HN       ARG  16  -7.247   4.915   1.142
  124    HA   ARG  16           HA       ARG  16  -7.764   7.092  -0.767
  125    HB2  ARG  16           HB2      ARG  16  -6.163   7.186   1.799
  126    HB3  ARG  16           HB1      ARG  16  -6.082   8.437   0.567
  127    HG2  ARG  16           HG2      ARG  16  -8.462   8.878   0.844
  128    HG3  ARG  16           HG1      ARG  16  -8.556   7.607   2.062
  129    HD2  ARG  16           HD2      ARG  16  -7.057   8.838   3.510
  130    HD3  ARG  16           HD1      ARG  16  -6.831  10.073   2.274
  131    HE   ARG  16           HE       ARG  16  -9.507  10.084   2.653
  132   HH11  ARG  16          HH11      ARG  16  -7.666  11.291   6.013
  133   HH12  ARG  16          HH12      ARG  16  -6.815  10.287   4.883
  134   HH21  ARG  16          HH21      ARG  16  -9.839  11.911   5.600
  135   HH22  ARG  16          HH22      ARG  16 -10.634  11.382   4.152
  136    H    SER  17           HN       SER  17  -6.270   7.407  -2.332
  137    HA   SER  17           HA       SER  17  -4.566   5.214  -2.948
  138    HB2  SER  17           HB2      SER  17  -3.891   6.782  -4.879
  139    HB3  SER  17           HB1      SER  17  -5.575   6.262  -4.800
  140    HG   SER  17           HG       SER  17  -6.085   8.283  -4.690
  141    H    ASP  18           HN       ASP  18  -4.073   8.443  -1.685
  142    HA   ASP  18           HA       ASP  18  -1.264   8.516  -1.793
  143    HB2  ASP  18           HB2      ASP  18  -3.172   9.783   0.183
  144    HB3  ASP  18           HB1      ASP  18  -1.447  10.110   0.146
  145    H    GLU  19           HN       GLU  19  -3.497   7.006   0.419
  146    HA   GLU  19           HA       GLU  19  -1.579   6.409   2.438
  147    HB2  GLU  19           HB2      GLU  19  -4.108   6.548   2.733
  148    HB3  GLU  19           HB1      GLU  19  -4.189   4.976   1.955
  149    HG2  GLU  19           HG2      GLU  19  -4.266   4.600   4.279
  150    HG3  GLU  19           HG1      GLU  19  -2.662   4.113   3.733
  151    H    LEU  20           HN       LEU  20  -3.018   4.644  -0.271
  152    HA   LEU  20           HA       LEU  20  -1.693   2.204   0.141
  153    HB2  LEU  20           HB2      LEU  20  -3.520   2.277  -1.389
  154    HB3  LEU  20           HB1      LEU  20  -2.734   3.499  -2.371
  155    HG   LEU  20           HG       LEU  20  -1.027   1.862  -3.053
  156   HD11  LEU  20          HD11      LEU  20  -2.664  -0.127  -1.489
  157   HD12  LEU  20          HD12      LEU  20  -1.061   0.466  -1.043
  158   HD13  LEU  20          HD13      LEU  20  -1.272  -0.489  -2.511
  159   HD21  LEU  20          HD21      LEU  20  -3.137   2.156  -4.342
  160   HD22  LEU  20          HD22      LEU  20  -3.796   0.764  -3.482
  161   HD23  LEU  20          HD23      LEU  20  -2.393   0.570  -4.528
  162    H    GLN  21           HN       GLN  21  -0.762   5.009  -1.855
  163    HA   GLN  21           HA       GLN  21   1.663   3.924  -2.778
  164    HB2  GLN  21           HB2      GLN  21   0.663   5.892  -3.809
  165    HB3  GLN  21           HB1      GLN  21   0.893   6.814  -2.330
  166    HG2  GLN  21           HG2      GLN  21   3.315   6.600  -2.579
  167    HG3  GLN  21           HG1      GLN  21   3.077   5.687  -4.068
  168   HE21  GLN  21          HE21      GLN  21   2.858   8.802  -2.549
  169   HE22  GLN  21          HE22      GLN  21   2.719   9.725  -4.007
  170    H    ARG  22           HN       ARG  22   0.906   5.903   0.048
  171    HA   ARG  22           HA       ARG  22   3.456   6.224   1.108
  172    HB2  ARG  22           HB2      ARG  22   1.496   7.373   1.993
  173    HB3  ARG  22           HB1      ARG  22   0.807   5.851   2.515
  174    HG2  ARG  22           HG2      ARG  22   2.647   5.582   4.117
  175    HG3  ARG  22           HG1      ARG  22   3.284   7.154   3.617
  176    HD2  ARG  22           HD2      ARG  22   1.276   8.258   4.350
  177    HD3  ARG  22           HD1      ARG  22   0.504   6.715   4.700
  178    HE   ARG  22           HE       ARG  22   2.945   7.384   6.158
  179   HH11  ARG  22          HH11      ARG  22  -0.684   7.063   7.863
  180   HH12  ARG  22          HH12      ARG  22  -0.542   6.980   6.132
  181   HH21  ARG  22          HH21      ARG  22   2.749   7.468   8.438
  182   HH22  ARG  22          HH22      ARG  22   1.182   7.342   9.168
  183    H    HIS  23           HN       HIS  23   1.076   3.680   1.788
  184    HA   HIS  23           HA       HIS  23   2.697   2.120   3.448
  185    HB2  HIS  23           HB2      HIS  23   0.402   1.648   3.543
  186    HB3  HIS  23           HB1      HIS  23   0.248   1.564   1.792
  187    HD1  HIS  23           HD1      HIS  23   0.973  -0.568   4.786
  188    HD2  HIS  23           HD2      HIS  23   1.129  -0.830   0.625
  189    HE1  HIS  23           HE1      HIS  23   1.347  -3.029   4.214
  190    H    LYS  24           HN       LYS  24   2.159   1.961  -0.059
  191    HA   LYS  24           HA       LYS  24   3.508  -0.418  -0.564
  192    HB2  LYS  24           HB2      LYS  24   2.082   0.868  -2.182
  193    HB3  LYS  24           HB1      LYS  24   3.434   1.968  -2.410
  194    HG2  LYS  24           HG2      LYS  24   3.515   0.461  -4.209
  195    HG3  LYS  24           HG1      LYS  24   4.790  -0.049  -3.101
  196    HD2  LYS  24           HD2      LYS  24   3.667  -2.018  -3.809
  197    HD3  LYS  24           HD1      LYS  24   3.149  -1.705  -2.152
  198    HE2  LYS  24           HE2      LYS  24   1.242  -2.337  -3.504
  199    HE3  LYS  24           HE1      LYS  24   1.095  -0.649  -3.017
  200    HZ1  LYS  24           HZ1      LYS  24   2.106  -1.566  -5.653
  201    HZ2  LYS  24           HZ2      LYS  24   1.832   0.037  -5.183
  202    HZ3  LYS  24           HZ3      LYS  24   0.531  -1.026  -5.361
  203    H    ARG  25           HN       ARG  25   4.742   2.792  -0.000
  204    HA   ARG  25           HA       ARG  25   7.318   2.326  -1.099
  205    HB2  ARG  25           HB2      ARG  25   6.290   4.434   0.790
  206    HB3  ARG  25           HB1      ARG  25   7.948   4.399   0.204
  207    HG2  ARG  25           HG2      ARG  25   7.146   4.561  -2.095
  208    HG3  ARG  25           HG1      ARG  25   5.483   4.592  -1.512
  209    HD2  ARG  25           HD2      ARG  25   7.541   6.614  -0.665
  210    HD3  ARG  25           HD1      ARG  25   6.537   6.828  -2.097
  211    HE   ARG  25           HE       ARG  25   4.697   6.386  -0.212
  212   HH11  ARG  25          HH11      ARG  25   7.488   8.512  -0.270
  213   HH12  ARG  25          HH12      ARG  25   6.747   9.709   0.755
  214   HH21  ARG  25          HH21      ARG  25   4.615   9.417   1.528
  215   HH22  ARG  25          HH22      ARG  25   3.708   8.012   1.081
  216    H    THR  26           HN       THR  26   5.923   1.040   1.649
  217    HA   THR  26           HA       THR  26   8.365   0.828   3.171
  218    HB   THR  26           HB       THR  26   7.171  -0.770   4.589
  219    HG1  THR  26           HG1      THR  26   4.915  -0.420   2.878
  220   HG21  THR  26          HG21      THR  26   5.467   1.625   3.901
  221   HG22  THR  26          HG22      THR  26   6.843   1.621   5.004
  222   HG23  THR  26          HG23      THR  26   5.391   0.700   5.400
  223    H    HIS  27           HN       HIS  27   6.619  -1.068   0.781
  224    HA   HIS  27           HA       HIS  27   8.358  -3.353   0.999
  225    HB2  HIS  27           HB2      HIS  27   6.517  -2.585  -1.278
  226    HB3  HIS  27           HB1      HIS  27   7.291  -4.144  -1.061
  227    HD1  HIS  27           HD1      HIS  27   6.452  -5.363   1.386
  228    HD2  HIS  27           HD2      HIS  27   4.017  -2.555  -0.499
  229    HE1  HIS  27           HE1      HIS  27   4.071  -5.780   2.223
  230    H    THR  28           HN       THR  28   7.878  -0.746  -1.335
  231    HA   THR  28           HA       THR  28  10.683  -0.703  -2.003
  232    HB   THR  28           HB       THR  28   8.638  -1.376  -4.136
  233    HG1  THR  28           HG1      THR  28  10.238  -2.935  -2.527
  234   HG21  THR  28          HG21      THR  28  10.553  -1.544  -5.641
  235   HG22  THR  28          HG22      THR  28  11.641  -1.092  -4.331
  236   HG23  THR  28          HG23      THR  28  10.464   0.071  -4.939
  237    H    GLY  29           HN       GLY  29  11.243   1.362  -2.452
  238    HA2  GLY  29           HA2      GLY  29  10.248   3.214  -4.052
  239    HA3  GLY  29           HA1      GLY  29   9.111   3.331  -2.721
  240    H    GLU  30           HN       GLU  30  10.186   3.589  -0.510
  241    HA   GLU  30           HA       GLU  30  12.573   5.270  -0.733
  242    HB2  GLU  30           HB2      GLU  30   9.952   6.093   0.516
  243    HB3  GLU  30           HB1      GLU  30  11.470   6.920   0.838
  244    HG2  GLU  30           HG2      GLU  30  11.681   7.533  -1.484
  245    HG3  GLU  30           HG1      GLU  30  10.234   6.610  -1.890
  246    H    LYS  31           HN       LYS  31  10.291   4.726   1.929
  247    HA   LYS  31           HA       LYS  31  10.561   3.993   4.048
  248    HB2  LYS  31           HB2      LYS  31  11.132   1.842   3.003
  249    HB3  LYS  31           HB1      LYS  31  12.811   2.344   2.869
  250    HG2  LYS  31           HG2      LYS  31  12.981   2.443   5.305
  251    HG3  LYS  31           HG1      LYS  31  11.296   1.943   5.440
  252    HD2  LYS  31           HD2      LYS  31  13.443   0.315   4.086
  253    HD3  LYS  31           HD1      LYS  31  12.947   0.098   5.766
  254    HE2  LYS  31           HE2      LYS  31  10.667  -0.395   5.029
  255    HE3  LYS  31           HE1      LYS  31  11.156  -0.170   3.352
  256    HZ1  LYS  31           HZ1      LYS  31  12.257  -2.234   5.176
  257    HZ2  LYS  31           HZ2      LYS  31  12.631  -2.042   3.539
  258    HZ3  LYS  31           HZ3      LYS  31  11.075  -2.510   4.001
  259    HN1  NH2  32           HN1      NH2  32  11.129   6.034   4.746
  260    HN2  NH2  32           HN2      NH2  32  12.754   6.460   5.160
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1 -14.288   5.062  -2.652
    2    H2   ARG   1           HT2      ARG   1 -12.891   5.092  -1.701
    3    H3   ARG   1           HT3      ARG   1 -14.083   3.934  -1.414
    4    HA   ARG   1           HA       ARG   1 -13.679   2.915  -3.537
    5    HB2  ARG   1           HB2      ARG   1 -12.913   5.053  -4.619
    6    HB3  ARG   1           HB1      ARG   1 -11.389   4.880  -3.763
    7    HG2  ARG   1           HG2      ARG   1 -11.062   4.085  -5.971
    8    HG3  ARG   1           HG1      ARG   1 -11.088   2.677  -4.906
    9    HD2  ARG   1           HD2      ARG   1 -12.379   2.280  -6.950
   10    HD3  ARG   1           HD1      ARG   1 -13.412   2.245  -5.521
   11    HE   ARG   1           HE       ARG   1 -13.300   4.828  -6.762
   12   HH11  ARG   1          HH11      ARG   1 -16.291   2.299  -7.637
   13   HH12  ARG   1          HH12      ARG   1 -14.854   1.694  -6.877
   14   HH21  ARG   1          HH21      ARG   1 -16.477   4.526  -8.150
   15   HH22  ARG   1          HH22      ARG   1 -15.187   5.622  -7.765
   16    HA   PRO   2           HA       PRO   2 -10.823   0.812  -0.800
   17    HB2  PRO   2           HB2      PRO   2 -11.297  -1.689  -1.650
   18    HB3  PRO   2           HB1      PRO   2 -12.458  -0.806  -0.646
   19    HG2  PRO   2           HG2      PRO   2 -12.504  -1.356  -3.572
   20    HG3  PRO   2           HG1      PRO   2 -13.847  -1.263  -2.428
   21    HD2  PRO   2           HD2      PRO   2 -13.049   0.757  -4.185
   22    HD3  PRO   2           HD1      PRO   2 -14.106   0.969  -2.773
   23    H    PHE   3           HN       PHE   3  -8.762   1.144  -1.287
   24    HA   PHE   3           HA       PHE   3  -7.653   0.211  -3.833
   25    HB2  PHE   3           HB2      PHE   3  -6.474   1.922  -1.630
   26    HB3  PHE   3           HB1      PHE   3  -5.618   1.457  -3.093
   27    HD1  PHE   3           HD1      PHE   3  -6.318   2.318  -5.272
   28    HD2  PHE   3           HD2      PHE   3  -8.123   3.650  -1.657
   29    HE1  PHE   3           HE1      PHE   3  -7.261   4.253  -6.458
   30    HE2  PHE   3           HE2      PHE   3  -9.068   5.586  -2.836
   31    HZ   PHE   3           HZ       PHE   3  -8.641   5.888  -5.242
   32    H    NLE   4           HN       NLE   4  -5.917  -1.296  -3.885
   33    HA   NLE   4           HA       NLE   4  -5.542  -2.748  -1.357
   34    HB2  NLE   4           HB1      NLE   4  -6.167  -3.978  -4.045
   35    HB3  NLE   4           HB2      NLE   4  -7.240  -3.925  -2.653
   36    HG2  NLE   4           HG1      NLE   4  -5.709  -5.354  -1.402
   37    HG3  NLE   4           HG2      NLE   4  -4.611  -5.391  -2.784
   38    HD2  NLE   4           HD1      NLE   4  -6.366  -6.451  -4.141
   39    HD3  NLE   4           HD2      NLE   4  -7.440  -6.444  -2.733
   40    HE1  NLE   4           HE1      NLE   4  -5.886  -7.863  -1.518
   41    HE2  NLE   4           HE2      NLE   4  -4.769  -7.838  -2.885
   42    HE3  NLE   4           HE3      NLE   4  -6.341  -8.620  -3.047
   43    H    CYS   5           HN       CYS   5  -3.535  -3.236  -0.894
   44    HA   CYS   5           HA       CYS   5  -1.420  -2.823  -2.807
   45    HB2  CYS   5           HB2      CYS   5  -1.061  -2.211  -0.463
   46    HB3  CYS   5           HB1      CYS   5  -1.339  -3.877   0.026
   47    H    THR   6           HN       THR   6  -1.490  -4.306  -4.390
   48    HA   THR   6           HA       THR   6  -2.056  -7.084  -3.827
   49    HB   THR   6           HB       THR   6  -1.691  -7.300  -6.347
   50    HG1  THR   6           HG1      THR   6  -1.495  -5.424  -7.506
   51   HG21  THR   6          HG21      THR   6  -3.803  -5.396  -5.323
   52   HG22  THR   6          HG22      THR   6  -3.929  -7.154  -5.405
   53   HG23  THR   6          HG23      THR   6  -3.842  -6.205  -6.888
   54    H    TRP   7           HN       TRP   7   0.554  -5.491  -3.159
   55    HA   TRP   7           HA       TRP   7   2.689  -6.725  -4.495
   56    HB2  TRP   7           HB2      TRP   7   2.825  -4.690  -3.019
   57    HB3  TRP   7           HB1      TRP   7   2.645  -5.752  -1.631
   58    HD1  TRP   7           HD1      TRP   7   5.168  -4.598  -4.203
   59    HE1  TRP   7           HE1      TRP   7   7.510  -5.437  -3.539
   60    HE3  TRP   7           HE3      TRP   7   3.843  -7.738  -0.404
   61    HZ2  TRP   7           HZ2      TRP   7   8.635  -7.208  -1.640
   62    HZ3  TRP   7           HZ3      TRP   7   5.607  -8.965   0.786
   63    HH2  TRP   7           HH2      TRP   7   7.950  -8.704   0.180
   64    H    NVA   8           HN       NVX   8   2.797  -8.894  -4.646
   65    HA   NVA   8           HA       NVX   8   2.814 -11.093  -4.099
   66    HB2  NVA   8           HB1      NVX   8   4.131  -9.742  -1.768
   67    HB3  NVA   8           HB2      NVX   8   4.866 -10.668  -3.067
   68    HG2  NVA   8           HG1      NVX   8   4.963 -11.877  -0.969
   69    HG3  NVA   8           HG2      NVX   8   3.927 -12.718  -2.134
   70    HD1  NVA   8           HD       NVX   8   3.097 -10.991   0.168
   71    HA   CYS   9           HA       CYX   9  -0.445 -11.813  -1.033
   72    HB2  CYS   9           HB2      CYX   9   0.343 -13.185   1.174
   73    HB3  CYS   9           HB1      CYX   9   0.356 -13.891  -0.450
   74    H    CYS  10           HN       CYS  10   0.925  -9.241  -0.425
   75    HA   CYS  10           HA       CYS  10   0.688  -8.702   2.347
   76    HB2  CYS  10           HB2      CYS  10   1.983  -7.314   0.741
   77    HB3  CYS  10           HB1      CYS  10   0.475  -6.781   0.019
   78    H    GLY  11           HN       GLY  11  -1.421  -7.541  -0.310
   79    HA2  GLY  11           HA2      GLY  11  -3.696  -7.351  -0.447
   80    HA3  GLY  11           HA1      GLY  11  -3.775  -8.660   0.717
   81    H    LYS  12           HN       LYS  12  -2.520  -5.362   1.038
   82    HA   LYS  12           HA       LYS  12  -4.323  -4.995   3.318
   83    HB2  LYS  12           HB2      LYS  12  -1.805  -4.660   3.553
   84    HB3  LYS  12           HB1      LYS  12  -2.001  -3.222   2.561
   85    HG2  LYS  12           HG2      LYS  12  -3.350  -2.169   4.193
   86    HG3  LYS  12           HG1      LYS  12  -3.509  -3.668   5.121
   87    HD2  LYS  12           HD2      LYS  12  -1.060  -3.617   5.513
   88    HD3  LYS  12           HD1      LYS  12  -0.995  -2.055   4.699
   89    HE2  LYS  12           HE2      LYS  12  -1.047  -1.736   7.094
   90    HE3  LYS  12           HE1      LYS  12  -2.542  -1.141   6.377
   91    HZ1  LYS  12           HZ1      LYS  12  -3.673  -3.109   7.089
   92    HZ2  LYS  12           HZ2      LYS  12  -2.879  -2.441   8.422
   93    HZ3  LYS  12           HZ3      LYS  12  -2.239  -3.802   7.653
   94    H    ARG  13           HN       ARG  13  -5.936  -3.550   3.253
   95    HA   ARG  13           HA       ARG  13  -6.312  -2.168   0.689
   96    HB2  ARG  13           HB2      ARG  13  -8.299  -3.251   2.683
   97    HB3  ARG  13           HB1      ARG  13  -8.760  -2.225   1.331
   98    HG2  ARG  13           HG2      ARG  13  -8.050  -3.850  -0.252
   99    HG3  ARG  13           HG1      ARG  13  -7.281  -4.820   1.004
  100    HD2  ARG  13           HD2      ARG  13  -9.431  -5.324   1.980
  101    HD3  ARG  13           HD1      ARG  13 -10.237  -4.255   0.836
  102    HE   ARG  13           HE       ARG  13  -9.753  -5.820  -0.904
  103   HH11  ARG  13          HH11      ARG  13  -8.957  -6.978   2.309
  104   HH12  ARG  13          HH12      ARG  13  -9.065  -8.652   1.871
  105   HH21  ARG  13          HH21      ARG  13  -9.899  -8.033  -1.478
  106   HH22  ARG  13          HH22      ARG  13  -9.601  -9.254  -0.280
  107    H    PHE  14           HN       PHE  14  -7.077  -0.099   0.595
  108    HA   PHE  14           HA       PHE  14  -7.139   1.487   3.071
  109    HB2  PHE  14           HB2      PHE  14  -5.646   2.284   0.554
  110    HB3  PHE  14           HB1      PHE  14  -5.740   3.208   2.050
  111    HD1  PHE  14           HD1      PHE  14  -4.162   0.456   0.312
  112    HD2  PHE  14           HD2      PHE  14  -4.547   2.457   4.042
  113    HE1  PHE  14           HE1      PHE  14  -2.144  -0.688   1.126
  114    HE2  PHE  14           HE2      PHE  14  -2.530   1.319   4.867
  115    HZ   PHE  14           HZ       PHE  14  -1.329  -0.255   3.405
  116    H    THR  15           HN       THR  15  -8.040   3.718   2.593
  117    HA   THR  15           HA       THR  15 -10.117   3.527   0.514
  118    HB   THR  15           HB       THR  15 -10.111   5.400   2.892
  119    HG1  THR  15           HG1      THR  15 -11.208   2.774   2.614
  120   HG21  THR  15          HG21      THR  15 -12.332   4.406   1.095
  121   HG22  THR  15          HG22      THR  15 -11.630   6.023   1.070
  122   HG23  THR  15          HG23      THR  15 -12.536   5.476   2.481
  123    H    ARG  16           HN       ARG  16  -7.180   4.894   1.160
  124    HA   ARG  16           HA       ARG  16  -7.666   7.092  -0.738
  125    HB2  ARG  16           HB2      ARG  16  -5.942   7.072   1.740
  126    HB3  ARG  16           HB1      ARG  16  -5.745   8.265   0.467
  127    HG2  ARG  16           HG2      ARG  16  -7.957   9.101   0.825
  128    HG3  ARG  16           HG1      ARG  16  -8.303   7.805   1.973
  129    HD2  ARG  16           HD2      ARG  16  -7.767   9.974   3.056
  130    HD3  ARG  16           HD1      ARG  16  -6.686   8.669   3.522
  131    HE   ARG  16           HE       ARG  16  -5.325   9.820   1.511
  132   HH11  ARG  16          HH11      ARG  16  -5.801  12.510   4.466
  133   HH12  ARG  16          HH12      ARG  16  -6.960  11.231   4.281
  134   HH21  ARG  16          HH21      ARG  16  -4.011  12.661   3.035
  135   HH22  ARG  16          HH22      ARG  16  -3.786  11.472   1.783
  136    H    SER  17           HN       SER  17  -6.338   7.186  -2.451
  137    HA   SER  17           HA       SER  17  -4.691   4.958  -3.053
  138    HB2  SER  17           HB2      SER  17  -4.114   6.326  -5.099
  139    HB3  SER  17           HB1      SER  17  -5.842   6.067  -4.846
  140    HG   SER  17           HG       SER  17  -4.658   8.350  -5.183
  141    H    ASP  18           HN       ASP  18  -4.069   8.254  -2.017
  142    HA   ASP  18           HA       ASP  18  -1.254   8.188  -2.267
  143    HB2  ASP  18           HB2      ASP  18  -1.235  10.174  -0.901
  144    HB3  ASP  18           HB1      ASP  18  -2.609  10.275  -1.991
  145    H    GLU  19           HN       GLU  19  -3.467   7.075   0.174
  146    HA   GLU  19           HA       GLU  19  -1.544   6.633   2.223
  147    HB2  GLU  19           HB2      GLU  19  -4.093   6.762   2.478
  148    HB3  GLU  19           HB1      GLU  19  -4.124   5.111   1.882
  149    HG2  GLU  19           HG2      GLU  19  -4.219   5.074   4.264
  150    HG3  GLU  19           HG1      GLU  19  -2.652   4.452   3.749
  151    H    LEU  20           HN       LEU  20  -2.992   4.663  -0.320
  152    HA   LEU  20           HA       LEU  20  -1.651   2.259   0.210
  153    HB2  LEU  20           HB2      LEU  20  -3.481   2.256  -1.313
  154    HB3  LEU  20           HB1      LEU  20  -2.712   3.451  -2.342
  155    HG   LEU  20           HG       LEU  20  -1.006   1.803  -2.990
  156   HD11  LEU  20          HD11      LEU  20  -0.987   0.472  -0.951
  157   HD12  LEU  20          HD12      LEU  20  -1.253  -0.536  -2.375
  158   HD13  LEU  20          HD13      LEU  20  -2.607  -0.127  -1.321
  159   HD21  LEU  20          HD21      LEU  20  -3.091   2.046  -4.291
  160   HD22  LEU  20          HD22      LEU  20  -3.800   0.739  -3.342
  161   HD23  LEU  20          HD23      LEU  20  -2.412   0.422  -4.377
  162    H    GLN  21           HN       GLN  21  -0.739   4.983  -1.890
  163    HA   GLN  21           HA       GLN  21   1.709   3.955  -2.787
  164    HB2  GLN  21           HB2      GLN  21   0.898   6.826  -2.277
  165    HB3  GLN  21           HB1      GLN  21   2.328   6.338  -3.176
  166    HG2  GLN  21           HG2      GLN  21   1.008   5.360  -4.895
  167    HG3  GLN  21           HG1      GLN  21  -0.466   5.553  -3.950
  168   HE21  GLN  21          HE21      GLN  21  -1.468   6.727  -5.554
  169   HE22  GLN  21          HE22      GLN  21  -1.034   8.364  -5.914
  170    H    ARG  22           HN       ARG  22   0.947   6.002  -0.010
  171    HA   ARG  22           HA       ARG  22   3.435   6.310   1.142
  172    HB2  ARG  22           HB2      ARG  22   1.376   7.412   1.917
  173    HB3  ARG  22           HB1      ARG  22   0.774   5.878   2.512
  174    HG2  ARG  22           HG2      ARG  22   2.659   5.798   4.101
  175    HG3  ARG  22           HG1      ARG  22   3.148   7.404   3.549
  176    HD2  ARG  22           HD2      ARG  22   0.944   8.277   4.213
  177    HD3  ARG  22           HD1      ARG  22   0.502   6.679   4.806
  178    HE   ARG  22           HE       ARG  22   2.875   7.945   5.939
  179   HH11  ARG  22          HH11      ARG  22  -0.484   7.236   8.034
  180   HH12  ARG  22          HH12      ARG  22  -0.487   6.989   6.310
  181   HH21  ARG  22          HH21      ARG  22   2.869   8.260   8.192
  182   HH22  ARG  22          HH22      ARG  22   1.425   7.939   9.103
  183    H    HIS  23           HN       HIS  23   1.068   3.737   1.795
  184    HA   HIS  23           HA       HIS  23   2.667   2.209   3.510
  185    HB2  HIS  23           HB2      HIS  23   0.390   1.677   3.549
  186    HB3  HIS  23           HB1      HIS  23   0.271   1.617   1.795
  187    HD1  HIS  23           HD1      HIS  23   1.002  -0.549   4.771
  188    HD2  HIS  23           HD2      HIS  23   1.172  -0.754   0.610
  189    HE1  HIS  23           HE1      HIS  23   1.426  -2.992   4.170
  190    H    LYS  24           HN       LYS  24   2.271   2.068  -0.013
  191    HA   LYS  24           HA       LYS  24   3.671  -0.311  -0.451
  192    HB2  LYS  24           HB2      LYS  24   2.238   0.785  -2.130
  193    HB3  LYS  24           HB1      LYS  24   3.429   2.066  -2.301
  194    HG2  LYS  24           HG2      LYS  24   5.053   0.454  -3.143
  195    HG3  LYS  24           HG1      LYS  24   3.870  -0.841  -2.957
  196    HD2  LYS  24           HD2      LYS  24   3.431   1.588  -4.688
  197    HD3  LYS  24           HD1      LYS  24   4.106   0.074  -5.288
  198    HE2  LYS  24           HE2      LYS  24   1.407   0.340  -3.953
  199    HE3  LYS  24           HE1      LYS  24   1.659   0.315  -5.698
  200    HZ1  LYS  24           HZ1      LYS  24   1.042  -1.864  -4.897
  201    HZ2  LYS  24           HZ2      LYS  24   2.339  -1.874  -3.812
  202    HZ3  LYS  24           HZ3      LYS  24   2.633  -1.898  -5.473
  203    H    ARG  25           HN       ARG  25   4.816   2.861   0.290
  204    HA   ARG  25           HA       ARG  25   7.437   2.626  -0.738
  205    HB2  ARG  25           HB2      ARG  25   6.427   4.255   1.593
  206    HB3  ARG  25           HB1      ARG  25   8.011   4.437   0.852
  207    HG2  ARG  25           HG2      ARG  25   6.930   5.009  -1.277
  208    HG3  ARG  25           HG1      ARG  25   5.356   4.885  -0.496
  209    HD2  ARG  25           HD2      ARG  25   5.980   6.689   1.039
  210    HD3  ARG  25           HD1      ARG  25   7.561   6.797   0.266
  211    HE   ARG  25           HE       ARG  25   5.805   7.139  -1.787
  212   HH11  ARG  25          HH11      ARG  25   6.251   8.712   1.316
  213   HH12  ARG  25          HH12      ARG  25   5.696  10.257   0.750
  214   HH21  ARG  25          HH21      ARG  25   5.030  10.514  -1.435
  215   HH22  ARG  25          HH22      ARG  25   5.095   9.170  -2.532
  216    H    THR  26           HN       THR  26   5.952   1.017   1.871
  217    HA   THR  26           HA       THR  26   8.374   0.558   3.354
  218    HB   THR  26           HB       THR  26   7.096  -1.105   4.626
  219    HG1  THR  26           HG1      THR  26   4.879  -0.453   2.949
  220   HG21  THR  26          HG21      THR  26   5.459   0.401   5.602
  221   HG22  THR  26          HG22      THR  26   5.533   1.436   4.178
  222   HG23  THR  26          HG23      THR  26   6.942   1.276   5.226
  223    H    HIS  27           HN       HIS  27   6.804  -0.875   0.630
  224    HA   HIS  27           HA       HIS  27   8.491  -3.252   0.735
  225    HB2  HIS  27           HB2      HIS  27   6.571  -2.407  -1.447
  226    HB3  HIS  27           HB1      HIS  27   7.345  -3.974  -1.283
  227    HD1  HIS  27           HD1      HIS  27   6.606  -5.127   1.287
  228    HD2  HIS  27           HD2      HIS  27   4.047  -2.501  -0.695
  229    HE1  HIS  27           HE1      HIS  27   4.257  -5.574   2.187
  230    H    THR  28           HN       THR  28   7.895  -0.474  -1.374
  231    HA   THR  28           HA       THR  28  10.693  -0.558  -2.181
  232    HB   THR  28           HB       THR  28   9.649  -1.735  -3.979
  233    HG1  THR  28           HG1      THR  28  11.188  -0.025  -4.503
  234   HG21  THR  28          HG21      THR  28   7.685   0.552  -4.136
  235   HG22  THR  28          HG22      THR  28   7.334  -1.117  -3.690
  236   HG23  THR  28          HG23      THR  28   7.829  -0.731  -5.337
  237    H    GLY  29           HN       GLY  29  11.147   1.242  -1.002
  238    HA2  GLY  29           HA2      GLY  29  10.423   3.760  -2.191
  239    HA3  GLY  29           HA1      GLY  29   9.725   3.522  -0.597
  240    H    GLU  30           HN       GLU  30  12.861   3.017  -2.185
  241    HA   GLU  30           HA       GLU  30  14.172   4.636  -0.164
  242    HB2  GLU  30           HB2      GLU  30  15.807   2.808   0.363
  243    HB3  GLU  30           HB1      GLU  30  14.175   2.488   0.943
  244    HG2  GLU  30           HG2      GLU  30  13.803   1.067  -1.060
  245    HG3  GLU  30           HG1      GLU  30  15.489   1.322  -1.504
  246    H    LYS  31           HN       LYS  31  13.704   4.738  -3.043
  247    HA   LYS  31           HA       LYS  31  16.275   4.107  -4.248
  248    HB2  LYS  31           HB2      LYS  31  13.753   5.242  -5.473
  249    HB3  LYS  31           HB1      LYS  31  15.187   4.759  -6.364
  250    HG2  LYS  31           HG2      LYS  31  14.874   2.453  -5.629
  251    HG3  LYS  31           HG1      LYS  31  13.438   2.934  -4.724
  252    HD2  LYS  31           HD2      LYS  31  12.360   3.638  -6.797
  253    HD3  LYS  31           HD1      LYS  31  13.803   3.190  -7.709
  254    HE2  LYS  31           HE2      LYS  31  13.523   0.863  -7.019
  255    HE3  LYS  31           HE1      LYS  31  12.096   1.305  -6.084
  256    HZ1  LYS  31           HZ1      LYS  31  11.521   0.366  -8.241
  257    HZ2  LYS  31           HZ2      LYS  31  12.373   1.597  -9.024
  258    HZ3  LYS  31           HZ3      LYS  31  10.996   1.968  -8.118
  259    HN1  NH2  32           HN1      NH2  32  14.186   6.933  -4.666
  260    HN2  NH2  32           HN2      NH2  32  15.446   8.112  -4.516
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1 -13.655   4.365  -2.468
    2    H2   ARG   1           HT2      ARG   1 -13.694   5.246  -3.910
    3    H3   ARG   1           HT3      ARG   1 -12.301   5.255  -2.954
    4    HA   ARG   1           HA       ARG   1 -13.423   2.914  -4.366
    5    HB2  ARG   1           HB2      ARG   1 -12.328   4.599  -5.836
    6    HB3  ARG   1           HB1      ARG   1 -10.872   4.464  -4.860
    7    HG2  ARG   1           HG2      ARG   1 -10.785   2.042  -5.458
    8    HG3  ARG   1           HG1      ARG   1 -12.121   2.330  -6.573
    9    HD2  ARG   1           HD2      ARG   1  -9.388   3.607  -6.664
   10    HD3  ARG   1           HD1      ARG   1 -10.019   2.391  -7.774
   11    HE   ARG   1           HE       ARG   1 -11.797   4.450  -7.956
   12   HH11  ARG   1          HH11      ARG   1  -8.223   5.429  -9.526
   13   HH12  ARG   1          HH12      ARG   1  -8.335   4.137  -8.370
   14   HH21  ARG   1          HH21      ARG   1 -10.120   6.563 -10.167
   15   HH22  ARG   1          HH22      ARG   1 -11.663   6.136  -9.496
   16    HA   PRO   2           HA       PRO   2 -10.999   0.757  -1.252
   17    HB2  PRO   2           HB2      PRO   2 -11.496  -1.634  -2.856
   18    HB3  PRO   2           HB1      PRO   2 -12.013  -1.272  -1.203
   19    HG2  PRO   2           HG2      PRO   2 -13.748  -1.378  -3.281
   20    HG3  PRO   2           HG1      PRO   2 -13.983  -0.300  -1.898
   21    HD2  PRO   2           HD2      PRO   2 -12.932   0.332  -4.632
   22    HD3  PRO   2           HD1      PRO   2 -14.037   1.268  -3.599
   23    H    PHE   3           HN       PHE   3  -8.891   1.209  -1.530
   24    HA   PHE   3           HA       PHE   3  -7.490   0.298  -3.931
   25    HB2  PHE   3           HB2      PHE   3  -6.538   1.920  -1.557
   26    HB3  PHE   3           HB1      PHE   3  -5.542   1.499  -2.938
   27    HD1  PHE   3           HD1      PHE   3  -6.024   2.457  -5.153
   28    HD2  PHE   3           HD2      PHE   3  -8.131   3.688  -1.669
   29    HE1  PHE   3           HE1      PHE   3  -6.804   4.464  -6.338
   30    HE2  PHE   3           HE2      PHE   3  -8.918   5.695  -2.849
   31    HZ   PHE   3           HZ       PHE   3  -8.255   6.084  -5.188
   32    H    NLE   4           HN       NLE   4  -5.874  -1.288  -3.877
   33    HA   NLE   4           HA       NLE   4  -5.541  -2.680  -1.321
   34    HB2  NLE   4           HB1      NLE   4  -6.300  -4.039  -3.913
   35    HB3  NLE   4           HB2      NLE   4  -7.379  -3.776  -2.551
   36    HG2  NLE   4           HG1      NLE   4  -5.888  -5.189  -1.159
   37    HG3  NLE   4           HG2      NLE   4  -4.928  -5.525  -2.602
   38    HD2  NLE   4           HD1      NLE   4  -6.880  -6.519  -3.686
   39    HD3  NLE   4           HD2      NLE   4  -7.858  -6.169  -2.252
   40    HE1  NLE   4           HE1      NLE   4  -5.430  -7.956  -2.344
   41    HE2  NLE   4           HE2      NLE   4  -7.108  -8.493  -2.256
   42    HE3  NLE   4           HE3      NLE   4  -6.397  -7.601  -0.912
   43    H    CYS   5           HN       CYS   5  -3.524  -3.133  -0.918
   44    HA   CYS   5           HA       CYS   5  -1.483  -2.839  -2.919
   45    HB2  CYS   5           HB2      CYS   5  -0.956  -2.110  -0.689
   46    HB3  CYS   5           HB1      CYS   5  -1.390  -3.677  -0.020
   47    H    THR   6           HN       THR   6  -1.388  -4.381  -4.407
   48    HA   THR   6           HA       THR   6  -1.970  -7.143  -3.712
   49    HB   THR   6           HB       THR   6  -1.672  -7.455  -6.235
   50    HG1  THR   6           HG1      THR   6  -0.694  -5.690  -7.008
   51   HG21  THR   6          HG21      THR   6  -3.823  -5.593  -5.222
   52   HG22  THR   6          HG22      THR   6  -3.867  -7.356  -5.176
   53   HG23  THR   6          HG23      THR   6  -3.892  -6.511  -6.724
   54    H    TRP   7           HN       TRP   7   0.570  -5.599  -3.016
   55    HA   TRP   7           HA       TRP   7   2.695  -6.766  -4.479
   56    HB2  TRP   7           HB2      TRP   7   2.754  -4.677  -3.005
   57    HB3  TRP   7           HB1      TRP   7   2.841  -5.774  -1.634
   58    HD1  TRP   7           HD1      TRP   7   4.911  -4.369  -4.475
   59    HE1  TRP   7           HE1      TRP   7   7.374  -5.034  -4.143
   60    HE3  TRP   7           HE3      TRP   7   4.338  -7.651  -0.609
   61    HZ2  TRP   7           HZ2      TRP   7   8.873  -6.725  -2.453
   62    HZ3  TRP   7           HZ3      TRP   7   6.339  -8.748   0.308
   63    HH2  TRP   7           HH2      TRP   7   8.555  -8.295  -0.595
   64    H    NVA   8           HN       NVX   8   2.922  -8.919  -4.560
   65    HA   NVA   8           HA       NVX   8   3.098 -11.096  -3.958
   66    HB2  NVA   8           HB1      NVX   8   4.261  -9.624  -1.622
   67    HB3  NVA   8           HB2      NVX   8   5.087 -10.534  -2.878
   68    HG2  NVA   8           HG1      NVX   8   5.191 -11.681  -0.746
   69    HG3  NVA   8           HG2      NVX   8   4.251 -12.615  -1.921
   70    HD1  NVA   8           HD       NVX   8   3.232 -10.891   0.308
   71    HA   CYS   9           HA       CYX   9  -0.203 -11.976  -0.974
   72    HB2  CYS   9           HB2      CYX   9   0.605 -13.235   1.297
   73    HB3  CYS   9           HB1      CYX   9   0.705 -13.982  -0.306
   74    H    CYS  10           HN       CYS  10   1.125  -9.330  -0.330
   75    HA   CYS  10           HA       CYS  10   0.763  -8.771   2.409
   76    HB2  CYS  10           HB2      CYS  10   2.110  -7.358   0.936
   77    HB3  CYS  10           HB1      CYS  10   0.673  -6.916   0.027
   78    H    GLY  11           HN       GLY  11  -1.297  -7.701  -0.315
   79    HA2  GLY  11           HA2      GLY  11  -3.556  -7.359  -0.445
   80    HA3  GLY  11           HA1      GLY  11  -3.694  -8.686   0.693
   81    H    LYS  12           HN       LYS  12  -2.584  -5.312   0.832
   82    HA   LYS  12           HA       LYS  12  -4.204  -4.964   3.263
   83    HB2  LYS  12           HB2      LYS  12  -1.763  -4.532   3.483
   84    HB3  LYS  12           HB1      LYS  12  -1.891  -3.290   2.248
   85    HG2  LYS  12           HG2      LYS  12  -1.832  -2.197   4.338
   86    HG3  LYS  12           HG1      LYS  12  -3.494  -2.090   3.744
   87    HD2  LYS  12           HD2      LYS  12  -4.135  -3.943   5.205
   88    HD3  LYS  12           HD1      LYS  12  -2.469  -4.072   5.776
   89    HE2  LYS  12           HE2      LYS  12  -2.587  -1.813   6.681
   90    HE3  LYS  12           HE1      LYS  12  -4.236  -1.644   6.077
   91    HZ1  LYS  12           HZ1      LYS  12  -3.338  -3.609   8.113
   92    HZ2  LYS  12           HZ2      LYS  12  -4.920  -3.429   7.542
   93    HZ3  LYS  12           HZ3      LYS  12  -4.197  -2.184   8.426
   94    H    ARG  13           HN       ARG  13  -5.819  -3.424   3.303
   95    HA   ARG  13           HA       ARG  13  -6.359  -2.183   0.690
   96    HB2  ARG  13           HB2      ARG  13  -8.247  -3.200   2.807
   97    HB3  ARG  13           HB1      ARG  13  -8.770  -2.220   1.444
   98    HG2  ARG  13           HG2      ARG  13  -8.041  -3.900  -0.111
   99    HG3  ARG  13           HG1      ARG  13  -7.342  -4.852   1.200
  100    HD2  ARG  13           HD2      ARG  13 -10.266  -4.178   0.914
  101    HD3  ARG  13           HD1      ARG  13  -9.533  -5.713   0.450
  102    HE   ARG  13           HE       ARG  13  -8.809  -5.653   2.964
  103   HH11  ARG  13          HH11      ARG  13 -11.889  -4.733   1.589
  104   HH12  ARG  13          HH12      ARG  13 -12.791  -5.153   3.011
  105   HH21  ARG  13          HH21      ARG  13  -9.994  -6.206   4.838
  106   HH22  ARG  13          HH22      ARG  13 -11.714  -5.994   4.858
  107    H    PHE  14           HN       PHE  14  -7.119  -0.117   0.543
  108    HA   PHE  14           HA       PHE  14  -7.099   1.545   2.967
  109    HB2  PHE  14           HB2      PHE  14  -5.692   2.309   0.397
  110    HB3  PHE  14           HB1      PHE  14  -5.684   3.198   1.914
  111    HD1  PHE  14           HD1      PHE  14  -4.213   0.529   0.007
  112    HD2  PHE  14           HD2      PHE  14  -4.484   2.297   3.863
  113    HE1  PHE  14           HE1      PHE  14  -2.170  -0.650   0.687
  114    HE2  PHE  14           HE2      PHE  14  -2.442   1.116   4.551
  115    HZ   PHE  14           HZ       PHE  14  -1.328  -0.416   2.980
  116    H    THR  15           HN       THR  15  -8.092   3.669   2.586
  117    HA   THR  15           HA       THR  15 -10.170   3.540   0.515
  118    HB   THR  15           HB       THR  15 -11.247   5.371   1.880
  119    HG1  THR  15           HG1      THR  15 -10.070   6.204   3.412
  120   HG21  THR  15          HG21      THR  15 -10.726   2.750   3.295
  121   HG22  THR  15          HG22      THR  15 -11.986   3.051   2.097
  122   HG23  THR  15          HG23      THR  15 -12.042   3.867   3.659
  123    H    ARG  16           HN       ARG  16  -7.229   4.942   1.223
  124    HA   ARG  16           HA       ARG  16  -7.784   7.260  -0.502
  125    HB2  ARG  16           HB2      ARG  16  -5.806   7.170   1.788
  126    HB3  ARG  16           HB1      ARG  16  -6.206   8.569   0.806
  127    HG2  ARG  16           HG2      ARG  16  -8.534   8.431   1.672
  128    HG3  ARG  16           HG1      ARG  16  -8.002   7.146   2.756
  129    HD2  ARG  16           HD2      ARG  16  -6.932   9.967   2.695
  130    HD3  ARG  16           HD1      ARG  16  -8.058   9.320   3.883
  131    HE   ARG  16           HE       ARG  16  -5.884   7.663   4.014
  132   HH11  ARG  16          HH11      ARG  16  -5.120  11.332   5.464
  133   HH12  ARG  16          HH12      ARG  16  -6.443  11.093   4.368
  134   HH21  ARG  16          HH21      ARG  16  -3.810   9.568   6.097
  135   HH22  ARG  16          HH22      ARG  16  -4.123   7.968   5.487
  136    H    SER  17           HN       SER  17  -6.444   7.590  -2.172
  137    HA   SER  17           HA       SER  17  -4.838   5.440  -3.059
  138    HB2  SER  17           HB2      SER  17  -4.223   7.122  -4.895
  139    HB3  SER  17           HB1      SER  17  -5.929   6.709  -4.725
  140    HG   SER  17           HG       SER  17  -5.813   8.912  -4.865
  141    H    ASP  18           HN       ASP  18  -4.039   8.624  -1.733
  142    HA   ASP  18           HA       ASP  18  -1.238   8.421  -2.043
  143    HB2  ASP  18           HB2      ASP  18  -2.886  10.005  -0.064
  144    HB3  ASP  18           HB1      ASP  18  -1.140  10.147  -0.210
  145    H    GLU  19           HN       GLU  19  -3.452   7.057   0.206
  146    HA   GLU  19           HA       GLU  19  -1.570   6.477   2.273
  147    HB2  GLU  19           HB2      GLU  19  -4.104   6.603   2.521
  148    HB3  GLU  19           HB1      GLU  19  -4.165   5.027   1.748
  149    HG2  GLU  19           HG2      GLU  19  -4.269   4.650   4.066
  150    HG3  GLU  19           HG1      GLU  19  -2.644   4.196   3.553
  151    H    LEU  20           HN       LEU  20  -3.017   4.675  -0.406
  152    HA   LEU  20           HA       LEU  20  -1.689   2.241  -0.035
  153    HB2  LEU  20           HB2      LEU  20  -3.493   2.358  -1.587
  154    HB3  LEU  20           HB1      LEU  20  -2.699   3.615  -2.520
  155    HG   LEU  20           HG       LEU  20  -0.958   1.972  -3.189
  156   HD11  LEU  20          HD11      LEU  20  -2.748  -0.011  -1.797
  157   HD12  LEU  20          HD12      LEU  20  -1.117   0.456  -1.303
  158   HD13  LEU  20          HD13      LEU  20  -1.367  -0.408  -2.820
  159   HD21  LEU  20          HD21      LEU  20  -3.775   1.118  -3.831
  160   HD22  LEU  20          HD22      LEU  20  -2.334   0.759  -4.777
  161   HD23  LEU  20          HD23      LEU  20  -2.895   2.423  -4.624
  162    H    GLN  21           HN       GLN  21  -0.740   5.101  -1.914
  163    HA   GLN  21           HA       GLN  21   1.686   4.070  -2.885
  164    HB2  GLN  21           HB2      GLN  21   1.022   6.952  -2.244
  165    HB3  GLN  21           HB1      GLN  21   2.326   6.402  -3.286
  166    HG2  GLN  21           HG2      GLN  21  -0.624   6.093  -3.777
  167    HG3  GLN  21           HG1      GLN  21   0.480   7.180  -4.616
  168   HE21  GLN  21          HE21      GLN  21  -1.233   5.113  -5.687
  169   HE22  GLN  21          HE22      GLN  21  -0.202   3.996  -6.520
  170    H    ARG  22           HN       ARG  22   0.973   6.005  -0.004
  171    HA   ARG  22           HA       ARG  22   3.534   6.220   1.058
  172    HB2  ARG  22           HB2      ARG  22   1.621   7.457   1.930
  173    HB3  ARG  22           HB1      ARG  22   0.872   5.965   2.465
  174    HG2  ARG  22           HG2      ARG  22   2.660   5.632   4.085
  175    HG3  ARG  22           HG1      ARG  22   3.432   7.124   3.537
  176    HD2  ARG  22           HD2      ARG  22   0.643   6.961   4.679
  177    HD3  ARG  22           HD1      ARG  22   2.075   7.407   5.608
  178    HE   ARG  22           HE       ARG  22   2.299   9.318   4.042
  179   HH11  ARG  22          HH11      ARG  22  -1.719   9.248   4.002
  180   HH12  ARG  22          HH12      ARG  22  -0.854   7.801   4.436
  181   HH21  ARG  22          HH21      ARG  22   1.143  11.190   3.477
  182   HH22  ARG  22          HH22      ARG  22  -0.594  11.161   3.460
  183    H    HIS  23           HN       HIS  23   1.077   3.724   1.595
  184    HA   HIS  23           HA       HIS  23   2.555   2.156   3.382
  185    HB2  HIS  23           HB2      HIS  23   0.255   1.692   3.314
  186    HB3  HIS  23           HB1      HIS  23   0.235   1.587   1.558
  187    HD1  HIS  23           HD1      HIS  23   0.792  -0.512   4.625
  188    HD2  HIS  23           HD2      HIS  23   1.128  -0.821   0.480
  189    HE1  HIS  23           HE1      HIS  23   1.242  -2.975   4.102
  190    H    LYS  24           HN       LYS  24   2.226   1.925  -0.155
  191    HA   LYS  24           HA       LYS  24   3.625  -0.487  -0.400
  192    HB2  LYS  24           HB2      LYS  24   2.179   0.447  -2.167
  193    HB3  LYS  24           HB1      LYS  24   3.376   1.701  -2.465
  194    HG2  LYS  24           HG2      LYS  24   4.926   0.173  -3.325
  195    HG3  LYS  24           HG1      LYS  24   4.050  -1.211  -2.673
  196    HD2  LYS  24           HD2      LYS  24   3.755  -1.010  -5.092
  197    HD3  LYS  24           HD1      LYS  24   2.229  -0.819  -4.231
  198    HE2  LYS  24           HE2      LYS  24   2.304   1.566  -4.515
  199    HE3  LYS  24           HE1      LYS  24   3.927   1.479  -5.198
  200    HZ1  LYS  24           HZ1      LYS  24   2.271   1.733  -6.925
  201    HZ2  LYS  24           HZ2      LYS  24   1.470   0.342  -6.408
  202    HZ3  LYS  24           HZ3      LYS  24   3.025   0.226  -7.063
  203    H    ARG  25           HN       ARG  25   4.798   2.715   0.128
  204    HA   ARG  25           HA       ARG  25   7.415   2.310  -0.891
  205    HB2  ARG  25           HB2      ARG  25   6.464   4.220   1.237
  206    HB3  ARG  25           HB1      ARG  25   8.057   4.255   0.495
  207    HG2  ARG  25           HG2      ARG  25   6.917   4.566  -1.715
  208    HG3  ARG  25           HG1      ARG  25   5.408   4.773  -0.827
  209    HD2  ARG  25           HD2      ARG  25   6.331   6.937  -1.297
  210    HD3  ARG  25           HD1      ARG  25   6.465   6.626   0.432
  211    HE   ARG  25           HE       ARG  25   8.742   6.206  -1.387
  212   HH11  ARG  25          HH11      ARG  25   7.352   7.717   1.458
  213   HH12  ARG  25          HH12      ARG  25   8.868   8.350   2.013
  214   HH21  ARG  25          HH21      ARG  25  10.785   7.975   0.803
  215   HH22  ARG  25          HH22      ARG  25  10.720   7.048  -0.664
  216    H    THR  26           HN       THR  26   5.865   0.977   1.810
  217    HA   THR  26           HA       THR  26   8.234   0.596   3.391
  218    HB   THR  26           HB       THR  26   6.912  -1.007   4.700
  219    HG1  THR  26           HG1      THR  26   4.776  -0.467   2.885
  220   HG21  THR  26          HG21      THR  26   5.378   1.514   4.059
  221   HG22  THR  26          HG22      THR  26   6.708   1.380   5.208
  222   HG23  THR  26          HG23      THR  26   5.192   0.534   5.514
  223    H    HIS  27           HN       HIS  27   6.718  -0.996   0.718
  224    HA   HIS  27           HA       HIS  27   8.437  -3.342   0.950
  225    HB2  HIS  27           HB2      HIS  27   6.586  -2.592  -1.323
  226    HB3  HIS  27           HB1      HIS  27   7.350  -4.151  -1.064
  227    HD1  HIS  27           HD1      HIS  27   6.482  -5.221   1.497
  228    HD2  HIS  27           HD2      HIS  27   4.051  -2.622  -0.675
  229    HE1  HIS  27           HE1      HIS  27   4.090  -5.618   2.293
  230    H    THR  28           HN       THR  28   7.739  -0.854  -1.467
  231    HA   THR  28           HA       THR  28  10.497  -1.118  -2.449
  232    HB   THR  28           HB       THR  28   9.490  -0.434  -4.694
  233    HG1  THR  28           HG1      THR  28   7.414   0.165  -3.746
  234   HG21  THR  28          HG21      THR  28  10.274  -2.699  -4.309
  235   HG22  THR  28          HG22      THR  28   8.760  -2.750  -5.212
  236   HG23  THR  28          HG23      THR  28   8.769  -3.109  -3.483
  237    H    GLY  29           HN       GLY  29  10.739   0.648  -0.762
  238    HA2  GLY  29           HA2      GLY  29   9.832   3.273  -1.531
  239    HA3  GLY  29           HA1      GLY  29  11.012   2.903  -0.279
  240    H    GLU  30           HN       GLU  30  12.722   1.345  -1.893
  241    HA   GLU  30           HA       GLU  30  14.507   1.465  -3.283
  242    HB2  GLU  30           HB2      GLU  30  12.699   3.232  -4.939
  243    HB3  GLU  30           HB1      GLU  30  14.111   2.357  -5.515
  244    HG2  GLU  30           HG2      GLU  30  11.517   1.187  -4.530
  245    HG3  GLU  30           HG1      GLU  30  12.142   1.173  -6.177
  246    H    LYS  31           HN       LYS  31  14.279   3.496  -1.177
  247    HA   LYS  31           HA       LYS  31  16.178   5.412  -2.330
  248    HB2  LYS  31           HB2      LYS  31  13.881   6.023  -0.474
  249    HB3  LYS  31           HB1      LYS  31  15.248   7.105  -0.666
  250    HG2  LYS  31           HG2      LYS  31  14.735   7.251  -3.082
  251    HG3  LYS  31           HG1      LYS  31  13.299   6.266  -2.801
  252    HD2  LYS  31           HD2      LYS  31  12.388   7.942  -1.318
  253    HD3  LYS  31           HD1      LYS  31  13.867   8.897  -1.438
  254    HE2  LYS  31           HE2      LYS  31  13.448   9.224  -3.837
  255    HE3  LYS  31           HE1      LYS  31  11.960   8.287  -3.699
  256    HZ1  LYS  31           HZ1      LYS  31  11.573  10.693  -3.637
  257    HZ2  LYS  31           HZ2      LYS  31  12.516  10.815  -2.240
  258    HZ3  LYS  31           HZ3      LYS  31  11.068   9.941  -2.210
  259    HN1  NH2  32           HN1      NH2  32  14.894   5.035   0.935
  260    HN2  NH2  32           HN2      NH2  32  16.401   4.601   1.674
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1 -13.827   3.215  -1.857
    2    H2   ARG   1           HT2      ARG   1 -14.136   4.300  -3.111
    3    H3   ARG   1           HT3      ARG   1 -12.727   4.451  -2.191
    4    HA   ARG   1           HA       ARG   1 -13.401   2.225  -4.012
    5    HB2  ARG   1           HB2      ARG   1 -11.278   4.376  -4.182
    6    HB3  ARG   1           HB1      ARG   1 -11.429   3.022  -5.290
    7    HG2  ARG   1           HG2      ARG   1 -13.632   3.843  -5.978
    8    HG3  ARG   1           HG1      ARG   1 -13.447   5.219  -4.889
    9    HD2  ARG   1           HD2      ARG   1 -11.435   5.907  -6.135
   10    HD3  ARG   1           HD1      ARG   1 -11.676   4.553  -7.239
   11    HE   ARG   1           HE       ARG   1 -13.981   6.229  -7.071
   12   HH11  ARG   1          HH11      ARG   1 -11.249   6.902  -9.935
   13   HH12  ARG   1          HH12      ARG   1 -10.824   5.936  -8.557
   14   HH21  ARG   1          HH21      ARG   1 -13.353   7.770 -10.135
   15   HH22  ARG   1          HH22      ARG   1 -14.547   7.471  -8.909
   16    HA   PRO   2           HA       PRO   2 -10.617   0.093  -1.281
   17    HB2  PRO   2           HB2      PRO   2 -10.622  -2.302  -2.511
   18    HB3  PRO   2           HB1      PRO   2 -12.009  -1.714  -1.580
   19    HG2  PRO   2           HG2      PRO   2 -11.601  -1.811  -4.530
   20    HG3  PRO   2           HG1      PRO   2 -13.078  -2.073  -3.594
   21    HD2  PRO   2           HD2      PRO   2 -12.420   0.273  -4.921
   22    HD3  PRO   2           HD1      PRO   2 -13.601   0.145  -3.600
   23    H    PHE   3           HN       PHE   3  -8.698   1.196  -1.675
   24    HA   PHE   3           HA       PHE   3  -7.059   0.480  -3.958
   25    HB2  PHE   3           HB2      PHE   3  -6.457   2.168  -1.521
   26    HB3  PHE   3           HB1      PHE   3  -5.378   1.964  -2.892
   27    HD1  PHE   3           HD1      PHE   3  -6.242   2.691  -5.192
   28    HD2  PHE   3           HD2      PHE   3  -8.063   3.829  -1.523
   29    HE1  PHE   3           HE1      PHE   3  -7.330   4.583  -6.326
   30    HE2  PHE   3           HE2      PHE   3  -9.159   5.719  -2.648
   31    HZ   PHE   3           HZ       PHE   3  -8.807   6.065  -5.102
   32    H    NLE   4           HN       NLE   4  -6.302  -1.548  -3.918
   33    HA   NLE   4           HA       NLE   4  -5.529  -2.669  -1.318
   34    HB2  NLE   4           HB1      NLE   4  -6.296  -4.106  -3.865
   35    HB3  NLE   4           HB2      NLE   4  -7.367  -3.816  -2.502
   36    HG2  NLE   4           HG1      NLE   4  -5.865  -5.175  -1.082
   37    HG3  NLE   4           HG2      NLE   4  -4.889  -5.528  -2.511
   38    HD2  NLE   4           HD1      NLE   4  -6.805  -6.595  -3.579
   39    HD3  NLE   4           HD2      NLE   4  -7.814  -6.206  -2.178
   40    HE1  NLE   4           HE1      NLE   4  -7.039  -8.517  -2.084
   41    HE2  NLE   4           HE2      NLE   4  -6.363  -7.570  -0.759
   42    HE3  NLE   4           HE3      NLE   4  -5.367  -7.966  -2.160
   43    H    CYS   5           HN       CYS   5  -3.519  -3.189  -0.925
   44    HA   CYS   5           HA       CYS   5  -1.484  -2.932  -2.948
   45    HB2  CYS   5           HB2      CYS   5  -1.000  -2.152  -0.695
   46    HB3  CYS   5           HB1      CYS   5  -1.338  -3.749  -0.041
   47    H    THR   6           HN       THR   6  -1.388  -4.523  -4.390
   48    HA   THR   6           HA       THR   6  -1.964  -7.267  -3.610
   49    HB   THR   6           HB       THR   6  -1.722  -7.648  -6.124
   50    HG1  THR   6           HG1      THR   6  -2.210  -5.269  -7.017
   51   HG21  THR   6          HG21      THR   6  -3.912  -7.466  -5.064
   52   HG22  THR   6          HG22      THR   6  -3.922  -6.648  -6.627
   53   HG23  THR   6          HG23      THR   6  -3.820  -5.707  -5.140
   54    H    TRP   7           HN       TRP   7   0.600  -5.720  -2.991
   55    HA   TRP   7           HA       TRP   7   2.694  -6.913  -4.477
   56    HB2  TRP   7           HB2      TRP   7   2.811  -4.814  -3.027
   57    HB3  TRP   7           HB1      TRP   7   2.898  -5.895  -1.645
   58    HD1  TRP   7           HD1      TRP   7   4.944  -4.604  -4.564
   59    HE1  TRP   7           HE1      TRP   7   7.402  -5.296  -4.248
   60    HE3  TRP   7           HE3      TRP   7   4.387  -7.741  -0.573
   61    HZ2  TRP   7           HZ2      TRP   7   8.903  -6.951  -2.520
   62    HZ3  TRP   7           HZ3      TRP   7   6.385  -8.836   0.352
   63    HH2  TRP   7           HH2      TRP   7   8.593  -8.450  -0.602
   64    H    NVA   8           HN       NVX   8   2.869  -9.081  -4.552
   65    HA   NVA   8           HA       NVX   8   3.010 -11.254  -3.935
   66    HB2  NVA   8           HB1      NVX   8   4.311  -9.799  -1.661
   67    HB3  NVA   8           HB2      NVX   8   5.060 -10.728  -2.951
   68    HG2  NVA   8           HG1      NVX   8   5.229 -11.887  -0.830
   69    HG3  NVA   8           HG2      NVX   8   4.200 -12.789  -1.953
   70    HD1  NVA   8           HD       NVX   8   3.355 -11.027   0.316
   71    HA   CYS   9           HA       CYX   9  -0.172 -12.018  -0.806
   72    HB2  CYS   9           HB2      CYX   9   0.712 -13.240   1.471
   73    HB3  CYS   9           HB1      CYX   9   0.686 -14.036  -0.111
   74    H    CYS  10           HN       CYS  10   1.012  -9.358  -0.387
   75    HA   CYS  10           HA       CYS  10   0.798  -8.707   2.375
   76    HB2  CYS  10           HB2      CYS  10   2.065  -7.353   0.729
   77    HB3  CYS  10           HB1      CYS  10   0.550  -6.893  -0.030
   78    H    GLY  11           HN       GLY  11  -1.331  -7.624  -0.297
   79    HA2  GLY  11           HA2      GLY  11  -3.603  -7.389  -0.413
   80    HA3  GLY  11           HA1      GLY  11  -3.686  -8.722   0.724
   81    H    LYS  12           HN       LYS  12  -2.980  -5.237   0.672
   82    HA   LYS  12           HA       LYS  12  -4.578  -4.988   3.131
   83    HB2  LYS  12           HB2      LYS  12  -2.069  -4.720   3.436
   84    HB3  LYS  12           HB1      LYS  12  -2.186  -3.279   2.437
   85    HG2  LYS  12           HG2      LYS  12  -3.531  -2.169   4.039
   86    HG3  LYS  12           HG1      LYS  12  -3.754  -3.656   4.973
   87    HD2  LYS  12           HD2      LYS  12  -1.360  -3.707   5.460
   88    HD3  LYS  12           HD1      LYS  12  -1.133  -2.219   4.542
   89    HE2  LYS  12           HE2      LYS  12  -2.591  -1.033   6.113
   90    HE3  LYS  12           HE1      LYS  12  -2.831  -2.526   7.019
   91    HZ1  LYS  12           HZ1      LYS  12  -0.245  -1.112   6.648
   92    HZ2  LYS  12           HZ2      LYS  12  -0.450  -2.570   7.479
   93    HZ3  LYS  12           HZ3      LYS  12  -1.164  -1.156   8.066
   94    H    ARG  13           HN       ARG  13  -6.161  -3.471   3.058
   95    HA   ARG  13           HA       ARG  13  -6.423  -2.052   0.496
   96    HB2  ARG  13           HB2      ARG  13  -8.558  -2.939   2.440
   97    HB3  ARG  13           HB1      ARG  13  -8.857  -2.056   0.951
   98    HG2  ARG  13           HG2      ARG  13  -8.012  -3.906  -0.353
   99    HG3  ARG  13           HG1      ARG  13  -7.605  -4.784   1.123
  100    HD2  ARG  13           HD2      ARG  13  -9.973  -4.810   1.749
  101    HD3  ARG  13           HD1      ARG  13 -10.374  -3.940   0.271
  102    HE   ARG  13           HE       ARG  13  -9.635  -5.905  -0.970
  103   HH11  ARG  13          HH11      ARG  13 -10.227  -6.326   2.456
  104   HH12  ARG  13          HH12      ARG  13 -10.573  -8.019   2.320
  105   HH21  ARG  13          HH21      ARG  13 -10.088  -8.140  -1.149
  106   HH22  ARG  13          HH22      ARG  13 -10.500  -9.049   0.268
  107    H    PHE  14           HN       PHE  14  -6.914   0.073   0.405
  108    HA   PHE  14           HA       PHE  14  -7.156   1.568   2.933
  109    HB2  PHE  14           HB2      PHE  14  -5.559   2.449   0.516
  110    HB3  PHE  14           HB1      PHE  14  -5.686   3.292   2.054
  111    HD1  PHE  14           HD1      PHE  14  -4.126   0.567   0.239
  112    HD2  PHE  14           HD2      PHE  14  -4.548   2.452   4.027
  113    HE1  PHE  14           HE1      PHE  14  -2.151  -0.650   1.058
  114    HE2  PHE  14           HE2      PHE  14  -2.576   1.241   4.854
  115    HZ   PHE  14           HZ       PHE  14  -1.378  -0.310   3.367
  116    H    THR  15           HN       THR  15  -8.243   3.638   2.696
  117    HA   THR  15           HA       THR  15 -10.183   3.619   0.504
  118    HB   THR  15           HB       THR  15 -11.169   3.832   2.706
  119    HG1  THR  15           HG1      THR  15 -11.276   6.009   0.941
  120   HG21  THR  15          HG21      THR  15 -10.722   5.770   4.153
  121   HG22  THR  15          HG22      THR  15  -9.471   6.306   3.035
  122   HG23  THR  15          HG23      THR  15  -9.275   4.792   3.912
  123    H    ARG  16           HN       ARG  16  -7.229   4.941   1.169
  124    HA   ARG  16           HA       ARG  16  -7.707   7.170  -0.688
  125    HB2  ARG  16           HB2      ARG  16  -5.926   7.188   1.761
  126    HB3  ARG  16           HB1      ARG  16  -5.970   8.460   0.553
  127    HG2  ARG  16           HG2      ARG  16  -8.291   8.922   1.095
  128    HG3  ARG  16           HG1      ARG  16  -8.282   7.611   2.274
  129    HD2  ARG  16           HD2      ARG  16  -6.617  10.123   2.369
  130    HD3  ARG  16           HD1      ARG  16  -7.996   9.744   3.393
  131    HE   ARG  16           HE       ARG  16  -5.343   8.497   3.509
  132   HH11  ARG  16          HH11      ARG  16  -8.136   8.210   6.381
  133   HH12  ARG  16          HH12      ARG  16  -8.533   8.965   4.873
  134   HH21  ARG  16          HH21      ARG  16  -6.018   7.400   6.746
  135   HH22  ARG  16          HH22      ARG  16  -4.799   7.535   5.507
  136    H    SER  17           HN       SER  17  -6.285   7.354  -2.329
  137    HA   SER  17           HA       SER  17  -4.586   5.139  -2.886
  138    HB2  SER  17           HB2      SER  17  -3.976   6.560  -4.914
  139    HB3  SER  17           HB1      SER  17  -5.680   6.141  -4.742
  140    HG   SER  17           HG       SER  17  -4.830   8.492  -5.126
  141    H    ASP  18           HN       ASP  18  -4.100   8.399  -1.709
  142    HA   ASP  18           HA       ASP  18  -1.288   8.482  -1.902
  143    HB2  ASP  18           HB2      ASP  18  -3.067   9.817   0.154
  144    HB3  ASP  18           HB1      ASP  18  -1.388  10.225  -0.165
  145    H    GLU  19           HN       GLU  19  -3.479   7.086   0.416
  146    HA   GLU  19           HA       GLU  19  -1.535   6.525   2.421
  147    HB2  GLU  19           HB2      GLU  19  -4.087   6.681   2.687
  148    HB3  GLU  19           HB1      GLU  19  -4.134   5.054   2.028
  149    HG2  GLU  19           HG2      GLU  19  -4.220   4.922   4.407
  150    HG3  GLU  19           HG1      GLU  19  -2.656   4.315   3.865
  151    H    LEU  20           HN       LEU  20  -3.015   4.719  -0.234
  152    HA   LEU  20           HA       LEU  20  -1.691   2.277   0.169
  153    HB2  LEU  20           HB2      LEU  20  -3.518   2.362  -1.360
  154    HB3  LEU  20           HB1      LEU  20  -2.732   3.590  -2.335
  155    HG   LEU  20           HG       LEU  20  -1.003   1.935  -2.988
  156   HD11  LEU  20          HD11      LEU  20  -1.129   0.476  -1.045
  157   HD12  LEU  20          HD12      LEU  20  -1.378  -0.434  -2.536
  158   HD13  LEU  20          HD13      LEU  20  -2.756  -0.025  -1.516
  159   HD21  LEU  20          HD21      LEU  20  -2.360   0.715  -4.543
  160   HD22  LEU  20          HD22      LEU  20  -3.035   2.334  -4.360
  161   HD23  LEU  20          HD23      LEU  20  -3.795   0.962  -3.555
  162    H    GLN  21           HN       GLN  21  -0.775   5.084  -1.819
  163    HA   GLN  21           HA       GLN  21   1.645   4.035  -2.781
  164    HB2  GLN  21           HB2      GLN  21   0.521   6.059  -3.672
  165    HB3  GLN  21           HB1      GLN  21   0.977   6.929  -2.214
  166    HG2  GLN  21           HG2      GLN  21   2.466   7.457  -4.052
  167    HG3  GLN  21           HG1      GLN  21   3.330   6.632  -2.756
  168   HE21  GLN  21          HE21      GLN  21   2.088   6.376  -5.994
  169   HE22  GLN  21          HE22      GLN  21   2.982   4.961  -6.437
  170    H    ARG  22           HN       ARG  22   0.930   6.004   0.065
  171    HA   ARG  22           HA       ARG  22   3.466   6.289   1.145
  172    HB2  ARG  22           HB2      ARG  22   1.439   7.389   2.012
  173    HB3  ARG  22           HB1      ARG  22   0.840   5.843   2.578
  174    HG2  ARG  22           HG2      ARG  22   2.768   5.696   4.113
  175    HG3  ARG  22           HG1      ARG  22   3.256   7.313   3.595
  176    HD2  ARG  22           HD2      ARG  22   1.079   8.185   4.332
  177    HD3  ARG  22           HD1      ARG  22   0.628   6.575   4.882
  178    HE   ARG  22           HE       ARG  22   3.042   7.722   6.032
  179   HH11  ARG  22          HH11      ARG  22  -0.389   7.277   8.079
  180   HH12  ARG  22          HH12      ARG  22  -0.369   7.000   6.362
  181   HH21  ARG  22          HH21      ARG  22   3.018   8.088   8.297
  182   HH22  ARG  22          HH22      ARG  22   1.533   7.890   9.177
  183    H    HIS  23           HN       HIS  23   1.078   3.730   1.763
  184    HA   HIS  23           HA       HIS  23   2.669   2.122   3.406
  185    HB2  HIS  23           HB2      HIS  23   0.364   1.629   3.404
  186    HB3  HIS  23           HB1      HIS  23   0.291   1.567   1.647
  187    HD1  HIS  23           HD1      HIS  23   1.140  -0.574   4.643
  188    HD2  HIS  23           HD2      HIS  23   1.092  -0.805   0.474
  189    HE1  HIS  23           HE1      HIS  23   1.578  -3.015   4.033
  190    H    LYS  24           HN       LYS  24   2.239   2.111  -0.102
  191    HA   LYS  24           HA       LYS  24   3.584  -0.237  -0.712
  192    HB2  LYS  24           HB2      LYS  24   2.234   1.176  -2.283
  193    HB3  LYS  24           HB1      LYS  24   3.596   2.281  -2.380
  194    HG2  LYS  24           HG2      LYS  24   3.625   0.864  -4.294
  195    HG3  LYS  24           HG1      LYS  24   4.976   0.415  -3.253
  196    HD2  LYS  24           HD2      LYS  24   3.718  -1.475  -2.397
  197    HD3  LYS  24           HD1      LYS  24   2.313  -1.000  -3.349
  198    HE2  LYS  24           HE2      LYS  24   4.994  -1.830  -4.459
  199    HE3  LYS  24           HE1      LYS  24   3.545  -2.833  -4.405
  200    HZ1  LYS  24           HZ1      LYS  24   2.438  -1.212  -5.831
  201    HZ2  LYS  24           HZ2      LYS  24   3.811  -1.853  -6.575
  202    HZ3  LYS  24           HZ3      LYS  24   3.858  -0.298  -5.917
  203    H    ARG  25           HN       ARG  25   4.849   2.901   0.143
  204    HA   ARG  25           HA       ARG  25   7.471   2.523  -0.840
  205    HB2  ARG  25           HB2      ARG  25   6.401   4.308   1.330
  206    HB3  ARG  25           HB1      ARG  25   8.081   4.327   0.816
  207    HG2  ARG  25           HG2      ARG  25   7.359   4.883  -1.468
  208    HG3  ARG  25           HG1      ARG  25   5.687   4.927  -0.907
  209    HD2  ARG  25           HD2      ARG  25   6.237   6.734   0.628
  210    HD3  ARG  25           HD1      ARG  25   7.923   6.663   0.128
  211    HE   ARG  25           HE       ARG  25   6.759   7.150  -2.200
  212   HH11  ARG  25          HH11      ARG  25   6.143   8.565   0.938
  213   HH12  ARG  25          HH12      ARG  25   5.671  10.105   0.297
  214   HH21  ARG  25          HH21      ARG  25   5.683  10.462  -1.971
  215   HH22  ARG  25          HH22      ARG  25   6.171   9.195  -3.051
  216    H    THR  26           HN       THR  26   5.905   0.980   1.726
  217    HA   THR  26           HA       THR  26   8.221   0.509   3.343
  218    HB   THR  26           HB       THR  26   6.901  -1.249   4.435
  219    HG1  THR  26           HG1      THR  26   4.741  -0.618   2.700
  220   HG21  THR  26          HG21      THR  26   6.557   1.056   5.166
  221   HG22  THR  26          HG22      THR  26   5.057   0.138   5.274
  222   HG23  THR  26          HG23      THR  26   5.303   1.268   3.944
  223    H    HIS  27           HN       HIS  27   6.711  -1.029   0.583
  224    HA   HIS  27           HA       HIS  27   8.491  -3.320   0.681
  225    HB2  HIS  27           HB2      HIS  27   6.609  -2.499  -1.541
  226    HB3  HIS  27           HB1      HIS  27   7.391  -4.059  -1.355
  227    HD1  HIS  27           HD1      HIS  27   6.569  -5.300   1.121
  228    HD2  HIS  27           HD2      HIS  27   4.097  -2.513  -0.755
  229    HE1  HIS  27           HE1      HIS  27   4.202  -5.719   1.983
  230    H    THR  28           HN       THR  28   8.037  -0.364  -1.163
  231    HA   THR  28           HA       THR  28  10.817  -0.273  -1.842
  232    HB   THR  28           HB       THR  28   9.996  -1.760  -3.626
  233    HG1  THR  28           HG1      THR  28  10.793  -0.472  -5.379
  234   HG21  THR  28          HG21      THR  28   7.683  -1.040  -3.778
  235   HG22  THR  28          HG22      THR  28   8.462  -0.881  -5.353
  236   HG23  THR  28          HG23      THR  28   8.190   0.547  -4.355
  237    H    GLY  29           HN       GLY  29  11.471   1.795  -2.158
  238    HA2  GLY  29           HA2      GLY  29   9.698   3.768  -1.130
  239    HA3  GLY  29           HA1      GLY  29  11.356   4.029  -1.634
  240    H    GLU  30           HN       GLU  30  11.009   3.166  -4.357
  241    HA   GLU  30           HA       GLU  30   8.912   4.736  -5.520
  242    HB2  GLU  30           HB2      GLU  30  10.586   6.475  -4.860
  243    HB3  GLU  30           HB1      GLU  30  11.767   5.680  -5.891
  244    HG2  GLU  30           HG2      GLU  30  10.740   7.649  -6.942
  245    HG3  GLU  30           HG1      GLU  30  10.467   6.163  -7.851
  246    H    LYS  31           HN       LYS  31   8.714   4.407  -7.754
  247    HA   LYS  31           HA       LYS  31  10.627   2.806  -9.187
  248    HB2  LYS  31           HB2      LYS  31   9.429   1.072  -7.889
  249    HB3  LYS  31           HB1      LYS  31   7.904   1.638  -8.553
  250    HG2  LYS  31           HG2      LYS  31   8.723   1.061 -10.817
  251    HG3  LYS  31           HG1      LYS  31  10.177   0.390 -10.079
  252    HD2  LYS  31           HD2      LYS  31   7.362  -0.531  -9.509
  253    HD3  LYS  31           HD1      LYS  31   8.479  -1.328 -10.619
  254    HE2  LYS  31           HE2      LYS  31  10.019  -1.761  -8.785
  255    HE3  LYS  31           HE1      LYS  31   8.955  -0.911  -7.666
  256    HZ1  LYS  31           HZ1      LYS  31   8.658  -3.290  -7.498
  257    HZ2  LYS  31           HZ2      LYS  31   8.292  -3.398  -9.145
  258    HZ3  LYS  31           HZ3      LYS  31   7.248  -2.574  -8.100
  259    HN1  NH2  32           HN1      NH2  32  10.637   4.366 -10.725
  260    HN2  NH2  32           HN2      NH2  32   9.271   4.787 -11.702
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1 -12.098   4.692  -3.521
    2    H2   ARG   1           HT2      ARG   1 -13.465   3.793  -3.097
    3    H3   ARG   1           HT3      ARG   1 -13.351   4.479  -4.636
    4    HA   ARG   1           HA       ARG   1 -12.929   2.121  -4.723
    5    HB2  ARG   1           HB2      ARG   1 -11.758   3.641  -6.297
    6    HB3  ARG   1           HB1      ARG   1 -10.425   3.763  -5.156
    7    HG2  ARG   1           HG2      ARG   1 -10.175   1.265  -5.351
    8    HG3  ARG   1           HG1      ARG   1 -11.323   1.339  -6.687
    9    HD2  ARG   1           HD2      ARG   1  -8.652   2.732  -6.532
   10    HD3  ARG   1           HD1      ARG   1  -9.052   1.338  -7.533
   11    HE   ARG   1           HE       ARG   1 -10.835   3.327  -8.240
   12   HH11  ARG   1          HH11      ARG   1  -7.101   3.890  -9.619
   13   HH12  ARG   1          HH12      ARG   1  -7.372   2.846  -8.263
   14   HH21  ARG   1          HH21      ARG   1  -8.887   4.943 -10.636
   15   HH22  ARG   1          HH22      ARG   1 -10.493   4.700 -10.034
   16    HA   PRO   2           HA       PRO   2 -10.557   0.545  -1.231
   17    HB2  PRO   2           HB2      PRO   2 -10.760  -2.093  -2.386
   18    HB3  PRO   2           HB1      PRO   2 -11.578  -1.459  -0.954
   19    HG2  PRO   2           HG2      PRO   2 -12.863  -2.111  -3.286
   20    HG3  PRO   2           HG1      PRO   2 -13.465  -0.920  -2.126
   21    HD2  PRO   2           HD2      PRO   2 -12.004  -0.483  -4.703
   22    HD3  PRO   2           HD1      PRO   2 -13.360   0.427  -4.002
   23    H    PHE   3           HN       PHE   3  -8.530   1.309  -1.685
   24    HA   PHE   3           HA       PHE   3  -7.001   0.347  -3.930
   25    HB2  PHE   3           HB2      PHE   3  -6.228   2.085  -1.575
   26    HB3  PHE   3           HB1      PHE   3  -5.198   1.762  -2.960
   27    HD1  PHE   3           HD1      PHE   3  -5.854   2.607  -5.208
   28    HD2  PHE   3           HD2      PHE   3  -7.940   3.704  -1.666
   29    HE1  PHE   3           HE1      PHE   3  -6.846   4.520  -6.390
   30    HE2  PHE   3           HE2      PHE   3  -8.940   5.617  -2.844
   31    HZ   PHE   3           HZ       PHE   3  -8.405   6.010  -5.230
   32    H    NLE   4           HN       NLE   4  -6.280  -1.682  -3.856
   33    HA   NLE   4           HA       NLE   4  -5.547  -2.783  -1.230
   34    HB2  NLE   4           HB1      NLE   4  -6.435  -4.246  -3.720
   35    HB3  NLE   4           HB2      NLE   4  -7.457  -3.875  -2.340
   36    HG2  NLE   4           HG1      NLE   4  -5.969  -5.266  -0.924
   37    HG3  NLE   4           HG2      NLE   4  -5.066  -5.704  -2.375
   38    HD2  NLE   4           HD1      NLE   4  -7.082  -6.685  -3.347
   39    HD3  NLE   4           HD2      NLE   4  -8.002  -6.230  -1.904
   40    HE1  NLE   4           HE1      NLE   4  -5.641  -8.103  -1.980
   41    HE2  NLE   4           HE2      NLE   4  -7.332  -8.573  -1.811
   42    HE3  NLE   4           HE3      NLE   4  -6.545  -7.642  -0.538
   43    H    CYS   5           HN       CYS   5  -3.503  -3.016  -0.871
   44    HA   CYS   5           HA       CYS   5  -1.497  -2.894  -2.860
   45    HB2  CYS   5           HB2      CYS   5  -1.056  -2.200  -0.560
   46    HB3  CYS   5           HB1      CYS   5  -1.338  -3.841   0.007
   47    H    THR   6           HN       THR   6  -1.576  -4.429  -4.386
   48    HA   THR   6           HA       THR   6  -2.042  -7.211  -3.662
   49    HB   THR   6           HB       THR   6  -1.527  -6.230  -6.461
   50    HG1  THR   6           HG1      THR   6  -3.351  -5.173  -4.908
   51   HG21  THR   6          HG21      THR   6  -3.107  -8.016  -7.036
   52   HG22  THR   6          HG22      THR   6  -3.337  -8.372  -5.326
   53   HG23  THR   6          HG23      THR   6  -1.768  -8.650  -6.079
   54    H    TRP   7           HN       TRP   7   0.421  -5.862  -2.875
   55    HA   TRP   7           HA       TRP   7   2.525  -6.872  -4.553
   56    HB2  TRP   7           HB2      TRP   7   2.633  -4.766  -3.103
   57    HB3  TRP   7           HB1      TRP   7   2.795  -5.848  -1.729
   58    HD1  TRP   7           HD1      TRP   7   4.716  -4.480  -4.696
   59    HE1  TRP   7           HE1      TRP   7   7.198  -5.129  -4.471
   60    HE3  TRP   7           HE3      TRP   7   4.353  -7.681  -0.735
   61    HZ2  TRP   7           HZ2      TRP   7   8.786  -6.777  -2.818
   62    HZ3  TRP   7           HZ3      TRP   7   6.403  -8.751   0.108
   63    HH2  TRP   7           HH2      TRP   7   8.571  -8.309  -0.912
   64    H    NVA   8           HN       NVX   8   2.823  -9.023  -4.614
   65    HA   NVA   8           HA       NVX   8   3.000 -11.195  -3.990
   66    HB2  NVA   8           HB1      NVX   8   4.263  -9.689  -1.728
   67    HB3  NVA   8           HB2      NVX   8   5.032 -10.625  -2.999
   68    HG2  NVA   8           HG1      NVX   8   5.218 -11.736  -0.852
   69    HG3  NVA   8           HG2      NVX   8   4.231 -12.685  -1.973
   70    HD1  NVA   8           HD       NVX   8   3.314 -10.927   0.268
   71    HA   CYS   9           HA       CYX   9  -0.184 -11.988  -0.856
   72    HB2  CYS   9           HB2      CYX   9   0.707 -13.240   1.385
   73    HB3  CYS   9           HB1      CYX   9   0.743 -14.000  -0.214
   74    H    CYS  10           HN       CYS  10   1.053  -9.326  -0.370
   75    HA   CYS  10           HA       CYS  10   0.831  -8.707   2.387
   76    HB2  CYS  10           HB2      CYS  10   2.084  -7.335   0.757
   77    HB3  CYS  10           HB1      CYS  10   0.571  -6.882  -0.008
   78    H    GLY  11           HN       GLY  11  -1.323  -7.571  -0.235
   79    HA2  GLY  11           HA2      GLY  11  -3.601  -7.410  -0.358
   80    HA3  GLY  11           HA1      GLY  11  -3.655  -8.742   0.780
   81    H    LYS  12           HN       LYS  12  -2.903  -5.257   0.816
   82    HA   LYS  12           HA       LYS  12  -4.651  -5.035   3.179
   83    HB2  LYS  12           HB2      LYS  12  -2.161  -3.447   2.526
   84    HB3  LYS  12           HB1      LYS  12  -3.262  -3.069   3.845
   85    HG2  LYS  12           HG2      LYS  12  -2.779  -5.225   4.873
   86    HG3  LYS  12           HG1      LYS  12  -1.672  -5.610   3.548
   87    HD2  LYS  12           HD2      LYS  12  -0.290  -3.695   4.142
   88    HD3  LYS  12           HD1      LYS  12  -1.397  -3.286   5.451
   89    HE2  LYS  12           HE2      LYS  12   0.562  -4.461   6.299
   90    HE3  LYS  12           HE1      LYS  12  -0.900  -5.411   6.543
   91    HZ1  LYS  12           HZ1      LYS  12   0.997  -6.727   5.735
   92    HZ2  LYS  12           HZ2      LYS  12   1.014  -5.821   4.307
   93    HZ3  LYS  12           HZ3      LYS  12  -0.324  -6.786   4.684
   94    H    ARG  13           HN       ARG  13  -6.230  -3.496   3.113
   95    HA   ARG  13           HA       ARG  13  -6.491  -2.098   0.539
   96    HB2  ARG  13           HB2      ARG  13  -8.609  -2.991   2.496
   97    HB3  ARG  13           HB1      ARG  13  -8.934  -2.054   1.045
   98    HG2  ARG  13           HG2      ARG  13  -8.122  -3.871  -0.338
   99    HG3  ARG  13           HG1      ARG  13  -7.703  -4.797   1.104
  100    HD2  ARG  13           HD2      ARG  13 -10.046  -4.861   1.757
  101    HD3  ARG  13           HD1      ARG  13 -10.477  -3.892   0.352
  102    HE   ARG  13           HE       ARG  13  -9.649  -5.814  -1.004
  103   HH11  ARG  13          HH11      ARG  13 -10.701  -6.326   2.298
  104   HH12  ARG  13          HH12      ARG  13 -11.196  -7.962   2.020
  105   HH21  ARG  13          HH21      ARG  13 -10.303  -7.972  -1.367
  106   HH22  ARG  13          HH22      ARG  13 -10.978  -8.897  -0.065
  107    H    PHE  14           HN       PHE  14  -6.863   0.026   0.431
  108    HA   PHE  14           HA       PHE  14  -7.149   1.562   2.928
  109    HB2  PHE  14           HB2      PHE  14  -5.454   2.410   0.566
  110    HB3  PHE  14           HB1      PHE  14  -5.563   3.199   2.135
  111    HD1  PHE  14           HD1      PHE  14  -4.020   0.577   0.198
  112    HD2  PHE  14           HD2      PHE  14  -4.549   2.142   4.115
  113    HE1  PHE  14           HE1      PHE  14  -2.107  -0.754   0.984
  114    HE2  PHE  14           HE2      PHE  14  -2.642   0.810   4.909
  115    HZ   PHE  14           HZ       PHE  14  -1.418  -0.639   3.342
  116    H    THR  15           HN       THR  15  -8.361   3.502   2.701
  117    HA   THR  15           HA       THR  15 -10.058   3.565   0.324
  118    HB   THR  15           HB       THR  15 -11.287   5.356   1.676
  119    HG1  THR  15           HG1      THR  15 -10.371   5.926   3.488
  120   HG21  THR  15          HG21      THR  15 -12.141   3.084   1.466
  121   HG22  THR  15          HG22      THR  15 -12.400   3.677   3.106
  122   HG23  THR  15          HG23      THR  15 -11.087   2.547   2.774
  123    H    ARG  16           HN       ARG  16  -7.167   4.736   1.027
  124    HA   ARG  16           HA       ARG  16  -7.581   7.245  -0.451
  125    HB2  ARG  16           HB2      ARG  16  -5.628   6.834   1.826
  126    HB3  ARG  16           HB1      ARG  16  -5.862   8.320   0.919
  127    HG2  ARG  16           HG2      ARG  16  -7.973   7.013   2.618
  128    HG3  ARG  16           HG1      ARG  16  -6.915   8.319   3.159
  129    HD2  ARG  16           HD2      ARG  16  -7.799   9.752   1.373
  130    HD3  ARG  16           HD1      ARG  16  -8.866   8.448   0.861
  131    HE   ARG  16           HE       ARG  16  -9.363   8.893   3.557
  132   HH11  ARG  16          HH11      ARG  16 -10.961  11.624   1.078
  133   HH12  ARG  16          HH12      ARG  16  -9.629  10.648   0.545
  134   HH21  ARG  16          HH21      ARG  16 -11.796  11.360   3.209
  135   HH22  ARG  16          HH22      ARG  16 -11.091  10.195   4.281
  136    H    SER  17           HN       SER  17  -6.346   7.411  -2.211
  137    HA   SER  17           HA       SER  17  -4.716   5.274  -3.075
  138    HB2  SER  17           HB2      SER  17  -4.117   6.887  -4.944
  139    HB3  SER  17           HB1      SER  17  -5.843   6.582  -4.730
  140    HG   SER  17           HG       SER  17  -4.666   8.904  -4.761
  141    H    ASP  18           HN       ASP  18  -3.966   8.483  -1.785
  142    HA   ASP  18           HA       ASP  18  -1.161   8.295  -2.082
  143    HB2  ASP  18           HB2      ASP  18  -1.015  10.204  -0.635
  144    HB3  ASP  18           HB1      ASP  18  -2.434  10.421  -1.650
  145    H    GLU  19           HN       GLU  19  -3.382   7.034   0.258
  146    HA   GLU  19           HA       GLU  19  -1.431   6.478   2.263
  147    HB2  GLU  19           HB2      GLU  19  -3.907   6.682   2.682
  148    HB3  GLU  19           HB1      GLU  19  -4.103   5.123   1.894
  149    HG2  GLU  19           HG2      GLU  19  -2.783   4.045   3.578
  150    HG3  GLU  19           HG1      GLU  19  -2.394   5.594   4.324
  151    H    LEU  20           HN       LEU  20  -2.955   4.658  -0.358
  152    HA   LEU  20           HA       LEU  20  -1.608   2.228   0.045
  153    HB2  LEU  20           HB2      LEU  20  -3.435   2.296  -1.490
  154    HB3  LEU  20           HB1      LEU  20  -2.654   3.527  -2.467
  155    HG   LEU  20           HG       LEU  20  -0.900   1.872  -3.083
  156   HD11  LEU  20          HD11      LEU  20  -1.306  -0.498  -2.638
  157   HD12  LEU  20          HD12      LEU  20  -2.681  -0.067  -1.620
  158   HD13  LEU  20          HD13      LEU  20  -1.049   0.418  -1.153
  159   HD21  LEU  20          HD21      LEU  20  -2.930   2.274  -4.480
  160   HD22  LEU  20          HD22      LEU  20  -3.665   0.863  -3.713
  161   HD23  LEU  20          HD23      LEU  20  -2.206   0.680  -4.679
  162    H    GLN  21           HN       GLN  21  -0.708   5.103  -1.828
  163    HA   GLN  21           HA       GLN  21   1.741   4.118  -2.809
  164    HB2  GLN  21           HB2      GLN  21   1.015   6.980  -2.145
  165    HB3  GLN  21           HB1      GLN  21   2.330   6.463  -3.190
  166    HG2  GLN  21           HG2      GLN  21  -0.607   6.050  -3.694
  167    HG3  GLN  21           HG1      GLN  21   0.436   7.227  -4.489
  168   HE21  GLN  21          HE21      GLN  21  -1.145   5.063  -5.625
  169   HE22  GLN  21          HE22      GLN  21  -0.035   4.057  -6.492
  170    H    ARG  22           HN       ARG  22   0.961   6.048   0.033
  171    HA   ARG  22           HA       ARG  22   3.419   6.306   1.253
  172    HB2  ARG  22           HB2      ARG  22   1.560   7.445   2.163
  173    HB3  ARG  22           HB1      ARG  22   0.625   5.973   2.302
  174    HG2  ARG  22           HG2      ARG  22   2.160   5.227   4.099
  175    HG3  ARG  22           HG1      ARG  22   2.948   6.809   4.013
  176    HD2  ARG  22           HD2      ARG  22   0.884   7.916   4.567
  177    HD3  ARG  22           HD1      ARG  22   0.004   6.392   4.506
  178    HE   ARG  22           HE       ARG  22   2.054   6.176   6.407
  179   HH11  ARG  22          HH11      ARG  22  -1.352   7.967   7.572
  180   HH12  ARG  22          HH12      ARG  22  -0.979   7.829   5.883
  181   HH21  ARG  22          HH21      ARG  22   1.572   6.359   8.652
  182   HH22  ARG  22          HH22      ARG  22   0.101   7.136   9.146
  183    H    HIS  23           HN       HIS  23   1.035   3.721   1.835
  184    HA   HIS  23           HA       HIS  23   2.647   2.133   3.467
  185    HB2  HIS  23           HB2      HIS  23   0.356   1.602   3.488
  186    HB3  HIS  23           HB1      HIS  23   0.258   1.554   1.730
  187    HD1  HIS  23           HD1      HIS  23   1.266  -0.573   4.692
  188    HD2  HIS  23           HD2      HIS  23   1.006  -0.814   0.533
  189    HE1  HIS  23           HE1      HIS  23   1.765  -2.991   4.064
  190    H    LYS  24           HN       LYS  24   2.244   2.169  -0.038
  191    HA   LYS  24           HA       LYS  24   3.651  -0.137  -0.688
  192    HB2  LYS  24           HB2      LYS  24   2.306   1.244  -2.266
  193    HB3  LYS  24           HB1      LYS  24   3.599   2.431  -2.280
  194    HG2  LYS  24           HG2      LYS  24   3.873   1.156  -4.227
  195    HG3  LYS  24           HG1      LYS  24   5.109   0.583  -3.106
  196    HD2  LYS  24           HD2      LYS  24   4.129  -1.336  -4.134
  197    HD3  LYS  24           HD1      LYS  24   3.548  -1.269  -2.470
  198    HE2  LYS  24           HE2      LYS  24   1.439  -0.337  -3.193
  199    HE3  LYS  24           HE1      LYS  24   2.016  -0.233  -4.855
  200    HZ1  LYS  24           HZ1      LYS  24   2.175  -2.640  -4.912
  201    HZ2  LYS  24           HZ2      LYS  24   0.600  -2.156  -4.531
  202    HZ3  LYS  24           HZ3      LYS  24   1.622  -2.739  -3.316
  203    H    ARG  25           HN       ARG  25   4.819   2.971   0.346
  204    HA   ARG  25           HA       ARG  25   7.460   2.813  -0.600
  205    HB2  ARG  25           HB2      ARG  25   6.458   4.168   1.904
  206    HB3  ARG  25           HB1      ARG  25   8.018   4.452   1.145
  207    HG2  ARG  25           HG2      ARG  25   6.831   5.232  -0.882
  208    HG3  ARG  25           HG1      ARG  25   5.308   5.065  -0.011
  209    HD2  ARG  25           HD2      ARG  25   7.613   6.849   0.765
  210    HD3  ARG  25           HD1      ARG  25   6.113   7.376   0.011
  211    HE   ARG  25           HE       ARG  25   6.067   6.049   2.640
  212   HH11  ARG  25          HH11      ARG  25   5.310   8.795   0.597
  213   HH12  ARG  25          HH12      ARG  25   4.516   9.676   1.863
  214   HH21  ARG  25          HH21      ARG  25   4.344   8.779   3.964
  215   HH22  ARG  25          HH22      ARG  25   5.027   7.217   4.304
  216    H    THR  26           HN       THR  26   5.908   0.995   1.844
  217    HA   THR  26           HA       THR  26   8.263   0.408   3.364
  218    HB   THR  26           HB       THR  26   6.947  -1.382   4.411
  219    HG1  THR  26           HG1      THR  26   4.780  -0.588   2.740
  220   HG21  THR  26          HG21      THR  26   5.400   1.197   4.126
  221   HG22  THR  26          HG22      THR  26   6.726   0.911   5.252
  222   HG23  THR  26          HG23      THR  26   5.215   0.019   5.423
  223    H    HIS  27           HN       HIS  27   6.725  -0.932   0.522
  224    HA   HIS  27           HA       HIS  27   8.502  -3.246   0.542
  225    HB2  HIS  27           HB2      HIS  27   6.537  -2.441  -1.607
  226    HB3  HIS  27           HB1      HIS  27   7.341  -3.993  -1.445
  227    HD1  HIS  27           HD1      HIS  27   6.602  -5.214   1.084
  228    HD2  HIS  27           HD2      HIS  27   4.047  -2.509  -0.798
  229    HE1  HIS  27           HE1      HIS  27   4.260  -5.661   1.993
  230    H    THR  28           HN       THR  28   7.772  -0.457  -1.516
  231    HA   THR  28           HA       THR  28  10.445  -0.732  -2.713
  232    HB   THR  28           HB       THR  28   9.429   0.248  -4.800
  233    HG1  THR  28           HG1      THR  28   7.489   1.009  -3.700
  234   HG21  THR  28          HG21      THR  28   8.352  -2.419  -3.865
  235   HG22  THR  28          HG22      THR  28   9.904  -2.139  -4.656
  236   HG23  THR  28          HG23      THR  28   8.403  -1.872  -5.542
  237    H    GLY  29           HN       GLY  29  10.730   0.757  -0.728
  238    HA2  GLY  29           HA2      GLY  29  10.737   3.493  -1.783
  239    HA3  GLY  29           HA1      GLY  29  10.003   3.218  -0.209
  240    H    GLU  30           HN       GLU  30  12.713   1.372  -1.310
  241    HA   GLU  30           HA       GLU  30  14.237   1.929   1.002
  242    HB2  GLU  30           HB2      GLU  30  14.379  -0.162  -0.356
  243    HB3  GLU  30           HB1      GLU  30  15.179   0.756  -1.624
  244    HG2  GLU  30           HG2      GLU  30  16.774  -0.495  -0.294
  245    HG3  GLU  30           HG1      GLU  30  17.029   1.242  -0.127
  246    H    LYS  31           HN       LYS  31  14.234   3.243  -2.248
  247    HA   LYS  31           HA       LYS  31  15.720   5.535  -1.303
  248    HB2  LYS  31           HB2      LYS  31  17.415   3.849  -2.171
  249    HB3  LYS  31           HB1      LYS  31  16.691   4.063  -3.758
  250    HG2  LYS  31           HG2      LYS  31  18.681   5.423  -3.548
  251    HG3  LYS  31           HG1      LYS  31  17.253   6.452  -3.680
  252    HD2  LYS  31           HD2      LYS  31  17.251   6.797  -1.276
  253    HD3  LYS  31           HD1      LYS  31  18.626   5.708  -1.099
  254    HE2  LYS  31           HE2      LYS  31  20.009   7.225  -2.412
  255    HE3  LYS  31           HE1      LYS  31  18.633   8.301  -2.642
  256    HZ1  LYS  31           HZ1      LYS  31  20.081   9.087  -0.879
  257    HZ2  LYS  31           HZ2      LYS  31  19.886   7.635  -0.033
  258    HZ3  LYS  31           HZ3      LYS  31  18.567   8.666  -0.252
  259    HN1  NH2  32           HN1      NH2  32  13.780   6.596  -1.649
  260    HN2  NH2  32           HN2      NH2  32  13.154   6.918  -3.231
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1 -14.022   4.759  -3.407
    2    H2   ARG   1           HT2      ARG   1 -13.948   5.680  -4.825
    3    H3   ARG   1           HT3      ARG   1 -12.730   5.816  -3.663
    4    HA   ARG   1           HA       ARG   1 -13.329   3.401  -5.262
    5    HB2  ARG   1           HB2      ARG   1 -11.037   5.372  -5.375
    6    HB3  ARG   1           HB1      ARG   1 -11.055   3.834  -6.222
    7    HG2  ARG   1           HG2      ARG   1 -13.005   4.569  -7.507
    8    HG3  ARG   1           HG1      ARG   1 -12.968   6.119  -6.661
    9    HD2  ARG   1           HD2      ARG   1 -10.804   4.986  -8.433
   10    HD3  ARG   1           HD1      ARG   1 -11.888   6.319  -8.829
   11    HE   ARG   1           HE       ARG   1 -10.714   7.225  -6.602
   12   HH11  ARG   1          HH11      ARG   1  -7.856   6.628  -9.357
   13   HH12  ARG   1          HH12      ARG   1  -9.365   5.788  -9.493
   14   HH21  ARG   1          HH21      ARG   1  -7.494   8.073  -7.607
   15   HH22  ARG   1          HH22      ARG   1  -8.727   8.318  -6.408
   16    HA   PRO   2           HA       PRO   2 -10.986   1.549  -1.927
   17    HB2  PRO   2           HB2      PRO   2 -11.220  -1.012  -2.660
   18    HB3  PRO   2           HB1      PRO   2 -12.609  -0.105  -2.040
   19    HG2  PRO   2           HG2      PRO   2 -11.930  -0.861  -4.838
   20    HG3  PRO   2           HG1      PRO   2 -13.514  -0.748  -4.063
   21    HD2  PRO   2           HD2      PRO   2 -12.341   1.190  -5.715
   22    HD3  PRO   2           HD1      PRO   2 -13.736   1.437  -4.648
   23    H    PHE   3           HN       PHE   3  -8.878   1.003  -1.654
   24    HA   PHE   3           HA       PHE   3  -7.318   0.353  -4.070
   25    HB2  PHE   3           HB2      PHE   3  -6.507   2.083  -1.721
   26    HB3  PHE   3           HB1      PHE   3  -5.431   1.589  -3.019
   27    HD1  PHE   3           HD1      PHE   3  -5.708   2.491  -5.282
   28    HD2  PHE   3           HD2      PHE   3  -8.150   3.784  -2.046
   29    HE1  PHE   3           HE1      PHE   3  -6.398   4.458  -6.591
   30    HE2  PHE   3           HE2      PHE   3  -8.851   5.744  -3.352
   31    HZ   PHE   3           HZ       PHE   3  -8.012   6.037  -5.680
   32    H    NLE   4           HN       NLE   4  -5.778  -1.251  -3.857
   33    HA   NLE   4           HA       NLE   4  -5.455  -2.488  -1.230
   34    HB2  NLE   4           HB1      NLE   4  -6.379  -3.992  -3.687
   35    HB3  NLE   4           HB2      NLE   4  -7.377  -3.607  -2.292
   36    HG2  NLE   4           HG1      NLE   4  -5.868  -4.981  -0.888
   37    HG3  NLE   4           HG2      NLE   4  -4.985  -5.432  -2.349
   38    HD2  NLE   4           HD1      NLE   4  -7.016  -6.424  -3.282
   39    HD3  NLE   4           HD2      NLE   4  -7.914  -5.961  -1.827
   40    HE1  NLE   4           HE1      NLE   4  -6.414  -7.356  -0.476
   41    HE2  NLE   4           HE2      NLE   4  -5.557  -7.840  -1.941
   42    HE3  NLE   4           HE3      NLE   4  -7.245  -8.299  -1.714
   43    H    CYS   5           HN       CYS   5  -3.474  -3.188  -0.886
   44    HA   CYS   5           HA       CYS   5  -1.487  -2.974  -2.965
   45    HB2  CYS   5           HB2      CYS   5  -0.881  -2.211  -0.756
   46    HB3  CYS   5           HB1      CYS   5  -1.304  -3.769  -0.057
   47    H    THR   6           HN       THR   6  -1.287  -4.563  -4.383
   48    HA   THR   6           HA       THR   6  -1.940  -7.299  -3.572
   49    HB   THR   6           HB       THR   6  -3.122  -6.429  -5.539
   50    HG1  THR   6           HG1      THR   6  -1.413  -8.630  -5.691
   51   HG21  THR   6          HG21      THR   6  -1.888  -6.049  -7.652
   52   HG22  THR   6          HG22      THR   6  -0.374  -6.184  -6.758
   53   HG23  THR   6          HG23      THR   6  -1.493  -4.870  -6.402
   54    H    TRP   7           HN       TRP   7   0.576  -5.932  -2.875
   55    HA   TRP   7           HA       TRP   7   2.679  -7.068  -4.434
   56    HB2  TRP   7           HB2      TRP   7   2.871  -5.035  -2.933
   57    HB3  TRP   7           HB1      TRP   7   2.834  -6.137  -1.566
   58    HD1  TRP   7           HD1      TRP   7   5.077  -4.964  -4.400
   59    HE1  TRP   7           HE1      TRP   7   7.487  -5.753  -3.954
   60    HE3  TRP   7           HE3      TRP   7   4.196  -8.025  -0.407
   61    HZ2  TRP   7           HZ2      TRP   7   8.827  -7.453  -2.146
   62    HZ3  TRP   7           HZ3      TRP   7   6.099  -9.190   0.621
   63    HH2  TRP   7           HH2      TRP   7   8.364  -8.914  -0.230
   64    H    NVA   8           HN       NVX   8   2.732  -9.257  -4.592
   65    HA   NVA   8           HA       NVX   8   2.862 -11.446  -4.024
   66    HB2  NVA   8           HB1      NVX   8   4.208 -10.028  -1.761
   67    HB3  NVA   8           HB2      NVX   8   4.911 -11.034  -3.017
   68    HG2  NVA   8           HG1      NVX   8   5.029 -12.113  -0.845
   69    HG3  NVA   8           HG2      NVX   8   3.986 -13.019  -1.950
   70    HD1  NVA   8           HD       NVX   8   3.159 -11.152   0.241
   71    HA   CYS   9           HA       CYX   9  -0.381 -12.068  -0.867
   72    HB2  CYS   9           HB2      CYX   9   0.403 -13.403   1.338
   73    HB3  CYS   9           HB1      CYX   9   0.490 -14.130  -0.275
   74    H    CYS  10           HN       CYS  10   0.957  -9.481  -0.397
   75    HA   CYS  10           HA       CYS  10   0.871  -8.845   2.365
   76    HB2  CYS  10           HB2      CYS  10   2.109  -7.510   0.693
   77    HB3  CYS  10           HB1      CYS  10   0.587  -7.024  -0.035
   78    H    GLY  11           HN       GLY  11  -1.339  -7.766  -0.224
   79    HA2  GLY  11           HA2      GLY  11  -3.593  -7.396  -0.238
   80    HA3  GLY  11           HA1      GLY  11  -3.691  -8.712   0.916
   81    H    LYS  12           HN       LYS  12  -2.752  -5.273   0.844
   82    HA   LYS  12           HA       LYS  12  -4.320  -4.941   3.315
   83    HB2  LYS  12           HB2      LYS  12  -1.796  -4.599   3.507
   84    HB3  LYS  12           HB1      LYS  12  -2.011  -3.177   2.495
   85    HG2  LYS  12           HG2      LYS  12  -3.332  -2.095   4.120
   86    HG3  LYS  12           HG1      LYS  12  -3.501  -3.577   5.072
   87    HD2  LYS  12           HD2      LYS  12  -1.065  -3.536   5.495
   88    HD3  LYS  12           HD1      LYS  12  -0.962  -2.004   4.625
   89    HE2  LYS  12           HE2      LYS  12  -1.040  -1.605   7.014
   90    HE3  LYS  12           HE1      LYS  12  -2.507  -0.996   6.250
   91    HZ1  LYS  12           HZ1      LYS  12  -2.264  -3.588   7.678
   92    HZ2  LYS  12           HZ2      LYS  12  -3.672  -2.981   6.969
   93    HZ3  LYS  12           HZ3      LYS  12  -2.987  -2.190   8.297
   94    H    ARG  13           HN       ARG  13  -5.836  -3.319   3.348
   95    HA   ARG  13           HA       ARG  13  -6.352  -2.143   0.701
   96    HB2  ARG  13           HB2      ARG  13  -8.328  -2.939   2.839
   97    HB3  ARG  13           HB1      ARG  13  -8.736  -2.255   1.270
   98    HG2  ARG  13           HG2      ARG  13  -7.811  -4.197   0.154
   99    HG3  ARG  13           HG1      ARG  13  -7.318  -4.872   1.708
  100    HD2  ARG  13           HD2      ARG  13  -9.686  -4.935   2.396
  101    HD3  ARG  13           HD1      ARG  13 -10.142  -4.328   0.803
  102    HE   ARG  13           HE       ARG  13  -8.583  -6.786   0.881
  103   HH11  ARG  13          HH11      ARG  13 -11.719  -5.278   0.579
  104   HH12  ARG  13          HH12      ARG  13 -12.460  -6.665  -0.151
  105   HH21  ARG  13          HH21      ARG  13  -9.548  -8.622  -0.081
  106   HH22  ARG  13          HH22      ARG  13 -11.222  -8.573  -0.529
  107    H    PHE  14           HN       PHE  14  -7.046  -0.076   0.491
  108    HA   PHE  14           HA       PHE  14  -7.164   1.648   2.869
  109    HB2  PHE  14           HB2      PHE  14  -5.622   2.401   0.376
  110    HB3  PHE  14           HB1      PHE  14  -5.655   3.254   1.914
  111    HD1  PHE  14           HD1      PHE  14  -4.179   0.561   0.011
  112    HD2  PHE  14           HD2      PHE  14  -4.478   2.348   3.856
  113    HE1  PHE  14           HE1      PHE  14  -2.165  -0.653   0.727
  114    HE2  PHE  14           HE2      PHE  14  -2.466   1.134   4.583
  115    HZ   PHE  14           HZ       PHE  14  -1.341  -0.420   3.008
  116    H    THR  15           HN       THR  15  -8.240   3.702   2.413
  117    HA   THR  15           HA       THR  15 -10.171   3.456   0.216
  118    HB   THR  15           HB       THR  15 -10.264   5.450   2.490
  119    HG1  THR  15           HG1      THR  15 -10.511   3.672   3.659
  120   HG21  THR  15          HG21      THR  15 -12.658   5.491   1.995
  121   HG22  THR  15          HG22      THR  15 -12.429   4.293   0.723
  122   HG23  THR  15          HG23      THR  15 -11.724   5.900   0.555
  123    H    ARG  16           HN       ARG  16  -7.357   5.103   1.134
  124    HA   ARG  16           HA       ARG  16  -7.790   7.095  -0.987
  125    HB2  ARG  16           HB2      ARG  16  -6.313   7.362   1.628
  126    HB3  ARG  16           HB1      ARG  16  -6.042   8.464   0.289
  127    HG2  ARG  16           HG2      ARG  16  -8.646   7.998   1.714
  128    HG3  ARG  16           HG1      ARG  16  -7.602   9.415   1.861
  129    HD2  ARG  16           HD2      ARG  16  -9.195   8.516  -0.531
  130    HD3  ARG  16           HD1      ARG  16  -9.349  10.017   0.375
  131    HE   ARG  16           HE       ARG  16  -6.780  10.039  -0.591
  132   HH11  ARG  16          HH11      ARG  16  -9.495  10.585  -3.505
  133   HH12  ARG  16          HH12      ARG  16  -9.999   9.921  -1.983
  134   HH21  ARG  16          HH21      ARG  16  -7.282  11.161  -3.832
  135   HH22  ARG  16          HH22      ARG  16  -6.120  10.898  -2.563
  136    H    SER  17           HN       SER  17  -6.333   7.246  -2.557
  137    HA   SER  17           HA       SER  17  -4.490   5.162  -3.016
  138    HB2  SER  17           HB2      SER  17  -3.752   6.804  -4.891
  139    HB3  SER  17           HB1      SER  17  -5.395   6.163  -4.940
  140    HG   SER  17           HG       SER  17  -4.923   8.593  -5.128
  141    H    ASP  18           HN       ASP  18  -4.227   8.401  -1.757
  142    HA   ASP  18           HA       ASP  18  -1.459   8.749  -1.738
  143    HB2  ASP  18           HB2      ASP  18  -3.189   9.687   0.536
  144    HB3  ASP  18           HB1      ASP  18  -1.842  10.509  -0.236
  145    H    GLU  19           HN       GLU  19  -3.590   7.012   0.407
  146    HA   GLU  19           HA       GLU  19  -1.646   6.563   2.457
  147    HB2  GLU  19           HB2      GLU  19  -4.202   6.648   2.691
  148    HB3  GLU  19           HB1      GLU  19  -4.199   5.019   2.034
  149    HG2  GLU  19           HG2      GLU  19  -2.903   4.216   3.878
  150    HG3  GLU  19           HG1      GLU  19  -2.710   5.852   4.507
  151    H    LEU  20           HN       LEU  20  -3.022   4.729  -0.221
  152    HA   LEU  20           HA       LEU  20  -1.601   2.337   0.135
  153    HB2  LEU  20           HB2      LEU  20  -3.402   2.406  -1.434
  154    HB3  LEU  20           HB1      LEU  20  -2.639   3.693  -2.348
  155    HG   LEU  20           HG       LEU  20  -0.838   2.120  -3.009
  156   HD11  LEU  20          HD11      LEU  20  -1.157  -0.277  -2.657
  157   HD12  LEU  20          HD12      LEU  20  -2.556   0.061  -1.639
  158   HD13  LEU  20          HD13      LEU  20  -0.948   0.587  -1.135
  159   HD21  LEU  20          HD21      LEU  20  -2.798   2.499  -4.445
  160   HD22  LEU  20          HD22      LEU  20  -3.602   1.132  -3.674
  161   HD23  LEU  20          HD23      LEU  20  -2.137   0.875  -4.616
  162    H    GLN  21           HN       GLN  21  -0.760   5.298  -1.631
  163    HA   GLN  21           HA       GLN  21   1.716   4.455  -2.624
  164    HB2  GLN  21           HB2      GLN  21   0.752   7.208  -1.838
  165    HB3  GLN  21           HB1      GLN  21   2.274   6.911  -2.667
  166    HG2  GLN  21           HG2      GLN  21   1.106   5.982  -4.563
  167    HG3  GLN  21           HG1      GLN  21  -0.437   6.149  -3.727
  168   HE21  GLN  21          HE21      GLN  21  -1.272   7.460  -5.343
  169   HE22  GLN  21          HE22      GLN  21  -0.770   9.106  -5.547
  170    H    ARG  22           HN       ARG  22   0.898   6.097   0.419
  171    HA   ARG  22           HA       ARG  22   3.450   6.286   1.517
  172    HB2  ARG  22           HB2      ARG  22   1.526   7.341   2.570
  173    HB3  ARG  22           HB1      ARG  22   0.809   5.775   2.897
  174    HG2  ARG  22           HG2      ARG  22   2.718   5.250   4.375
  175    HG3  ARG  22           HG1      ARG  22   3.325   6.887   4.114
  176    HD2  ARG  22           HD2      ARG  22   1.328   7.826   5.096
  177    HD3  ARG  22           HD1      ARG  22   0.609   6.225   5.245
  178    HE   ARG  22           HE       ARG  22   3.117   6.448   6.616
  179   HH11  ARG  22          HH11      ARG  22  -0.321   7.053   8.596
  180   HH12  ARG  22          HH12      ARG  22  -0.301   7.136   6.864
  181   HH21  ARG  22          HH21      ARG  22   3.105   6.342   8.885
  182   HH22  ARG  22          HH22      ARG  22   1.626   6.605   9.755
  183    H    HIS  23           HN       HIS  23   1.074   3.666   1.822
  184    HA   HIS  23           HA       HIS  23   2.663   1.937   3.355
  185    HB2  HIS  23           HB2      HIS  23   0.325   1.503   3.250
  186    HB3  HIS  23           HB1      HIS  23   0.342   1.448   1.490
  187    HD1  HIS  23           HD1      HIS  23   1.191  -0.667   4.519
  188    HD2  HIS  23           HD2      HIS  23   1.131  -0.933   0.354
  189    HE1  HIS  23           HE1      HIS  23   1.651  -3.105   3.933
  190    H    LYS  24           HN       LYS  24   2.233   2.215  -0.134
  191    HA   LYS  24           HA       LYS  24   3.630   0.027  -1.042
  192    HB2  LYS  24           HB2      LYS  24   2.373   1.556  -2.478
  193    HB3  LYS  24           HB1      LYS  24   3.563   2.818  -2.201
  194    HG2  LYS  24           HG2      LYS  24   3.986   1.933  -4.336
  195    HG3  LYS  24           HG1      LYS  24   5.256   1.315  -3.281
  196    HD2  LYS  24           HD2      LYS  24   4.156  -0.821  -3.123
  197    HD3  LYS  24           HD1      LYS  24   2.758  -0.210  -4.010
  198    HE2  LYS  24           HE2      LYS  24   4.173   0.144  -5.985
  199    HE3  LYS  24           HE1      LYS  24   5.563  -0.481  -5.098
  200    HZ1  LYS  24           HZ1      LYS  24   3.097  -2.010  -5.727
  201    HZ2  LYS  24           HZ2      LYS  24   4.459  -2.608  -4.922
  202    HZ3  LYS  24           HZ3      LYS  24   4.573  -2.147  -6.540
  203    H    ARG  25           HN       ARG  25   4.881   3.025   0.262
  204    HA   ARG  25           HA       ARG  25   7.524   2.815  -0.685
  205    HB2  ARG  25           HB2      ARG  25   6.455   4.198   1.770
  206    HB3  ARG  25           HB1      ARG  25   8.086   4.398   1.147
  207    HG2  ARG  25           HG2      ARG  25   7.189   5.299  -0.936
  208    HG3  ARG  25           HG1      ARG  25   5.550   5.096  -0.320
  209    HD2  ARG  25           HD2      ARG  25   6.257   7.394  -0.058
  210    HD3  ARG  25           HD1      ARG  25   6.069   6.636   1.520
  211    HE   ARG  25           HE       ARG  25   8.749   6.423   0.661
  212   HH11  ARG  25          HH11      ARG  25   6.445   8.750   1.887
  213   HH12  ARG  25          HH12      ARG  25   7.662   9.778   2.579
  214   HH21  ARG  25          HH21      ARG  25   9.880   9.232   2.390
  215   HH22  ARG  25          HH22      ARG  25  10.353   7.781   1.560
  216    H    THR  26           HN       THR  26   5.923   0.944   1.673
  217    HA   THR  26           HA       THR  26   8.225   0.345   3.272
  218    HB   THR  26           HB       THR  26   6.895  -1.507   4.201
  219    HG1  THR  26           HG1      THR  26   4.737  -0.689   2.542
  220   HG21  THR  26          HG21      THR  26   5.336   1.066   3.951
  221   HG22  THR  26          HG22      THR  26   6.601   0.733   5.134
  222   HG23  THR  26          HG23      THR  26   5.088  -0.172   5.181
  223    H    HIS  27           HN       HIS  27   6.651  -1.147   0.474
  224    HA   HIS  27           HA       HIS  27   8.536  -3.346   0.450
  225    HB2  HIS  27           HB2      HIS  27   6.594  -2.563  -1.730
  226    HB3  HIS  27           HB1      HIS  27   7.403  -4.109  -1.540
  227    HD1  HIS  27           HD1      HIS  27   6.652  -5.321   0.970
  228    HD2  HIS  27           HD2      HIS  27   4.087  -2.625  -0.915
  229    HE1  HIS  27           HE1      HIS  27   4.313  -5.771   1.886
  230    H    THR  28           HN       THR  28   7.990  -0.326  -1.239
  231    HA   THR  28           HA       THR  28  10.741  -0.279  -2.088
  232    HB   THR  28           HB       THR  28   9.779  -1.486  -3.963
  233    HG1  THR  28           HG1      THR  28  11.373   0.103  -4.430
  234   HG21  THR  28          HG21      THR  28   7.447  -0.804  -3.770
  235   HG22  THR  28          HG22      THR  28   8.049  -0.476  -5.395
  236   HG23  THR  28          HG23      THR  28   7.874   0.843  -4.237
  237    H    GLY  29           HN       GLY  29  11.455   1.721  -1.757
  238    HA2  GLY  29           HA2      GLY  29   9.669   3.979  -2.285
  239    HA3  GLY  29           HA1      GLY  29  10.352   3.832  -0.673
  240    H    GLU  30           HN       GLU  30  12.889   3.018  -1.155
  241    HA   GLU  30           HA       GLU  30  14.072   5.437  -2.218
  242    HB2  GLU  30           HB2      GLU  30  15.334   2.986  -0.960
  243    HB3  GLU  30           HB1      GLU  30  16.195   4.459  -1.383
  244    HG2  GLU  30           HG2      GLU  30  13.978   4.230   0.643
  245    HG3  GLU  30           HG1      GLU  30  15.698   4.361   0.996
  246    H    LYS  31           HN       LYS  31  13.023   4.654  -4.328
  247    HA   LYS  31           HA       LYS  31  14.965   3.024  -5.824
  248    HB2  LYS  31           HB2      LYS  31  12.791   1.848  -5.408
  249    HB3  LYS  31           HB1      LYS  31  11.974   3.136  -6.279
  250    HG2  LYS  31           HG2      LYS  31  12.246   1.243  -7.728
  251    HG3  LYS  31           HG1      LYS  31  13.279   2.557  -8.294
  252    HD2  LYS  31           HD2      LYS  31  15.216   1.517  -7.289
  253    HD3  LYS  31           HD1      LYS  31  14.209   0.246  -6.591
  254    HE2  LYS  31           HE2      LYS  31  15.338  -0.555  -8.592
  255    HE3  LYS  31           HE1      LYS  31  13.595  -0.497  -8.843
  256    HZ1  LYS  31           HZ1      LYS  31  15.556   1.515  -9.796
  257    HZ2  LYS  31           HZ2      LYS  31  13.883   1.603 -10.018
  258    HZ3  LYS  31           HZ3      LYS  31  14.767   0.366 -10.751
  259    HN1  NH2  32           HN1      NH2  32  12.132   4.967  -6.687
  260    HN2  NH2  32           HN2      NH2  32  12.974   6.042  -7.753
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1 -13.700   3.142  -3.298
    2    H2   ARG   1           HT2      ARG   1 -13.878   3.745  -4.864
    3    H3   ARG   1           HT3      ARG   1 -12.514   4.153  -3.952
    4    HA   ARG   1           HA       ARG   1 -13.210   1.453  -4.932
    5    HB2  ARG   1           HB2      ARG   1 -11.015   3.371  -5.746
    6    HB3  ARG   1           HB1      ARG   1 -11.155   1.709  -6.302
    7    HG2  ARG   1           HG2      ARG   1 -13.262   2.224  -7.383
    8    HG3  ARG   1           HG1      ARG   1 -13.185   3.879  -6.787
    9    HD2  ARG   1           HD2      ARG   1 -11.095   4.203  -8.054
   10    HD3  ARG   1           HD1      ARG   1 -11.249   2.564  -8.690
   11    HE   ARG   1           HE       ARG   1 -13.590   3.635  -9.408
   12   HH11  ARG   1          HH11      ARG   1 -10.670   5.778 -11.146
   13   HH12  ARG   1          HH12      ARG   1 -10.323   4.871  -9.708
   14   HH21  ARG   1          HH21      ARG   1 -12.775   5.756 -12.042
   15   HH22  ARG   1          HH22      ARG   1 -14.039   4.838 -11.287
   16    HA   PRO   2           HA       PRO   2 -10.646   0.230  -1.463
   17    HB2  PRO   2           HB2      PRO   2 -10.542  -2.379  -2.815
   18    HB3  PRO   2           HB1      PRO   2 -11.174  -1.970  -1.215
   19    HG2  PRO   2           HG2      PRO   2 -12.794  -2.633  -3.263
   20    HG3  PRO   2           HG1      PRO   2 -13.268  -1.454  -2.032
   21    HD2  PRO   2           HD2      PRO   2 -12.281  -0.989  -4.817
   22    HD3  PRO   2           HD1      PRO   2 -13.559  -0.144  -3.916
   23    H    PHE   3           HN       PHE   3  -8.681   1.178  -1.753
   24    HA   PHE   3           HA       PHE   3  -6.959   0.456  -3.948
   25    HB2  PHE   3           HB2      PHE   3  -6.493   2.147  -1.488
   26    HB3  PHE   3           HB1      PHE   3  -5.303   1.912  -2.755
   27    HD1  PHE   3           HD1      PHE   3  -5.814   2.722  -5.073
   28    HD2  PHE   3           HD2      PHE   3  -8.210   3.721  -1.704
   29    HE1  PHE   3           HE1      PHE   3  -6.782   4.602  -6.325
   30    HE2  PHE   3           HE2      PHE   3  -9.186   5.602  -2.950
   31    HZ   PHE   3           HZ       PHE   3  -8.463   6.029  -5.294
   32    H    NLE   4           HN       NLE   4  -6.267  -1.576  -3.898
   33    HA   NLE   4           HA       NLE   4  -5.587  -2.791  -1.317
   34    HB2  NLE   4           HB1      NLE   4  -6.173  -4.060  -4.000
   35    HB3  NLE   4           HB2      NLE   4  -7.322  -3.889  -2.683
   36    HG2  NLE   4           HG1      NLE   4  -6.085  -5.420  -1.317
   37    HG3  NLE   4           HG2      NLE   4  -4.774  -5.476  -2.497
   38    HD2  NLE   4           HD1      NLE   4  -6.220  -7.459  -2.645
   39    HD3  NLE   4           HD2      NLE   4  -6.271  -6.503  -4.132
   40    HE1  NLE   4           HE1      NLE   4  -8.312  -6.401  -1.913
   41    HE2  NLE   4           HE2      NLE   4  -8.508  -7.244  -3.450
   42    HE3  NLE   4           HE3      NLE   4  -8.368  -5.486  -3.420
   43    H    CYS   5           HN       CYS   5  -3.543  -3.286  -0.832
   44    HA   CYS   5           HA       CYS   5  -1.453  -2.937  -2.783
   45    HB2  CYS   5           HB2      CYS   5  -1.023  -2.321  -0.460
   46    HB3  CYS   5           HB1      CYS   5  -1.328  -3.977   0.054
   47    H    THR   6           HN       THR   6  -1.256  -4.408  -4.308
   48    HA   THR   6           HA       THR   6  -1.926  -7.188  -3.766
   49    HB   THR   6           HB       THR   6  -2.897  -6.106  -5.751
   50    HG1  THR   6           HG1      THR   6  -1.070  -8.246  -6.167
   51   HG21  THR   6          HG21      THR   6  -0.049  -5.924  -6.739
   52   HG22  THR   6          HG22      THR   6  -1.073  -4.565  -6.276
   53   HG23  THR   6          HG23      THR   6  -1.495  -5.547  -7.676
   54    H    TRP   7           HN       TRP   7   0.641  -5.690  -2.973
   55    HA   TRP   7           HA       TRP   7   2.782  -6.859  -4.412
   56    HB2  TRP   7           HB2      TRP   7   2.931  -4.832  -2.923
   57    HB3  TRP   7           HB1      TRP   7   2.799  -5.910  -1.541
   58    HD1  TRP   7           HD1      TRP   7   5.231  -4.728  -4.195
   59    HE1  TRP   7           HE1      TRP   7   7.595  -5.560  -3.612
   60    HE3  TRP   7           HE3      TRP   7   4.056  -7.872  -0.341
   61    HZ2  TRP   7           HZ2      TRP   7   8.799  -7.314  -1.757
   62    HZ3  TRP   7           HZ3      TRP   7   5.874  -9.085   0.784
   63    HH2  TRP   7           HH2      TRP   7   8.193  -8.812   0.090
   64    H    NVA   8           HN       NVX   8   2.861  -9.035  -4.584
   65    HA   NVA   8           HA       NVX   8   2.949 -11.231  -4.047
   66    HB2  NVA   8           HB1      NVX   8   4.231  -9.871  -1.714
   67    HB3  NVA   8           HB2      NVX   8   4.963 -10.875  -2.956
   68    HG2  NVA   8           HG1      NVX   8   4.984 -11.984  -0.798
   69    HG3  NVA   8           HG2      NVX   8   3.961 -12.858  -1.951
   70    HD1  NVA   8           HD       NVX   8   3.094 -10.982   0.218
   71    HA   CYS   9           HA       CYX   9  -0.418 -11.855  -1.021
   72    HB2  CYS   9           HB2      CYX   9   0.226 -13.332   1.104
   73    HB3  CYS   9           HB1      CYX   9   0.483 -13.955  -0.537
   74    H    CYS  10           HN       CYS  10   0.922  -9.317  -0.419
   75    HA   CYS  10           HA       CYS  10   0.902  -8.780   2.347
   76    HB2  CYS  10           HB2      CYS  10   1.989  -7.366   0.606
   77    HB3  CYS  10           HB1      CYS  10   0.397  -6.850   0.077
   78    H    GLY  11           HN       GLY  11  -1.497  -7.821  -0.123
   79    HA2  GLY  11           HA2      GLY  11  -3.773  -7.618  -0.019
   80    HA3  GLY  11           HA1      GLY  11  -3.712  -8.875   1.203
   81    H    LYS  12           HN       LYS  12  -3.139  -5.389   0.833
   82    HA   LYS  12           HA       LYS  12  -4.612  -5.003   3.339
   83    HB2  LYS  12           HB2      LYS  12  -2.134  -4.792   3.704
   84    HB3  LYS  12           HB1      LYS  12  -2.135  -3.446   2.574
   85    HG2  LYS  12           HG2      LYS  12  -3.464  -2.119   4.022
   86    HG3  LYS  12           HG1      LYS  12  -3.792  -3.498   5.080
   87    HD2  LYS  12           HD2      LYS  12  -1.495  -3.598   5.759
   88    HD3  LYS  12           HD1      LYS  12  -1.046  -2.355   4.593
   89    HE2  LYS  12           HE2      LYS  12  -1.191  -1.425   6.834
   90    HE3  LYS  12           HE1      LYS  12  -2.434  -0.737   5.795
   91    HZ1  LYS  12           HZ1      LYS  12  -2.844  -2.911   7.769
   92    HZ2  LYS  12           HZ2      LYS  12  -4.040  -2.241   6.779
   93    HZ3  LYS  12           HZ3      LYS  12  -3.305  -1.296   7.968
   94    H    ARG  13           HN       ARG  13  -6.184  -3.531   3.186
   95    HA   ARG  13           HA       ARG  13  -6.424  -2.160   0.602
   96    HB2  ARG  13           HB2      ARG  13  -8.548  -2.951   2.599
   97    HB3  ARG  13           HB1      ARG  13  -8.856  -2.086   1.099
   98    HG2  ARG  13           HG2      ARG  13  -8.014  -3.984  -0.177
   99    HG3  ARG  13           HG1      ARG  13  -7.679  -4.845   1.325
  100    HD2  ARG  13           HD2      ARG  13 -10.053  -4.813   1.884
  101    HD3  ARG  13           HD1      ARG  13 -10.398  -3.914   0.408
  102    HE   ARG  13           HE       ARG  13  -9.072  -6.477   0.072
  103   HH11  ARG  13          HH11      ARG  13 -12.096  -4.713   0.082
  104   HH12  ARG  13          HH12      ARG  13 -12.942  -5.902  -0.852
  105   HH21  ARG  13          HH21      ARG  13 -10.180  -8.041  -1.172
  106   HH22  ARG  13          HH22      ARG  13 -11.848  -7.788  -1.579
  107    H    PHE  14           HN       PHE  14  -6.934  -0.042   0.440
  108    HA   PHE  14           HA       PHE  14  -7.137   1.553   2.904
  109    HB2  PHE  14           HB2      PHE  14  -5.532   2.342   0.459
  110    HB3  PHE  14           HB1      PHE  14  -5.657   3.234   1.968
  111    HD1  PHE  14           HD1      PHE  14  -4.151   0.392   0.271
  112    HD2  PHE  14           HD2      PHE  14  -4.464   2.517   3.938
  113    HE1  PHE  14           HE1      PHE  14  -2.175  -0.798   1.123
  114    HE2  PHE  14           HE2      PHE  14  -2.490   1.336   4.798
  115    HZ   PHE  14           HZ       PHE  14  -1.346  -0.325   3.387
  116    H    THR  15           HN       THR  15  -8.157   3.671   2.517
  117    HA   THR  15           HA       THR  15 -10.093   3.512   0.315
  118    HB   THR  15           HB       THR  15 -11.311   5.295   1.640
  119    HG1  THR  15           HG1      THR  15  -9.783   4.484   3.867
  120   HG21  THR  15          HG21      THR  15 -10.831   2.623   2.969
  121   HG22  THR  15          HG22      THR  15 -12.032   2.970   1.725
  122   HG23  THR  15          HG23      THR  15 -12.177   3.704   3.321
  123    H    ARG  16           HN       ARG  16  -7.187   4.847   0.885
  124    HA   ARG  16           HA       ARG  16  -7.724   7.113  -0.901
  125    HB2  ARG  16           HB2      ARG  16  -5.954   7.207   1.554
  126    HB3  ARG  16           HB1      ARG  16  -6.116   8.494   0.372
  127    HG2  ARG  16           HG2      ARG  16  -8.505   8.686   0.957
  128    HG3  ARG  16           HG1      ARG  16  -8.264   7.462   2.208
  129    HD2  ARG  16           HD2      ARG  16  -8.164   9.698   3.169
  130    HD3  ARG  16           HD1      ARG  16  -6.596   8.902   3.282
  131    HE   ARG  16           HE       ARG  16  -7.096  10.715   1.038
  132   HH11  ARG  16          HH11      ARG  16  -4.268  11.327   3.828
  133   HH12  ARG  16          HH12      ARG  16  -5.421  10.049   4.044
  134   HH21  ARG  16          HH21      ARG  16  -4.357  12.654   1.959
  135   HH22  ARG  16          HH22      ARG  16  -5.579  12.387   0.754
  136    H    SER  17           HN       SER  17  -6.226   7.417  -2.475
  137    HA   SER  17           HA       SER  17  -4.499   5.241  -3.077
  138    HB2  SER  17           HB2      SER  17  -5.648   6.581  -4.820
  139    HB3  SER  17           HB1      SER  17  -4.640   7.966  -4.398
  140    HG   SER  17           HG       SER  17  -3.110   5.789  -4.862
  141    H    ASP  18           HN       ASP  18  -4.001   8.452  -1.730
  142    HA   ASP  18           HA       ASP  18  -1.171   8.455  -1.863
  143    HB2  ASP  18           HB2      ASP  18  -3.100   9.934  -0.076
  144    HB3  ASP  18           HB1      ASP  18  -1.359  10.147   0.032
  145    H    GLU  19           HN       GLU  19  -3.452   7.042   0.328
  146    HA   GLU  19           HA       GLU  19  -1.599   6.544   2.450
  147    HB2  GLU  19           HB2      GLU  19  -4.137   6.695   2.657
  148    HB3  GLU  19           HB1      GLU  19  -4.198   5.096   1.937
  149    HG2  GLU  19           HG2      GLU  19  -4.362   4.877   4.303
  150    HG3  GLU  19           HG1      GLU  19  -2.798   4.252   3.784
  151    H    LEU  20           HN       LEU  20  -3.018   4.648  -0.182
  152    HA   LEU  20           HA       LEU  20  -1.610   2.256   0.273
  153    HB2  LEU  20           HB2      LEU  20  -3.481   2.258  -1.212
  154    HB3  LEU  20           HB1      LEU  20  -2.747   3.476  -2.239
  155    HG   LEU  20           HG       LEU  20  -1.022   1.852  -2.921
  156   HD11  LEU  20          HD11      LEU  20  -1.260  -0.500  -2.362
  157   HD12  LEU  20          HD12      LEU  20  -2.626  -0.125  -1.313
  158   HD13  LEU  20          HD13      LEU  20  -1.014   0.467  -0.908
  159   HD21  LEU  20          HD21      LEU  20  -2.413   0.522  -4.354
  160   HD22  LEU  20          HD22      LEU  20  -3.128   2.127  -4.199
  161   HD23  LEU  20          HD23      LEU  20  -3.803   0.766  -3.302
  162    H    GLN  21           HN       GLN  21  -0.816   5.120  -1.650
  163    HA   GLN  21           HA       GLN  21   1.631   4.235  -2.688
  164    HB2  GLN  21           HB2      GLN  21   0.498   6.252  -3.481
  165    HB3  GLN  21           HB1      GLN  21   0.754   7.031  -1.927
  166    HG2  GLN  21           HG2      GLN  21   2.324   7.885  -3.515
  167    HG3  GLN  21           HG1      GLN  21   3.183   6.932  -2.308
  168   HE21  GLN  21          HE21      GLN  21   3.920   7.680  -5.043
  169   HE22  GLN  21          HE22      GLN  21   4.241   6.192  -5.870
  170    H    ARG  22           HN       ARG  22   0.899   6.043   0.269
  171    HA   ARG  22           HA       ARG  22   3.449   6.283   1.334
  172    HB2  ARG  22           HB2      ARG  22   1.511   7.400   2.297
  173    HB3  ARG  22           HB1      ARG  22   0.805   5.856   2.732
  174    HG2  ARG  22           HG2      ARG  22   2.550   5.462   4.351
  175    HG3  ARG  22           HG1      ARG  22   3.366   6.951   3.866
  176    HD2  ARG  22           HD2      ARG  22   0.587   6.785   5.031
  177    HD3  ARG  22           HD1      ARG  22   2.039   7.236   5.927
  178    HE   ARG  22           HE       ARG  22   2.198   9.137   4.279
  179   HH11  ARG  22          HH11      ARG  22  -1.786   9.127   4.771
  180   HH12  ARG  22          HH12      ARG  22  -0.894   7.662   5.050
  181   HH21  ARG  22          HH21      ARG  22   1.012  11.030   3.872
  182   HH22  ARG  22          HH22      ARG  22  -0.710  11.034   4.087
  183    H    HIS  23           HN       HIS  23   1.087   3.686   1.747
  184    HA   HIS  23           HA       HIS  23   2.656   2.058   3.411
  185    HB2  HIS  23           HB2      HIS  23   0.338   1.599   3.362
  186    HB3  HIS  23           HB1      HIS  23   0.308   1.508   1.605
  187    HD1  HIS  23           HD1      HIS  23   1.065  -0.584   4.654
  188    HD2  HIS  23           HD2      HIS  23   1.154  -0.877   0.497
  189    HE1  HIS  23           HE1      HIS  23   1.543  -3.030   4.099
  190    H    LYS  24           HN       LYS  24   2.243   2.073  -0.124
  191    HA   LYS  24           HA       LYS  24   3.671  -0.264  -0.660
  192    HB2  LYS  24           HB2      LYS  24   2.260   0.898  -2.320
  193    HB3  LYS  24           HB1      LYS  24   3.459   2.180  -2.420
  194    HG2  LYS  24           HG2      LYS  24   5.096   0.623  -3.297
  195    HG3  LYS  24           HG1      LYS  24   3.945  -0.705  -3.136
  196    HD2  LYS  24           HD2      LYS  24   2.445   0.461  -4.720
  197    HD3  LYS  24           HD1      LYS  24   3.674   1.708  -4.926
  198    HE2  LYS  24           HE2      LYS  24   4.130  -1.219  -5.491
  199    HE3  LYS  24           HE1      LYS  24   3.647  -0.044  -6.714
  200    HZ1  LYS  24           HZ1      LYS  24   6.132   0.111  -5.085
  201    HZ2  LYS  24           HZ2      LYS  24   5.673   1.176  -6.323
  202    HZ3  LYS  24           HZ3      LYS  24   6.042  -0.431  -6.686
  203    H    ARG  25           HN       ARG  25   4.809   2.900   0.181
  204    HA   ARG  25           HA       ARG  25   7.434   2.613  -0.865
  205    HB2  ARG  25           HB2      ARG  25   6.348   4.407   1.297
  206    HB3  ARG  25           HB1      ARG  25   7.996   4.497   0.690
  207    HG2  ARG  25           HG2      ARG  25   7.135   4.956  -1.557
  208    HG3  ARG  25           HG1      ARG  25   5.489   4.906  -0.928
  209    HD2  ARG  25           HD2      ARG  25   5.988   6.802   0.535
  210    HD3  ARG  25           HD1      ARG  25   7.645   6.832  -0.065
  211    HE   ARG  25           HE       ARG  25   6.191   7.078  -2.322
  212   HH11  ARG  25          HH11      ARG  25   6.172   8.801   0.726
  213   HH12  ARG  25          HH12      ARG  25   5.593  10.281   0.029
  214   HH21  ARG  25          HH21      ARG  25   5.200  10.421  -2.223
  215   HH22  ARG  25          HH22      ARG  25   5.459   9.042  -3.244
  216    H    THR  26           HN       THR  26   5.944   0.979   1.637
  217    HA   THR  26           HA       THR  26   8.300   0.577   3.239
  218    HB   THR  26           HB       THR  26   7.054  -1.254   4.311
  219    HG1  THR  26           HG1      THR  26   4.858  -0.622   2.613
  220   HG21  THR  26          HG21      THR  26   6.685   1.025   5.107
  221   HG22  THR  26          HG22      THR  26   5.214   0.062   5.247
  222   HG23  THR  26          HG23      THR  26   5.382   1.230   3.937
  223    H    HIS  27           HN       HIS  27   6.703  -1.030   0.552
  224    HA   HIS  27           HA       HIS  27   8.569  -3.241   0.542
  225    HB2  HIS  27           HB2      HIS  27   6.583  -2.487  -1.610
  226    HB3  HIS  27           HB1      HIS  27   7.383  -4.037  -1.404
  227    HD1  HIS  27           HD1      HIS  27   6.690  -5.096   1.228
  228    HD2  HIS  27           HD2      HIS  27   4.065  -2.602  -0.842
  229    HE1  HIS  27           HE1      HIS  27   4.360  -5.556   2.154
  230    H    THR  28           HN       THR  28   7.739  -0.559  -1.621
  231    HA   THR  28           HA       THR  28  10.402  -0.803  -2.847
  232    HB   THR  28           HB       THR  28   9.360   0.375  -4.812
  233    HG1  THR  28           HG1      THR  28   7.523   1.178  -3.605
  234   HG21  THR  28          HG21      THR  28   8.160  -2.285  -4.031
  235   HG22  THR  28          HG22      THR  28   9.700  -2.040  -4.855
  236   HG23  THR  28          HG23      THR  28   8.190  -1.620  -5.663
  237    H    GLY  29           HN       GLY  29  11.113   0.520  -0.998
  238    HA2  GLY  29           HA2      GLY  29  10.472   3.372  -1.409
  239    HA3  GLY  29           HA1      GLY  29  10.890   2.685   0.154
  240    H    GLU  30           HN       GLU  30  12.237   4.876  -0.927
  241    HA   GLU  30           HA       GLU  30  14.874   3.693  -1.502
  242    HB2  GLU  30           HB2      GLU  30  13.728   6.292  -2.551
  243    HB3  GLU  30           HB1      GLU  30  15.402   5.792  -2.749
  244    HG2  GLU  30           HG2      GLU  30  14.690   3.855  -4.039
  245    HG3  GLU  30           HG1      GLU  30  13.003   4.324  -3.827
  246    H    LYS  31           HN       LYS  31  15.188   3.652   0.773
  247    HA   LYS  31           HA       LYS  31  15.161   6.158   2.226
  248    HB2  LYS  31           HB2      LYS  31  15.928   3.367   3.106
  249    HB3  LYS  31           HB1      LYS  31  15.790   4.761   4.165
  250    HG2  LYS  31           HG2      LYS  31  13.407   4.924   3.628
  251    HG3  LYS  31           HG1      LYS  31  13.553   3.508   2.588
  252    HD2  LYS  31           HD2      LYS  31  14.216   2.152   4.499
  253    HD3  LYS  31           HD1      LYS  31  14.137   3.567   5.550
  254    HE2  LYS  31           HE2      LYS  31  11.830   2.323   4.053
  255    HE3  LYS  31           HE1      LYS  31  12.133   2.194   5.784
  256    HZ1  LYS  31           HZ1      LYS  31  11.507   4.683   4.292
  257    HZ2  LYS  31           HZ2      LYS  31  11.874   4.613   5.943
  258    HZ3  LYS  31           HZ3      LYS  31  10.478   3.866   5.353
  259    HN1  NH2  32           HN1      NH2  32  16.811   7.053   0.793
  260    HN2  NH2  32           HN2      NH2  32  18.477   6.774   1.171
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1 -12.814   4.213  -2.466
    2    H2   ARG   1           HT2      ARG   1 -13.981   3.005  -2.295
    3    H3   ARG   1           HT3      ARG   1 -14.109   4.132  -3.547
    4    HA   ARG   1           HA       ARG   1 -13.333   2.027  -4.385
    5    HB2  ARG   1           HB2      ARG   1 -11.247   4.218  -4.344
    6    HB3  ARG   1           HB1      ARG   1 -11.170   2.817  -5.400
    7    HG2  ARG   1           HG2      ARG   1 -13.362   3.517  -6.361
    8    HG3  ARG   1           HG1      ARG   1 -13.239   4.998  -5.412
    9    HD2  ARG   1           HD2      ARG   1 -11.092   5.496  -6.523
   10    HD3  ARG   1           HD1      ARG   1 -11.289   4.046  -7.505
   11    HE   ARG   1           HE       ARG   1 -13.473   5.932  -7.656
   12   HH11  ARG   1          HH11      ARG   1 -10.728   5.616 -10.570
   13   HH12  ARG   1          HH12      ARG   1 -10.438   4.867  -9.031
   14   HH21  ARG   1          HH21      ARG   1 -12.672   6.789 -10.932
   15   HH22  ARG   1          HH22      ARG   1 -13.853   6.929  -9.671
   16    HA   PRO   2           HA       PRO   2 -10.653  -0.178  -1.599
   17    HB2  PRO   2           HB2      PRO   2 -10.440  -2.472  -2.952
   18    HB3  PRO   2           HB1      PRO   2 -11.966  -1.983  -2.198
   19    HG2  PRO   2           HG2      PRO   2 -11.137  -1.866  -5.061
   20    HG3  PRO   2           HG1      PRO   2 -12.718  -2.249  -4.371
   21    HD2  PRO   2           HD2      PRO   2 -11.963   0.219  -5.417
   22    HD3  PRO   2           HD1      PRO   2 -13.340  -0.060  -4.331
   23    H    PHE   3           HN       PHE   3  -8.736   1.031  -1.733
   24    HA   PHE   3           HA       PHE   3  -6.901   0.498  -3.921
   25    HB2  PHE   3           HB2      PHE   3  -6.618   2.158  -1.411
   26    HB3  PHE   3           HB1      PHE   3  -5.344   1.964  -2.604
   27    HD1  PHE   3           HD1      PHE   3  -5.755   2.738  -4.955
   28    HD2  PHE   3           HD2      PHE   3  -8.332   3.740  -1.721
   29    HE1  PHE   3           HE1      PHE   3  -6.679   4.598  -6.273
   30    HE2  PHE   3           HE2      PHE   3  -9.261   5.600  -3.032
   31    HZ   PHE   3           HZ       PHE   3  -8.438   6.031  -5.313
   32    H    NLE   4           HN       NLE   4  -6.393  -1.611  -3.817
   33    HA   NLE   4           HA       NLE   4  -5.545  -2.752  -1.260
   34    HB2  NLE   4           HB1      NLE   4  -6.296  -4.055  -3.884
   35    HB3  NLE   4           HB2      NLE   4  -7.301  -3.955  -2.447
   36    HG2  NLE   4           HG1      NLE   4  -5.750  -5.397  -1.242
   37    HG3  NLE   4           HG2      NLE   4  -4.709  -5.475  -2.667
   38    HD2  NLE   4           HD1      NLE   4  -6.567  -6.499  -3.935
   39    HD3  NLE   4           HD2      NLE   4  -7.553  -6.477  -2.466
   40    HE1  NLE   4           HE1      NLE   4  -4.931  -7.928  -2.804
   41    HE2  NLE   4           HE2      NLE   4  -6.531  -8.667  -2.820
   42    HE3  NLE   4           HE3      NLE   4  -5.927  -7.909  -1.350
   43    H    CYS   5           HN       CYS   5  -3.497  -3.136  -0.845
   44    HA   CYS   5           HA       CYS   5  -1.448  -2.714  -2.801
   45    HB2  CYS   5           HB2      CYS   5  -0.987  -2.135  -0.500
   46    HB3  CYS   5           HB1      CYS   5  -1.344  -3.772   0.027
   47    H    THR   6           HN       THR   6  -1.100  -4.143  -4.351
   48    HA   THR   6           HA       THR   6  -1.870  -6.920  -3.908
   49    HB   THR   6           HB       THR   6  -1.563  -7.070  -6.424
   50    HG1  THR   6           HG1      THR   6  -0.846  -5.361  -7.436
   51   HG21  THR   6          HG21      THR   6  -3.683  -5.909  -6.893
   52   HG22  THR   6          HG22      THR   6  -3.571  -5.096  -5.333
   53   HG23  THR   6          HG23      THR   6  -3.765  -6.846  -5.401
   54    H    TRP   7           HN       TRP   7   0.686  -5.643  -2.947
   55    HA   TRP   7           HA       TRP   7   2.807  -6.857  -4.414
   56    HB2  TRP   7           HB2      TRP   7   3.031  -4.889  -2.843
   57    HB3  TRP   7           HB1      TRP   7   2.831  -6.017  -1.510
   58    HD1  TRP   7           HD1      TRP   7   5.282  -5.150  -4.331
   59    HE1  TRP   7           HE1      TRP   7   7.617  -6.024  -3.689
   60    HE3  TRP   7           HE3      TRP   7   4.055  -7.689  -0.068
   61    HZ2  TRP   7           HZ2      TRP   7   8.777  -7.577  -1.636
   62    HZ3  TRP   7           HZ3      TRP   7   5.839  -8.836   1.174
   63    HH2  TRP   7           HH2      TRP   7   8.148  -8.782   0.405
   64    H    NVA   8           HN       NVX   8   2.740  -8.994  -4.668
   65    HA   NVA   8           HA       NVX   8   2.258 -11.188  -4.319
   66    HB2  NVA   8           HB1      NVX   8   4.611 -10.784  -3.511
   67    HB3  NVA   8           HB2      NVX   8   3.832 -12.258  -2.955
   68    HG2  NVA   8           HG1      NVX   8   4.239  -9.731  -1.386
   69    HG3  NVA   8           HG2      NVX   8   5.045 -11.286  -1.146
   70    HD1  NVA   8           HD       NVX   8   2.931 -10.542   0.278
   71    HA   CYS   9           HA       CYX   9  -0.199 -12.138  -0.690
   72    HB2  CYS   9           HB2      CYX   9   1.250 -12.896   1.567
   73    HB3  CYS   9           HB1      CYX   9   1.013 -13.891   0.123
   74    H    CYS  10           HN       CYS  10   1.034  -9.256  -0.310
   75    HA   CYS  10           HA       CYS  10   0.620  -8.656   2.436
   76    HB2  CYS  10           HB2      CYS  10   2.035  -7.298   0.929
   77    HB3  CYS  10           HB1      CYS  10   0.599  -6.800   0.053
   78    H    GLY  11           HN       GLY  11  -1.273  -7.492  -0.361
   79    HA2  GLY  11           HA2      GLY  11  -3.513  -7.144  -0.625
   80    HA3  GLY  11           HA1      GLY  11  -3.722  -8.541   0.414
   81    H    LYS  12           HN       LYS  12  -2.446  -5.289   1.075
   82    HA   LYS  12           HA       LYS  12  -4.407  -5.064   3.241
   83    HB2  LYS  12           HB2      LYS  12  -1.900  -4.663   3.615
   84    HB3  LYS  12           HB1      LYS  12  -2.120  -3.169   2.712
   85    HG2  LYS  12           HG2      LYS  12  -3.580  -2.284   4.339
   86    HG3  LYS  12           HG1      LYS  12  -3.735  -3.847   5.155
   87    HD2  LYS  12           HD2      LYS  12  -1.284  -3.729   5.652
   88    HD3  LYS  12           HD1      LYS  12  -1.293  -2.083   5.020
   89    HE2  LYS  12           HE2      LYS  12  -2.960  -3.081   7.326
   90    HE3  LYS  12           HE1      LYS  12  -1.473  -2.144   7.472
   91    HZ1  LYS  12           HZ1      LYS  12  -3.458  -0.769   7.679
   92    HZ2  LYS  12           HZ2      LYS  12  -3.951  -1.212   6.125
   93    HZ3  LYS  12           HZ3      LYS  12  -2.533  -0.316   6.340
   94    H    ARG  13           HN       ARG  13  -5.985  -3.524   3.234
   95    HA   ARG  13           HA       ARG  13  -6.357  -2.206   0.632
   96    HB2  ARG  13           HB2      ARG  13  -8.405  -3.129   2.650
   97    HB3  ARG  13           HB1      ARG  13  -8.769  -2.359   1.112
   98    HG2  ARG  13           HG2      ARG  13  -7.940  -4.208  -0.112
   99    HG3  ARG  13           HG1      ARG  13  -7.224  -4.920   1.334
  100    HD2  ARG  13           HD2      ARG  13  -9.293  -6.064   0.674
  101    HD3  ARG  13           HD1      ARG  13  -9.436  -5.311   2.260
  102    HE   ARG  13           HE       ARG  13 -10.394  -3.455   0.471
  103   HH11  ARG  13          HH11      ARG  13 -11.191  -6.725   1.415
  104   HH12  ARG  13          HH12      ARG  13 -12.869  -6.571   1.007
  105   HH21  ARG  13          HH21      ARG  13 -12.600  -3.244  -0.066
  106   HH22  ARG  13          HH22      ARG  13 -13.673  -4.591   0.152
  107    H    PHE  14           HN       PHE  14  -6.886  -0.096   0.482
  108    HA   PHE  14           HA       PHE  14  -7.172   1.464   2.967
  109    HB2  PHE  14           HB2      PHE  14  -5.579   2.341   0.545
  110    HB3  PHE  14           HB1      PHE  14  -5.718   3.184   2.082
  111    HD1  PHE  14           HD1      PHE  14  -4.138   0.457   0.280
  112    HD2  PHE  14           HD2      PHE  14  -4.533   2.393   4.043
  113    HE1  PHE  14           HE1      PHE  14  -2.143  -0.726   1.092
  114    HE2  PHE  14           HE2      PHE  14  -2.539   1.209   4.863
  115    HZ   PHE  14           HZ       PHE  14  -1.344  -0.347   3.385
  116    H    THR  15           HN       THR  15  -8.189   3.585   2.608
  117    HA   THR  15           HA       THR  15 -10.174   3.460   0.455
  118    HB   THR  15           HB       THR  15 -11.221   5.375   1.782
  119    HG1  THR  15           HG1      THR  15 -10.506   5.438   4.004
  120   HG21  THR  15          HG21      THR  15 -12.132   3.126   1.884
  121   HG22  THR  15          HG22      THR  15 -12.160   3.849   3.490
  122   HG23  THR  15          HG23      THR  15 -10.924   2.662   3.080
  123    H    ARG  16           HN       ARG  16  -7.210   4.766   0.947
  124    HA   ARG  16           HA       ARG  16  -7.760   7.040  -0.822
  125    HB2  ARG  16           HB2      ARG  16  -6.023   7.080   1.656
  126    HB3  ARG  16           HB1      ARG  16  -6.106   8.379   0.478
  127    HG2  ARG  16           HG2      ARG  16  -8.496   8.655   0.983
  128    HG3  ARG  16           HG1      ARG  16  -8.363   7.392   2.209
  129    HD2  ARG  16           HD2      ARG  16  -8.226   9.606   3.222
  130    HD3  ARG  16           HD1      ARG  16  -6.708   8.734   3.407
  131    HE   ARG  16           HE       ARG  16  -7.029  10.664   1.214
  132   HH11  ARG  16          HH11      ARG  16  -4.174  10.852   4.040
  133   HH12  ARG  16          HH12      ARG  16  -5.463   9.705   4.198
  134   HH21  ARG  16          HH21      ARG  16  -4.108  12.265   2.230
  135   HH22  ARG  16          HH22      ARG  16  -5.338  12.180   1.008
  136    H    SER  17           HN       SER  17  -6.254   7.402  -2.375
  137    HA   SER  17           HA       SER  17  -4.542   5.228  -3.053
  138    HB2  SER  17           HB2      SER  17  -3.887   6.789  -4.955
  139    HB3  SER  17           HB1      SER  17  -5.600   6.384  -4.848
  140    HG   SER  17           HG       SER  17  -4.395   8.800  -4.675
  141    H    ASP  18           HN       ASP  18  -4.077   8.468  -1.773
  142    HA   ASP  18           HA       ASP  18  -1.270   8.566  -1.845
  143    HB2  ASP  18           HB2      ASP  18  -3.187   9.804   0.143
  144    HB3  ASP  18           HB1      ASP  18  -1.478  10.199   0.034
  145    H    GLU  19           HN       GLU  19  -3.503   7.017   0.326
  146    HA   GLU  19           HA       GLU  19  -1.612   6.524   2.407
  147    HB2  GLU  19           HB2      GLU  19  -4.231   6.572   2.500
  148    HB3  GLU  19           HB1      GLU  19  -4.093   4.887   2.020
  149    HG2  GLU  19           HG2      GLU  19  -4.282   5.058   4.416
  150    HG3  GLU  19           HG1      GLU  19  -2.682   4.456   3.973
  151    H    LEU  20           HN       LEU  20  -3.047   4.613  -0.196
  152    HA   LEU  20           HA       LEU  20  -1.631   2.234   0.229
  153    HB2  LEU  20           HB2      LEU  20  -3.491   2.228  -1.260
  154    HB3  LEU  20           HB1      LEU  20  -2.778   3.476  -2.266
  155    HG   LEU  20           HG       LEU  20  -1.019   1.886  -2.962
  156   HD11  LEU  20          HD11      LEU  20  -1.251  -0.479  -2.459
  157   HD12  LEU  20          HD12      LEU  20  -2.623  -0.132  -1.409
  158   HD13  LEU  20          HD13      LEU  20  -1.016   0.463  -0.987
  159   HD21  LEU  20          HD21      LEU  20  -2.399   0.546  -4.423
  160   HD22  LEU  20          HD22      LEU  20  -3.072   2.171  -4.288
  161   HD23  LEU  20          HD23      LEU  20  -3.806   0.832  -3.402
  162    H    GLN  21           HN       GLN  21  -0.836   5.083  -1.728
  163    HA   GLN  21           HA       GLN  21   1.553   4.086  -2.819
  164    HB2  GLN  21           HB2      GLN  21   0.263   6.151  -3.536
  165    HB3  GLN  21           HB1      GLN  21   0.999   6.984  -2.173
  166    HG2  GLN  21           HG2      GLN  21   2.208   7.468  -4.197
  167    HG3  GLN  21           HG1      GLN  21   3.218   6.523  -3.105
  168   HE21  GLN  21          HE21      GLN  21   4.525   5.798  -4.786
  169   HE22  GLN  21          HE22      GLN  21   3.986   4.616  -5.929
  170    H    ARG  22           HN       ARG  22   0.921   5.991   0.102
  171    HA   ARG  22           HA       ARG  22   3.574   6.261   0.978
  172    HB2  ARG  22           HB2      ARG  22   1.682   7.534   1.920
  173    HB3  ARG  22           HB1      ARG  22   1.047   6.061   2.628
  174    HG2  ARG  22           HG2      ARG  22   2.968   5.880   4.077
  175    HG3  ARG  22           HG1      ARG  22   3.702   7.298   3.320
  176    HD2  ARG  22           HD2      ARG  22   1.809   8.662   4.069
  177    HD3  ARG  22           HD1      ARG  22   1.095   7.247   4.838
  178    HE   ARG  22           HE       ARG  22   3.406   7.292   6.088
  179   HH11  ARG  22          HH11      ARG  22   1.828  10.954   6.602
  180   HH12  ARG  22          HH12      ARG  22   1.328   9.979   5.261
  181   HH21  ARG  22          HH21      ARG  22   4.055   8.556   7.877
  182   HH22  ARG  22          HH22      ARG  22   3.382  10.140   8.100
  183    H    HIS  23           HN       HIS  23   1.122   3.807   1.705
  184    HA   HIS  23           HA       HIS  23   2.679   2.212   3.403
  185    HB2  HIS  23           HB2      HIS  23   0.367   1.757   3.409
  186    HB3  HIS  23           HB1      HIS  23   0.293   1.651   1.655
  187    HD1  HIS  23           HD1      HIS  23   1.030  -0.435   4.705
  188    HD2  HIS  23           HD2      HIS  23   1.132  -0.766   0.548
  189    HE1  HIS  23           HE1      HIS  23   1.452  -2.895   4.172
  190    H    LYS  24           HN       LYS  24   2.251   2.131  -0.112
  191    HA   LYS  24           HA       LYS  24   3.575  -0.248  -0.659
  192    HB2  LYS  24           HB2      LYS  24   2.227   1.177  -2.253
  193    HB3  LYS  24           HB1      LYS  24   3.649   2.196  -2.426
  194    HG2  LYS  24           HG2      LYS  24   3.567   0.680  -4.266
  195    HG3  LYS  24           HG1      LYS  24   4.905   0.207  -3.218
  196    HD2  LYS  24           HD2      LYS  24   3.525  -1.539  -2.225
  197    HD3  LYS  24           HD1      LYS  24   2.162  -1.049  -3.230
  198    HE2  LYS  24           HE2      LYS  24   4.802  -2.123  -4.224
  199    HE3  LYS  24           HE1      LYS  24   3.284  -3.017  -4.145
  200    HZ1  LYS  24           HZ1      LYS  24   2.331  -1.373  -5.688
  201    HZ2  LYS  24           HZ2      LYS  24   3.626  -2.223  -6.361
  202    HZ3  LYS  24           HZ3      LYS  24   3.848  -0.636  -5.825
  203    H    ARG  25           HN       ARG  25   4.868   2.870   0.161
  204    HA   ARG  25           HA       ARG  25   7.496   2.464  -0.824
  205    HB2  ARG  25           HB2      ARG  25   6.529   4.277   1.386
  206    HB3  ARG  25           HB1      ARG  25   8.128   4.339   0.659
  207    HG2  ARG  25           HG2      ARG  25   7.087   4.851  -1.519
  208    HG3  ARG  25           HG1      ARG  25   5.508   4.880  -0.729
  209    HD2  ARG  25           HD2      ARG  25   6.316   6.690   0.746
  210    HD3  ARG  25           HD1      ARG  25   7.854   6.675  -0.111
  211    HE   ARG  25           HE       ARG  25   5.832   7.047  -1.997
  212   HH11  ARG  25          HH11      ARG  25   7.266   8.733   0.709
  213   HH12  ARG  25          HH12      ARG  25   6.892  10.312   0.093
  214   HH21  ARG  25          HH21      ARG  25   5.792  10.542  -1.906
  215   HH22  ARG  25          HH22      ARG  25   5.331   9.136  -2.813
  216    H    THR  26           HN       THR  26   5.906   0.908   1.685
  217    HA   THR  26           HA       THR  26   8.203   0.502   3.369
  218    HB   THR  26           HB       THR  26   6.871  -1.251   4.473
  219    HG1  THR  26           HG1      THR  26   4.691  -0.601   2.784
  220   HG21  THR  26          HG21      THR  26   6.576   1.065   5.189
  221   HG22  THR  26          HG22      THR  26   5.057   0.174   5.311
  222   HG23  THR  26          HG23      THR  26   5.318   1.289   3.971
  223    H    HIS  27           HN       HIS  27   6.706  -1.114   0.640
  224    HA   HIS  27           HA       HIS  27   8.525  -3.376   0.838
  225    HB2  HIS  27           HB2      HIS  27   6.627  -2.781  -1.431
  226    HB3  HIS  27           HB1      HIS  27   7.385  -4.316  -1.051
  227    HD1  HIS  27           HD1      HIS  27   6.522  -5.233   1.539
  228    HD2  HIS  27           HD2      HIS  27   4.102  -2.689  -0.709
  229    HE1  HIS  27           HE1      HIS  27   4.138  -5.537   2.402
  230    H    THR  28           HN       THR  28   7.674  -1.000  -1.652
  231    HA   THR  28           HA       THR  28  10.362  -0.485  -2.390
  232    HB   THR  28           HB       THR  28  10.335  -2.682  -3.344
  233    HG1  THR  28           HG1      THR  28  11.351  -1.810  -4.954
  234   HG21  THR  28          HG21      THR  28   8.700  -3.372  -5.060
  235   HG22  THR  28          HG22      THR  28   7.796  -1.885  -4.770
  236   HG23  THR  28          HG23      THR  28   7.951  -3.089  -3.489
  237    H    GLY  29           HN       GLY  29   9.549   1.628  -2.151
  238    HA2  GLY  29           HA2      GLY  29   8.319   2.654  -4.580
  239    HA3  GLY  29           HA1      GLY  29   7.409   2.910  -3.099
  240    H    GLU  30           HN       GLU  30  10.769   2.846  -2.674
  241    HA   GLU  30           HA       GLU  30  10.896   5.785  -2.713
  242    HB2  GLU  30           HB2      GLU  30  10.644   4.898  -0.404
  243    HB3  GLU  30           HB1      GLU  30  12.100   3.941  -0.634
  244    HG2  GLU  30           HG2      GLU  30  13.402   5.990  -0.908
  245    HG3  GLU  30           HG1      GLU  30  11.942   6.946  -0.655
  246    H    LYS  31           HN       LYS  31  11.753   5.040  -4.917
  247    HA   LYS  31           HA       LYS  31  14.515   4.094  -4.772
  248    HB2  LYS  31           HB2      LYS  31  12.681   4.474  -7.144
  249    HB3  LYS  31           HB1      LYS  31  14.332   3.885  -7.244
  250    HG2  LYS  31           HG2      LYS  31  13.747   1.936  -5.932
  251    HG3  LYS  31           HG1      LYS  31  12.097   2.534  -5.746
  252    HD2  LYS  31           HD2      LYS  31  11.783   2.415  -8.168
  253    HD3  LYS  31           HD1      LYS  31  13.437   1.829  -8.354
  254    HE2  LYS  31           HE2      LYS  31  12.896  -0.161  -7.061
  255    HE3  LYS  31           HE1      LYS  31  11.254   0.434  -6.805
  256    HZ1  LYS  31           HZ1      LYS  31  12.461  -0.232  -9.436
  257    HZ2  LYS  31           HZ2      LYS  31  10.884   0.325  -9.187
  258    HZ3  LYS  31           HZ3      LYS  31  11.350  -1.186  -8.592
  259    HN1  NH2  32           HN1      NH2  32  12.769   6.523  -6.665
  260    HN2  NH2  32           HN2      NH2  32  14.015   7.722  -6.614
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1 -14.701   3.355  -5.078
    2    H2   ARG   1           HT2      ARG   1 -13.415   4.074  -4.249
    3    H3   ARG   1           HT3      ARG   1 -14.426   2.980  -3.453
    4    HA   ARG   1           HA       ARG   1 -13.684   1.197  -4.880
    5    HB2  ARG   1           HB2      ARG   1 -11.801   3.301  -5.967
    6    HB3  ARG   1           HB1      ARG   1 -11.717   1.585  -6.336
    7    HG2  ARG   1           HG2      ARG   1 -13.939   1.719  -7.376
    8    HG3  ARG   1           HG1      ARG   1 -13.970   3.453  -7.044
    9    HD2  ARG   1           HD2      ARG   1 -12.017   1.979  -8.806
   10    HD3  ARG   1           HD1      ARG   1 -13.284   3.083  -9.332
   11    HE   ARG   1           HE       ARG   1 -12.016   4.840  -8.079
   12   HH11  ARG   1          HH11      ARG   1  -8.847   2.756  -9.420
   13   HH12  ARG   1          HH12      ARG   1 -10.389   1.981  -9.280
   14   HH21  ARG   1          HH21      ARG   1  -8.610   4.964  -8.831
   15   HH22  ARG   1          HH22      ARG   1  -9.974   5.860  -8.242
   16    HA   PRO   2           HA       PRO   2 -10.731   0.939  -1.536
   17    HB2  PRO   2           HB2      PRO   2 -10.466  -1.727  -1.471
   18    HB3  PRO   2           HB1      PRO   2 -11.948  -0.928  -0.919
   19    HG2  PRO   2           HG2      PRO   2 -11.402  -2.359  -3.475
   20    HG3  PRO   2           HG1      PRO   2 -12.879  -2.324  -2.505
   21    HD2  PRO   2           HD2      PRO   2 -12.404  -0.807  -4.790
   22    HD3  PRO   2           HD1      PRO   2 -13.650  -0.467  -3.571
   23    H    PHE   3           HN       PHE   3  -8.602   1.167  -1.563
   24    HA   PHE   3           HA       PHE   3  -7.116   0.378  -3.947
   25    HB2  PHE   3           HB2      PHE   3  -6.356   2.119  -1.594
   26    HB3  PHE   3           HB1      PHE   3  -5.322   1.801  -2.978
   27    HD1  PHE   3           HD1      PHE   3  -5.991   2.593  -5.226
   28    HD2  PHE   3           HD2      PHE   3  -8.090   3.735  -1.704
   29    HE1  PHE   3           HE1      PHE   3  -7.021   4.460  -6.451
   30    HE2  PHE   3           HE2      PHE   3  -9.125   5.603  -2.922
   31    HZ   PHE   3           HZ       PHE   3  -8.595   5.969  -5.299
   32    H    NLE   4           HN       NLE   4  -6.349  -1.615  -3.910
   33    HA   NLE   4           HA       NLE   4  -5.615  -2.798  -1.325
   34    HB2  NLE   4           HB1      NLE   4  -6.316  -4.150  -3.939
   35    HB3  NLE   4           HB2      NLE   4  -7.421  -3.911  -2.593
   36    HG2  NLE   4           HG1      NLE   4  -5.958  -5.327  -1.189
   37    HG3  NLE   4           HG2      NLE   4  -4.946  -5.626  -2.605
   38    HD2  NLE   4           HD1      NLE   4  -6.839  -6.637  -3.767
   39    HD3  NLE   4           HD2      NLE   4  -7.884  -6.301  -2.377
   40    HE1  NLE   4           HE1      NLE   4  -7.127  -8.619  -2.365
   41    HE2  NLE   4           HE2      NLE   4  -6.480  -7.737  -0.982
   42    HE3  NLE   4           HE3      NLE   4  -5.450  -8.078  -2.372
   43    H    CYS   5           HN       CYS   5  -3.581  -3.233  -0.896
   44    HA   CYS   5           HA       CYS   5  -1.501  -2.707  -2.771
   45    HB2  CYS   5           HB2      CYS   5  -1.166  -2.291  -0.386
   46    HB3  CYS   5           HB1      CYS   5  -1.402  -4.000  -0.040
   47    H    THR   6           HN       THR   6  -1.495  -4.046  -4.483
   48    HA   THR   6           HA       THR   6  -1.737  -6.919  -4.117
   49    HB   THR   6           HB       THR   6  -1.203  -5.530  -6.735
   50    HG1  THR   6           HG1      THR   6  -3.252  -5.048  -5.109
   51   HG21  THR   6          HG21      THR   6  -2.763  -8.016  -5.996
   52   HG22  THR   6          HG22      THR   6  -1.146  -7.989  -6.699
   53   HG23  THR   6          HG23      THR   6  -2.521  -7.397  -7.629
   54    H    TRP   7           HN       TRP   7   0.355  -6.413  -2.777
   55    HA   TRP   7           HA       TRP   7   2.683  -6.906  -4.505
   56    HB2  TRP   7           HB2      TRP   7   2.730  -4.780  -3.154
   57    HB3  TRP   7           HB1      TRP   7   2.685  -5.768  -1.701
   58    HD1  TRP   7           HD1      TRP   7   5.016  -4.616  -4.461
   59    HE1  TRP   7           HE1      TRP   7   7.429  -5.278  -3.858
   60    HE3  TRP   7           HE3      TRP   7   4.060  -7.573  -0.404
   61    HZ2  TRP   7           HZ2      TRP   7   8.746  -6.847  -1.916
   62    HZ3  TRP   7           HZ3      TRP   7   5.952  -8.612   0.765
   63    HH2  TRP   7           HH2      TRP   7   8.243  -8.258   0.025
   64    H    NVA   8           HN       NVX   8   3.070  -9.049  -4.500
   65    HA   NVA   8           HA       NVX   8   3.257 -11.206  -3.827
   66    HB2  NVA   8           HB1      NVX   8   4.246  -9.636  -1.477
   67    HB3  NVA   8           HB2      NVX   8   5.151 -10.630  -2.607
   68    HG2  NVA   8           HG1      NVX   8   5.077 -11.640  -0.400
   69    HG3  NVA   8           HG2      NVX   8   4.227 -12.640  -1.588
   70    HD1  NVA   8           HD       NVX   8   3.052 -10.785   0.448
   71    HA   CYS   9           HA       CYX   9  -0.303 -11.830  -1.021
   72    HB2  CYS   9           HB2      CYX   9   0.267 -13.196   1.210
   73    HB3  CYS   9           HB1      CYX   9   0.616 -13.876  -0.390
   74    H    CYS  10           HN       CYS  10   0.928  -9.218  -0.403
   75    HA   CYS  10           HA       CYS  10   0.559  -8.651   2.363
   76    HB2  CYS  10           HB2      CYS  10   1.991  -7.323   0.810
   77    HB3  CYS  10           HB1      CYS  10   0.538  -6.739   0.019
   78    H    GLY  11           HN       GLY  11  -1.335  -7.407  -0.414
   79    HA2  GLY  11           HA2      GLY  11  -3.587  -7.109  -0.684
   80    HA3  GLY  11           HA1      GLY  11  -3.766  -8.520   0.338
   81    H    LYS  12           HN       LYS  12  -2.458  -5.350   1.238
   82    HA   LYS  12           HA       LYS  12  -4.583  -5.099   3.229
   83    HB2  LYS  12           HB2      LYS  12  -2.183  -4.724   3.880
   84    HB3  LYS  12           HB1      LYS  12  -2.169  -3.318   2.824
   85    HG2  LYS  12           HG2      LYS  12  -3.782  -2.198   4.163
   86    HG3  LYS  12           HG1      LYS  12  -4.070  -3.650   5.130
   87    HD2  LYS  12           HD2      LYS  12  -1.766  -3.547   5.959
   88    HD3  LYS  12           HD1      LYS  12  -1.488  -2.087   5.009
   89    HE2  LYS  12           HE2      LYS  12  -3.294  -0.964   6.266
   90    HE3  LYS  12           HE1      LYS  12  -3.488  -2.417   7.244
   91    HZ1  LYS  12           HZ1      LYS  12  -1.001  -0.806   7.076
   92    HZ2  LYS  12           HZ2      LYS  12  -1.254  -2.149   8.069
   93    HZ3  LYS  12           HZ3      LYS  12  -2.124  -0.723   8.334
   94    H    ARG  13           HN       ARG  13  -6.129  -3.497   3.153
   95    HA   ARG  13           HA       ARG  13  -6.260  -2.092   0.571
   96    HB2  ARG  13           HB2      ARG  13  -8.519  -3.009   2.355
   97    HB3  ARG  13           HB1      ARG  13  -8.713  -2.143   0.838
   98    HG2  ARG  13           HG2      ARG  13  -7.683  -3.997  -0.360
   99    HG3  ARG  13           HG1      ARG  13  -7.467  -4.862   1.162
  100    HD2  ARG  13           HD2      ARG  13 -10.092  -4.053  -0.083
  101    HD3  ARG  13           HD1      ARG  13  -9.425  -5.683  -0.022
  102    HE   ARG  13           HE       ARG  13  -9.750  -4.454   2.560
  103   HH11  ARG  13          HH11      ARG  13 -11.292  -6.354   0.064
  104   HH12  ARG  13          HH12      ARG  13 -12.467  -7.042   1.139
  105   HH21  ARG  13          HH21      ARG  13 -11.300  -5.345   3.974
  106   HH22  ARG  13          HH22      ARG  13 -12.464  -6.479   3.366
  107    H    PHE  14           HN       PHE  14  -6.864   0.018   0.457
  108    HA   PHE  14           HA       PHE  14  -7.131   1.505   2.982
  109    HB2  PHE  14           HB2      PHE  14  -5.499   2.391   0.590
  110    HB3  PHE  14           HB1      PHE  14  -5.650   3.234   2.128
  111    HD1  PHE  14           HD1      PHE  14  -4.111   0.449   0.363
  112    HD2  PHE  14           HD2      PHE  14  -4.490   2.456   4.090
  113    HE1  PHE  14           HE1      PHE  14  -2.149  -0.766   1.210
  114    HE2  PHE  14           HE2      PHE  14  -2.528   1.247   4.947
  115    HZ   PHE  14           HZ       PHE  14  -1.356  -0.363   3.503
  116    H    THR  15           HN       THR  15  -8.193   3.576   2.742
  117    HA   THR  15           HA       THR  15 -10.134   3.584   0.554
  118    HB   THR  15           HB       THR  15 -11.184   5.450   1.932
  119    HG1  THR  15           HG1      THR  15  -9.506   4.467   4.013
  120   HG21  THR  15          HG21      THR  15 -10.874   2.726   3.208
  121   HG22  THR  15          HG22      THR  15 -12.068   3.177   1.991
  122   HG23  THR  15          HG23      THR  15 -12.132   3.896   3.599
  123    H    ARG  16           HN       ARG  16  -7.154   4.796   1.100
  124    HA   ARG  16           HA       ARG  16  -7.618   7.151  -0.594
  125    HB2  ARG  16           HB2      ARG  16  -5.732   6.932   1.760
  126    HB3  ARG  16           HB1      ARG  16  -5.775   8.286   0.645
  127    HG2  ARG  16           HG2      ARG  16  -8.016   8.841   1.355
  128    HG3  ARG  16           HG1      ARG  16  -8.054   7.426   2.412
  129    HD2  ARG  16           HD2      ARG  16  -6.273   8.325   3.759
  130    HD3  ARG  16           HD1      ARG  16  -6.054   9.669   2.647
  131    HE   ARG  16           HE       ARG  16  -8.694   9.717   3.567
  132   HH11  ARG  16          HH11      ARG  16  -5.925  11.281   6.016
  133   HH12  ARG  16          HH12      ARG  16  -5.457  10.133   4.807
  134   HH21  ARG  16          HH21      ARG  16  -8.131  11.899   6.229
  135   HH22  ARG  16          HH22      ARG  16  -9.326  11.226   5.168
  136    H    SER  17           HN       SER  17  -6.298   7.318  -2.310
  137    HA   SER  17           HA       SER  17  -4.727   5.084  -3.077
  138    HB2  SER  17           HB2      SER  17  -4.097   6.692  -4.997
  139    HB3  SER  17           HB1      SER  17  -5.795   6.241  -4.830
  140    HG   SER  17           HG       SER  17  -4.890   8.645  -4.942
  141    H    ASP  18           HN       ASP  18  -3.965   8.334  -1.928
  142    HA   ASP  18           HA       ASP  18  -1.149   8.102  -2.207
  143    HB2  ASP  18           HB2      ASP  18  -2.792   9.891  -0.410
  144    HB3  ASP  18           HB1      ASP  18  -1.058  10.041  -0.651
  145    H    GLU  19           HN       GLU  19  -3.411   7.034   0.157
  146    HA   GLU  19           HA       GLU  19  -1.528   6.623   2.269
  147    HB2  GLU  19           HB2      GLU  19  -4.034   6.896   2.536
  148    HB3  GLU  19           HB1      GLU  19  -4.205   5.272   1.895
  149    HG2  GLU  19           HG2      GLU  19  -3.051   4.342   3.754
  150    HG3  GLU  19           HG1      GLU  19  -2.616   5.942   4.355
  151    H    LEU  20           HN       LEU  20  -3.047   4.631  -0.225
  152    HA   LEU  20           HA       LEU  20  -1.697   2.232   0.294
  153    HB2  LEU  20           HB2      LEU  20  -3.509   2.192  -1.240
  154    HB3  LEU  20           HB1      LEU  20  -2.780   3.429  -2.248
  155    HG   LEU  20           HG       LEU  20  -0.988   1.826  -2.868
  156   HD11  LEU  20          HD11      LEU  20  -1.236  -0.523  -2.354
  157   HD12  LEU  20          HD12      LEU  20  -2.668  -0.181  -1.383
  158   HD13  LEU  20          HD13      LEU  20  -1.088   0.422  -0.872
  159   HD21  LEU  20          HD21      LEU  20  -2.289   0.544  -4.405
  160   HD22  LEU  20          HD22      LEU  20  -3.054   2.123  -4.230
  161   HD23  LEU  20          HD23      LEU  20  -3.731   0.718  -3.409
  162    H    GLN  21           HN       GLN  21  -0.811   4.982  -1.771
  163    HA   GLN  21           HA       GLN  21   1.594   3.927  -2.732
  164    HB2  GLN  21           HB2      GLN  21   0.703   6.773  -2.310
  165    HB3  GLN  21           HB1      GLN  21   2.231   6.356  -3.073
  166    HG2  GLN  21           HG2      GLN  21  -0.488   5.512  -4.052
  167    HG3  GLN  21           HG1      GLN  21   0.471   6.841  -4.703
  168   HE21  GLN  21          HE21      GLN  21   2.333   6.390  -5.872
  169   HE22  GLN  21          HE22      GLN  21   2.648   4.819  -6.531
  170    H    ARG  22           HN       ARG  22   0.972   5.962   0.126
  171    HA   ARG  22           HA       ARG  22   3.628   6.171   0.977
  172    HB2  ARG  22           HB2      ARG  22   1.770   7.495   1.944
  173    HB3  ARG  22           HB1      ARG  22   1.164   6.046   2.726
  174    HG2  ARG  22           HG2      ARG  22   3.224   5.867   4.017
  175    HG3  ARG  22           HG1      ARG  22   3.843   7.320   3.231
  176    HD2  ARG  22           HD2      ARG  22   1.997   8.616   4.172
  177    HD3  ARG  22           HD1      ARG  22   1.368   7.162   4.948
  178    HE   ARG  22           HE       ARG  22   3.990   7.433   5.793
  179   HH11  ARG  22          HH11      ARG  22   1.434   9.991   7.546
  180   HH12  ARG  22          HH12      ARG  22   1.012   9.253   6.034
  181   HH21  ARG  22          HH21      ARG  22   4.554   8.392   7.779
  182   HH22  ARG  22          HH22      ARG  22   3.455   9.494   8.545
  183    H    HIS  23           HN       HIS  23   1.133   3.808   1.892
  184    HA   HIS  23           HA       HIS  23   2.703   2.180   3.518
  185    HB2  HIS  23           HB2      HIS  23   0.401   1.720   3.569
  186    HB3  HIS  23           HB1      HIS  23   0.277   1.667   1.813
  187    HD1  HIS  23           HD1      HIS  23   0.996  -0.521   4.781
  188    HD2  HIS  23           HD2      HIS  23   1.125  -0.715   0.616
  189    HE1  HIS  23           HE1      HIS  23   1.422  -2.965   4.170
  190    H    LYS  24           HN       LYS  24   2.185   2.051   0.020
  191    HA   LYS  24           HA       LYS  24   3.531  -0.298  -0.558
  192    HB2  LYS  24           HB2      LYS  24   2.161   0.893  -2.181
  193    HB3  LYS  24           HB1      LYS  24   3.321   2.210  -2.227
  194    HG2  LYS  24           HG2      LYS  24   5.000   0.651  -3.140
  195    HG3  LYS  24           HG1      LYS  24   3.766  -0.612  -3.172
  196    HD2  LYS  24           HD2      LYS  24   3.563   2.030  -4.615
  197    HD3  LYS  24           HD1      LYS  24   4.086   0.518  -5.360
  198    HE2  LYS  24           HE2      LYS  24   1.927  -0.490  -4.907
  199    HE3  LYS  24           HE1      LYS  24   1.405   0.951  -4.035
  200    HZ1  LYS  24           HZ1      LYS  24   0.563   0.822  -6.334
  201    HZ2  LYS  24           HZ2      LYS  24   2.148   0.924  -6.907
  202    HZ3  LYS  24           HZ3      LYS  24   1.475   2.213  -6.038
  203    H    ARG  25           HN       ARG  25   4.821   2.877   0.138
  204    HA   ARG  25           HA       ARG  25   7.408   2.397  -0.929
  205    HB2  ARG  25           HB2      ARG  25   6.459   4.392   1.115
  206    HB3  ARG  25           HB1      ARG  25   8.082   4.376   0.439
  207    HG2  ARG  25           HG2      ARG  25   7.216   4.772  -1.771
  208    HG3  ARG  25           HG1      ARG  25   5.560   4.654  -1.179
  209    HD2  ARG  25           HD2      ARG  25   6.150   6.973  -1.461
  210    HD3  ARG  25           HD1      ARG  25   5.967   6.621   0.255
  211    HE   ARG  25           HE       ARG  25   8.674   6.344  -0.548
  212   HH11  ARG  25          HH11      ARG  25   6.225   8.744   0.131
  213   HH12  ARG  25          HH12      ARG  25   7.363   9.953   0.633
  214   HH21  ARG  25          HH21      ARG  25   9.616   9.488   0.621
  215   HH22  ARG  25          HH22      ARG  25  10.181   7.933   0.097
  216    H    THR  26           HN       THR  26   5.917   1.051   1.769
  217    HA   THR  26           HA       THR  26   8.278   0.658   3.344
  218    HB   THR  26           HB       THR  26   7.023  -1.124   4.491
  219    HG1  THR  26           HG1      THR  26   4.808  -0.524   2.813
  220   HG21  THR  26          HG21      THR  26   5.191   0.251   5.381
  221   HG22  THR  26          HG22      THR  26   5.397   1.381   4.043
  222   HG23  THR  26          HG23      THR  26   6.687   1.172   5.229
  223    H    HIS  27           HN       HIS  27   6.660  -1.013   0.726
  224    HA   HIS  27           HA       HIS  27   8.468  -3.258   0.769
  225    HB2  HIS  27           HB2      HIS  27   6.574  -2.424  -1.438
  226    HB3  HIS  27           HB1      HIS  27   7.337  -3.994  -1.249
  227    HD1  HIS  27           HD1      HIS  27   6.563  -5.090   1.356
  228    HD2  HIS  27           HD2      HIS  27   4.029  -2.528  -0.747
  229    HE1  HIS  27           HE1      HIS  27   4.206  -5.490   2.253
  230    H    THR  28           HN       THR  28   7.840  -0.522  -1.409
  231    HA   THR  28           HA       THR  28  10.597  -0.140  -1.967
  232    HB   THR  28           HB       THR  28  10.363  -2.126  -3.323
  233    HG1  THR  28           HG1      THR  28  11.527  -0.234  -4.175
  234   HG21  THR  28          HG21      THR  28   8.780  -2.229  -5.212
  235   HG22  THR  28          HG22      THR  28   8.063  -0.709  -4.676
  236   HG23  THR  28          HG23      THR  28   7.956  -2.144  -3.654
  237    H    GLY  29           HN       GLY  29  10.932   1.876  -2.719
  238    HA2  GLY  29           HA2      GLY  29   8.573   3.427  -3.548
  239    HA3  GLY  29           HA1      GLY  29  10.065   4.106  -2.913
  240    H    GLU  30           HN       GLU  30  11.731   2.352  -4.560
  241    HA   GLU  30           HA       GLU  30  11.086   2.847  -7.306
  242    HB2  GLU  30           HB2      GLU  30  11.951   5.078  -6.460
  243    HB3  GLU  30           HB1      GLU  30  13.492   4.284  -6.169
  244    HG2  GLU  30           HG2      GLU  30  13.667   3.744  -8.541
  245    HG3  GLU  30           HG1      GLU  30  12.120   4.534  -8.833
  246    H    LYS  31           HN       LYS  31  12.401   1.634  -8.685
  247    HA   LYS  31           HA       LYS  31  13.583  -0.200  -9.282
  248    HB2  LYS  31           HB2      LYS  31  15.488   1.283  -8.686
  249    HB3  LYS  31           HB1      LYS  31  15.439   0.654  -7.047
  250    HG2  LYS  31           HG2      LYS  31  17.217  -0.398  -8.307
  251    HG3  LYS  31           HG1      LYS  31  15.978  -1.583  -7.888
  252    HD2  LYS  31           HD2      LYS  31  15.031  -1.376 -10.142
  253    HD3  LYS  31           HD1      LYS  31  16.281  -0.202 -10.555
  254    HE2  LYS  31           HE2      LYS  31  17.998  -1.913 -10.125
  255    HE3  LYS  31           HE1      LYS  31  16.727  -3.081  -9.770
  256    HZ1  LYS  31           HZ1      LYS  31  17.153  -1.710 -12.369
  257    HZ2  LYS  31           HZ2      LYS  31  15.911  -2.806 -12.037
  258    HZ3  LYS  31           HZ3      LYS  31  17.520  -3.322 -12.025
  259    HN1  NH2  32           HN1      NH2  32  11.662  -1.263  -8.355
  260    HN2  NH2  32           HN2      NH2  32  11.889  -2.375  -7.049