*HEADER    DE NOVO PROTEIN                         20-JUL-18   6E5K              
*TITLE     HETEROGENEOUS-BACKBONE MIMICS OF A DESIGNED DISULFIDE-RICH PROTEIN:   
*TITLE    2 AIB TURN, AIB HELIX, N-METHYL HAIRPIN                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED PEPTIDE NC_HEE_D1: AIB TURN, AIB HELIX, N-METHYL  
*COMPND   3 HAIRPIN MUTANT;                                                      
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    HETEROGENEOUS BACKBONE FOLDAMER, DE NOVO PROTEIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    C.C.CABALTEJA,D.S.MIHALKO,W.S.HORNE                                   
*REVDAT   1   21-NOV-18 6E5K    0                                                
# Restraints file 1: unambig.tbl
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name  HB2) 1.612 0.325 0.325 weight 1.000 ! spec=NOESY, no=3, id=0, vol=3.200000e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HB2) 1.659 0.344 0.344 weight 1.000 ! spec=NOESY, no=4, id=1, vol=2.690000e+08
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HB2) 1.688 0.356 0.356 weight 1.000 ! spec=NOESY, no=5, id=2, vol=2.430000e+08
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HB2) 1.721 0.370 0.370 weight 1.000 ! spec=NOESY, no=6, id=3, vol=2.160000e+08
assign (segid "    " and resid   28 and name  HN1) (segid "    " and resid   28 and name  HN2) 1.738 0.377 0.377 weight 1.000 ! spec=NOESY, no=7, id=4, vol=2.040000e+08
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HB2) 1.748 0.382 0.382 weight 1.000 ! spec=NOESY, no=8, id=5, vol=1.970000e+08
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name  HB2) 1.752 0.384 0.384 weight 1.000 ! spec=NOESY, no=9, id=6, vol=1.940000e+08
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HB2) 1.769 0.391 0.391 weight 1.000 ! spec=NOESY, no=10, id=7, vol=1.830000e+08
assign (segid "    " and resid   13 and name  HA1) (segid "    " and resid   13 and name  HA2) 1.771 0.392 0.392 weight 1.000 ! spec=NOESY, no=11, id=8, vol=1.820000e+08
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name  HB2) 1.773 0.393 0.393 weight 1.000 ! spec=NOESY, no=12, id=9, vol=1.810000e+08
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name  HG2) 1.783 0.397 0.397 weight 1.000 ! spec=NOESY, no=13, id=10, vol=1.750000e+08
assign (segid "    " and resid    1 and name HD21) (segid "    " and resid    1 and name HD22) 1.811 0.410 0.410 weight 1.000 ! spec=NOESY, no=14, id=11, vol=1.590000e+08
assign (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HD2) 1.813 0.411 0.411 weight 1.000 ! spec=NOESY, no=15, id=12, vol=1.580000e+08
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HB2) 1.819 0.414 0.414 weight 1.000 ! spec=NOESY, no=16, id=13, vol=1.550000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HB2) 1.852 0.429 0.429 weight 1.000 ! spec=NOESY, no=17, id=14, vol=1.390000e+08
assign (segid "    " and resid   20 and name  HD1) (segid "    " and resid   20 and name  HD2) 1.868 0.436 0.436 weight 1.000 ! spec=NOESY, no=18, id=15, vol=1.320000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name  HM1) 1.938 0.469 0.469 weight 1.000 ! spec=NOESY, no=19, id=16, vol=1.060000e+08
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name  HM2)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name  HM3)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name  HM1) 1.958 0.479 0.479 weight 1.000 ! spec=NOESY, no=20, id=17, vol=9.970000e+07
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name  HM2)
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name  HM3)
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HB2) 1.972 0.486 0.486 weight 1.000 ! spec=NOESY, no=21, id=18, vol=9.550000e+07
    or (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HB1)
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HB2)
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HB1)
assign (segid "    " and resid   11 and name  HE1) (segid "    " and resid   11 and name  HD1) 1.984 0.492 0.492 weight 1.000 ! spec=NOESY, no=22, id=19, vol=9.200000e+07
    or (segid "    " and resid   11 and name  HE1) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name   HN) 2.021 0.511 0.511 weight 1.000 ! spec=NOESY, no=23, id=20, vol=8.230000e+07
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    7 and name  HB1) 2.040 0.520 0.520 weight 1.000 ! spec=NOESY, no=24, id=21, vol=7.800000e+07
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    7 and name  HB1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    7 and name  HB1)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HN) 2.040 0.520 0.520 weight 1.000 ! spec=NOESY, no=25, id=22, vol=7.790000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HG1) 2.048 0.524 0.524 weight 1.000 ! spec=NOESY, no=26, id=23, vol=7.610000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name  HG1)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name   HN) 2.078 0.540 0.540 weight 1.000 ! spec=NOESY, no=27, id=24, vol=6.970000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 2.079 0.540 0.540 weight 1.000 ! spec=NOESY, no=28, id=25, vol=6.960000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   18 and name   HN) 2.080 0.541 0.541 weight 1.000 ! spec=NOESY, no=29, id=26, vol=6.930000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name   HN) 2.132 0.568 0.568 weight 1.000 ! spec=NOESY, no=31, id=28, vol=5.970000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HN) 2.142 0.574 0.574 weight 1.000 ! spec=NOESY, no=32, id=29, vol=5.810000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name  HD2) 2.161 0.584 0.584 weight 1.000 ! spec=NOESY, no=33, id=30, vol=5.510000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name  HD2) 2.170 0.589 0.589 weight 1.000 ! spec=NOESY, no=34, id=31, vol=5.380000e+07
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG22) 2.195 0.602 0.602 weight 1.000 ! spec=NOESY, no=35, id=32, vol=5.020000e+07
    or (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   25 and name HG22) 2.201 0.605 0.605 weight 1.000 ! spec=NOESY, no=36, id=33, vol=4.940000e+07
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG12) 2.202 0.606 0.606 weight 1.000 ! spec=NOESY, no=37, id=34, vol=4.920000e+07
    or (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   16 and name   HB) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 2.232 0.623 0.623 weight 1.000 ! spec=NOESY, no=39, id=36, vol=4.540000e+07
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG12) 2.237 0.626 0.626 weight 1.000 ! spec=NOESY, no=40, id=37, vol=4.480000e+07
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid    9 and name HB12) (segid "    " and resid    9 and name   HN) 2.251 0.633 0.633 weight 1.000 ! spec=NOESY, no=42, id=39, vol=4.320000e+07
    or (segid "    " and resid    9 and name HB11) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name HB13) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name HB22) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name HB21) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name HB23) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.260 0.639 0.639 weight 1.000 ! spec=NOESY, no=44, id=41, vol=4.210000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    6 and name HB12) (segid "    " and resid    6 and name   HN) 2.265 0.641 0.641 weight 1.000 ! spec=NOESY, no=45, id=42, vol=4.160000e+07
    or (segid "    " and resid    6 and name HB11) (segid "    " and resid    6 and name   HN)
    or (segid "    " and resid    6 and name HB13) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG22) 2.268 0.643 0.643 weight 1.000 ! spec=NOESY, no=46, id=43, vol=4.130000e+07
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name  HD1) 2.268 0.643 0.643 weight 1.000 ! spec=NOESY, no=47, id=44, vol=4.120000e+07
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HB2) 2.270 0.644 0.644 weight 1.000 ! spec=NOESY, no=48, id=45, vol=4.100000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA) 2.272 0.645 0.645 weight 1.000 ! spec=NOESY, no=49, id=46, vol=4.080000e+07
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    5 and name  HD2) (segid "    " and resid    5 and name  HE2) 2.277 0.648 0.648 weight 1.000 ! spec=NOESY, no=50, id=47, vol=4.030000e+07
    or (segid "    " and resid    5 and name  HD2) (segid "    " and resid    5 and name  HE1)
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid    5 and name  HE2)
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid    5 and name  HE1)
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HN) 2.297 0.660 0.660 weight 1.000 ! spec=NOESY, no=51, id=48, vol=3.820000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.301 0.662 0.662 weight 1.000 ! spec=NOESY, no=52, id=49, vol=3.780000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB2) 2.304 0.664 0.664 weight 1.000 ! spec=NOESY, no=53, id=50, vol=3.750000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB1)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HN) 2.308 0.666 0.666 weight 1.000 ! spec=NOESY, no=54, id=51, vol=3.710000e+07
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    3 and name HB12) (segid "    " and resid    3 and name   HN) 2.324 0.675 0.675 weight 1.000 ! spec=NOESY, no=56, id=53, vol=3.560000e+07
    or (segid "    " and resid    3 and name HB11) (segid "    " and resid    3 and name   HN)
    or (segid "    " and resid    3 and name HB13) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB1) 2.328 0.677 0.677 weight 1.000 ! spec=NOESY, no=57, id=54, vol=3.530000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB2) 2.335 0.682 0.682 weight 1.000 ! spec=NOESY, no=58, id=55, vol=3.460000e+07
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB2) 2.337 0.682 0.682 weight 1.000 ! spec=NOESY, no=59, id=56, vol=3.450000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.340 0.684 0.684 weight 1.000 ! spec=NOESY, no=60, id=57, vol=3.420000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.341 0.685 0.685 weight 1.000 ! spec=NOESY, no=61, id=58, vol=3.410000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB2) 2.343 0.686 0.686 weight 1.000 ! spec=NOESY, no=62, id=59, vol=3.390000e+07
assign (segid "    " and resid   13 and name  HA1) (segid "    " and resid   13 and name   HN) 2.350 0.691 0.691 weight 1.000 ! spec=NOESY, no=64, id=61, vol=3.330000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB2) 2.353 0.692 0.692 weight 1.000 ! spec=NOESY, no=65, id=62, vol=3.310000e+07
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB1)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD1) 2.359 0.695 0.695 weight 1.000 ! spec=NOESY, no=67, id=64, vol=3.260000e+07
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name  HG2) 2.367 0.701 0.701 weight 1.000 ! spec=NOESY, no=68, id=65, vol=3.190000e+07
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 2.376 0.706 0.706 weight 1.000 ! spec=NOESY, no=69, id=66, vol=3.120000e+07
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HD1) 2.385 0.711 0.711 weight 1.000 ! spec=NOESY, no=70, id=67, vol=3.050000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   25 and name  HM1) (segid "    " and resid   25 and name HG12) 2.390 0.714 0.714 weight 1.000 ! spec=NOESY, no=71, id=68, vol=3.010000e+07
    or (segid "    " and resid   25 and name  HM1) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   25 and name  HM1) (segid "    " and resid   25 and name HG13)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   25 and name HG12)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   25 and name HG13)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   25 and name HG12)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HD1) 2.390 0.714 0.714 weight 1.000 ! spec=NOESY, no=72, id=69, vol=3.010000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG22) 2.392 0.715 0.715 weight 1.000 ! spec=NOESY, no=73, id=70, vol=3.000000e+07
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD1) 2.392 0.715 0.715 weight 1.000 ! spec=NOESY, no=74, id=71, vol=3.000000e+07
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HD1) 2.392 0.715 0.715 weight 1.000 ! spec=NOESY, no=75, id=72, vol=3.000000e+07
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name   HN) 2.394 0.717 0.717 weight 1.000 ! spec=NOESY, no=76, id=73, vol=2.980000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.397 0.718 0.718 weight 1.000 ! spec=NOESY, no=77, id=74, vol=2.960000e+07
assign (segid "    " and resid    8 and name  HD2) (segid "    " and resid    8 and name  HE2) 2.397 0.718 0.718 weight 1.000 ! spec=NOESY, no=78, id=75, vol=2.960000e+07
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid    8 and name  HE1)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid    8 and name  HE2)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid    8 and name  HE1)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG22) 2.405 0.723 0.723 weight 1.000 ! spec=NOESY, no=79, id=76, vol=2.900000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name  HB2) 2.412 0.727 0.727 weight 1.000 ! spec=NOESY, no=81, id=78, vol=2.850000e+07
    or (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name  HB1)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name   HN) 2.418 0.731 0.731 weight 1.000 ! spec=NOESY, no=82, id=79, vol=2.810000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB2) 2.418 0.731 0.731 weight 1.000 ! spec=NOESY, no=83, id=80, vol=2.810000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB2) 2.424 0.734 0.734 weight 1.000 ! spec=NOESY, no=84, id=81, vol=2.770000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB1) 2.427 0.736 0.736 weight 1.000 ! spec=NOESY, no=85, id=82, vol=2.750000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name   HN) 2.427 0.736 0.736 weight 1.000 ! spec=NOESY, no=86, id=83, vol=2.750000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG12) 2.431 0.739 0.739 weight 1.000 ! spec=NOESY, no=87, id=84, vol=2.720000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HD2) 2.431 0.739 0.739 weight 1.000 ! spec=NOESY, no=88, id=85, vol=2.720000e+07
    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  HD2)
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HD1)
assign (segid "    " and resid   16 and name  HM1) (segid "    " and resid   16 and name HG12) 2.436 0.741 0.741 weight 1.000 ! spec=NOESY, no=89, id=86, vol=2.690000e+07
    or (segid "    " and resid   16 and name  HM1) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   16 and name  HM1) (segid "    " and resid   16 and name HG13)
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   16 and name HG12)
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   16 and name HG13)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   16 and name HG12)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG22) 2.437 0.742 0.742 weight 1.000 ! spec=NOESY, no=90, id=87, vol=2.680000e+07
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   12 and name HB12) (segid "    " and resid   13 and name   HN) 2.437 0.742 0.742 weight 1.000 ! spec=NOESY, no=91, id=88, vol=2.680000e+07
    or (segid "    " and resid   12 and name HB11) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   12 and name HB13) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HN) 2.440 0.744 0.744 weight 1.000 ! spec=NOESY, no=92, id=89, vol=2.660000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name  HD1) 2.443 0.746 0.746 weight 1.000 ! spec=NOESY, no=93, id=90, vol=2.640000e+07
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HD2) 2.446 0.748 0.748 weight 1.000 ! spec=NOESY, no=94, id=91, vol=2.620000e+07
assign (segid "    " and resid    5 and name  HG1) (segid "    " and resid    5 and name  HB2) 2.446 0.748 0.748 weight 1.000 ! spec=NOESY, no=95, id=92, vol=2.620000e+07
    or (segid "    " and resid    5 and name  HG1) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   14 and name  HB2) 2.451 0.751 0.751 weight 1.000 ! spec=NOESY, no=96, id=93, vol=2.590000e+07
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   12 and name   HN) 2.453 0.752 0.752 weight 1.000 ! spec=NOESY, no=97, id=94, vol=2.580000e+07
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   12 and name   HN)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 2.462 0.758 0.758 weight 1.000 ! spec=NOESY, no=98, id=95, vol=2.520000e+07
assign (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name   HN) 2.462 0.758 0.758 weight 1.000 ! spec=NOESY, no=99, id=96, vol=2.520000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN) 2.464 0.759 0.759 weight 1.000 ! spec=NOESY, no=100, id=97, vol=2.510000e+07
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   23 and name  HD1) 2.464 0.759 0.759 weight 1.000 ! spec=NOESY, no=101, id=98, vol=2.510000e+07
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD1) 2.467 0.761 0.761 weight 1.000 ! spec=NOESY, no=102, id=99, vol=2.490000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB1) 2.472 0.764 0.764 weight 1.000 ! spec=NOESY, no=103, id=100, vol=2.460000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD22) 2.472 0.764 0.764 weight 1.000 ! spec=NOESY, no=104, id=101, vol=2.460000e+07
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name   HG) 2.475 0.766 0.766 weight 1.000 ! spec=NOESY, no=105, id=102, vol=2.440000e+07
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name   HG)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name   HG)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB2) 2.475 0.766 0.766 weight 1.000 ! spec=NOESY, no=106, id=103, vol=2.440000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB2) 2.477 0.767 0.767 weight 1.000 ! spec=NOESY, no=107, id=104, vol=2.430000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG12) 2.477 0.767 0.767 weight 1.000 ! spec=NOESY, no=108, id=105, vol=2.430000e+07
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid   13 and name  HA2) (segid "    " and resid   13 and name   HN) 2.484 0.771 0.771 weight 1.000 ! spec=NOESY, no=110, id=107, vol=2.390000e+07
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HN) 2.489 0.775 0.775 weight 1.000 ! spec=NOESY, no=111, id=108, vol=2.360000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name   HN) 2.493 0.777 0.777 weight 1.000 ! spec=NOESY, no=112, id=109, vol=2.340000e+07
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    8 and name   HN) 2.496 0.779 0.779 weight 1.000 ! spec=NOESY, no=113, id=110, vol=2.320000e+07
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name  HD2) 2.502 0.782 0.782 weight 1.000 ! spec=NOESY, no=114, id=111, vol=2.290000e+07
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HN) 2.502 0.782 0.782 weight 1.000 ! spec=NOESY, no=115, id=112, vol=2.290000e+07
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HN) 2.502 0.782 0.782 weight 1.000 ! spec=NOESY, no=116, id=113, vol=2.290000e+07
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HN) 2.507 0.786 0.786 weight 1.000 ! spec=NOESY, no=117, id=114, vol=2.260000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HN) 2.507 0.786 0.786 weight 1.000 ! spec=NOESY, no=118, id=115, vol=2.260000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name   HN) 2.509 0.787 0.787 weight 1.000 ! spec=NOESY, no=119, id=116, vol=2.250000e+07
assign (segid "    " and resid    9 and name HB12) (segid "    " and resid   10 and name   HN) 2.520 0.794 0.794 weight 1.000 ! spec=NOESY, no=121, id=118, vol=2.190000e+07
    or (segid "    " and resid    9 and name HB11) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid    9 and name HB13) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid    9 and name HB22) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid    9 and name HB21) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid    9 and name HB23) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   25 and name HG22) 2.530 0.800 0.800 weight 1.000 ! spec=NOESY, no=122, id=119, vol=2.140000e+07
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB1) 2.534 0.803 0.803 weight 1.000 ! spec=NOESY, no=123, id=120, vol=2.120000e+07
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name  HB2) 2.536 0.804 0.804 weight 1.000 ! spec=NOESY, no=124, id=121, vol=2.110000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.538 0.805 0.805 weight 1.000 ! spec=NOESY, no=125, id=122, vol=2.100000e+07
assign (segid "    " and resid    3 and name HB12) (segid "    " and resid    4 and name   HN) 2.538 0.805 0.805 weight 1.000 ! spec=NOESY, no=126, id=123, vol=2.100000e+07
    or (segid "    " and resid    3 and name HB11) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid    3 and name HB13) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   16 and name HG22) 2.546 0.810 0.810 weight 1.000 ! spec=NOESY, no=127, id=124, vol=2.060000e+07
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   16 and name HG12) 2.550 0.813 0.813 weight 1.000 ! spec=NOESY, no=128, id=125, vol=2.040000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name HG22) 2.563 0.821 0.821 weight 1.000 ! spec=NOESY, no=129, id=126, vol=1.980000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HD2) 2.565 0.823 0.823 weight 1.000 ! spec=NOESY, no=130, id=127, vol=1.970000e+07
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD1)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HN) 2.565 0.823 0.823 weight 1.000 ! spec=NOESY, no=131, id=128, vol=1.970000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB1) 2.570 0.825 0.825 weight 1.000 ! spec=NOESY, no=132, id=129, vol=1.950000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB2) 2.576 0.830 0.830 weight 1.000 ! spec=NOESY, no=133, id=130, vol=1.920000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HD2) 2.579 0.831 0.831 weight 1.000 ! spec=NOESY, no=134, id=131, vol=1.910000e+07
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   24 and name   HN) 2.581 0.833 0.833 weight 1.000 ! spec=NOESY, no=135, id=132, vol=1.900000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB1) 2.585 0.836 0.836 weight 1.000 ! spec=NOESY, no=136, id=133, vol=1.880000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB1) 2.585 0.836 0.836 weight 1.000 ! spec=NOESY, no=137, id=134, vol=1.880000e+07
assign (segid "    " and resid   12 and name HB12) (segid "    " and resid   12 and name   HN) 2.588 0.837 0.837 weight 1.000 ! spec=NOESY, no=138, id=135, vol=1.870000e+07
    or (segid "    " and resid   12 and name HB11) (segid "    " and resid   12 and name   HN)
    or (segid "    " and resid   12 and name HB13) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HN) 2.595 0.842 0.842 weight 1.000 ! spec=NOESY, no=139, id=136, vol=1.840000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   23 and name   HN) 2.599 0.845 0.845 weight 1.000 ! spec=NOESY, no=140, id=137, vol=1.820000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HA) 2.607 0.849 0.849 weight 1.000 ! spec=NOESY, no=141, id=138, vol=1.790000e+07
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name  HB1) 2.616 0.856 0.856 weight 1.000 ! spec=NOESY, no=142, id=139, vol=1.750000e+07
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name  HB1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name  HB1)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   11 and name  HD1) 2.619 0.857 0.857 weight 1.000 ! spec=NOESY, no=143, id=140, vol=1.740000e+07
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HN) 2.619 0.857 0.857 weight 1.000 ! spec=NOESY, no=144, id=141, vol=1.740000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG12) 2.621 0.859 0.859 weight 1.000 ! spec=NOESY, no=146, id=143, vol=1.730000e+07
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB2) 2.627 0.862 0.862 weight 1.000 ! spec=NOESY, no=147, id=144, vol=1.710000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HG2) 2.629 0.864 0.864 weight 1.000 ! spec=NOESY, no=149, id=146, vol=1.700000e+07
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   14 and name  HB1) 2.632 0.866 0.866 weight 1.000 ! spec=NOESY, no=150, id=147, vol=1.690000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 2.637 0.869 0.869 weight 1.000 ! spec=NOESY, no=151, id=148, vol=1.670000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   26 and name  HB1) 2.642 0.873 0.873 weight 1.000 ! spec=NOESY, no=152, id=149, vol=1.650000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   26 and name  HB1)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name  HM1) 2.642 0.873 0.873 weight 1.000 ! spec=NOESY, no=153, id=150, vol=1.650000e+07
    or (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name  HM2)
    or (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name  HM3)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2) 2.642 0.873 0.873 weight 1.000 ! spec=NOESY, no=154, id=151, vol=1.650000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB2) 2.645 0.874 0.874 weight 1.000 ! spec=NOESY, no=155, id=152, vol=1.640000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB1) 2.645 0.874 0.874 weight 1.000 ! spec=NOESY, no=156, id=153, vol=1.640000e+07
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   23 and name  HD1) 2.650 0.878 0.878 weight 1.000 ! spec=NOESY, no=158, id=155, vol=1.620000e+07
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HN) 2.650 0.878 0.878 weight 1.000 ! spec=NOESY, no=159, id=156, vol=1.620000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG2) 2.650 0.878 0.878 weight 1.000 ! spec=NOESY, no=160, id=157, vol=1.620000e+07
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG1)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=NOESY, no=161, id=158, vol=1.610000e+07
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   16 and name HG22) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=162, id=159, vol=1.570000e+07
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name   HN) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=163, id=160, vol=1.570000e+07
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HD2) 2.667 0.889 0.889 weight 1.000 ! spec=NOESY, no=164, id=161, vol=1.560000e+07
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HD1)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name   HN) 2.670 0.891 0.891 weight 1.000 ! spec=NOESY, no=165, id=162, vol=1.550000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name   HN) 2.676 0.895 0.895 weight 1.000 ! spec=NOESY, no=167, id=164, vol=1.530000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.676 0.895 0.895 weight 1.000 ! spec=NOESY, no=168, id=165, vol=1.530000e+07
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   11 and name  HD1) 2.676 0.895 0.895 weight 1.000 ! spec=NOESY, no=169, id=166, vol=1.530000e+07
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 2.685 0.901 0.901 weight 1.000 ! spec=NOESY, no=171, id=168, vol=1.500000e+07
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   11 and name  HE1) 2.688 0.903 0.903 weight 1.000 ! spec=NOESY, no=172, id=169, vol=1.490000e+07
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HN) 2.688 0.903 0.903 weight 1.000 ! spec=NOESY, no=173, id=170, vol=1.490000e+07
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   23 and name  HE1) 2.694 0.907 0.907 weight 1.000 ! spec=NOESY, no=174, id=171, vol=1.470000e+07
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.697 0.909 0.909 weight 1.000 ! spec=NOESY, no=175, id=172, vol=1.460000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name   HN) 2.700 0.911 0.911 weight 1.000 ! spec=NOESY, no=176, id=173, vol=1.450000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    6 and name   HN) 2.700 0.911 0.911 weight 1.000 ! spec=NOESY, no=177, id=174, vol=1.450000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name  HB2) 2.703 0.913 0.913 weight 1.000 ! spec=NOESY, no=178, id=175, vol=1.440000e+07
    or (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name  HN2) 2.703 0.913 0.913 weight 1.000 ! spec=NOESY, no=179, id=176, vol=1.440000e+07
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   13 and name   HN) 2.706 0.915 0.915 weight 1.000 ! spec=NOESY, no=180, id=177, vol=1.430000e+07
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HN) 2.706 0.915 0.915 weight 1.000 ! spec=NOESY, no=181, id=178, vol=1.430000e+07
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    7 and name   HG) 2.709 0.917 0.917 weight 1.000 ! spec=NOESY, no=182, id=179, vol=1.420000e+07
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    7 and name   HG)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    7 and name   HG)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   17 and name   HN) 2.719 0.924 0.924 weight 1.000 ! spec=NOESY, no=184, id=181, vol=1.390000e+07
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name   HN) 2.722 0.926 0.926 weight 1.000 ! spec=NOESY, no=185, id=182, vol=1.380000e+07
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HN) 2.722 0.926 0.926 weight 1.000 ! spec=NOESY, no=186, id=183, vol=1.380000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name  HB2) 2.722 0.926 0.926 weight 1.000 ! spec=NOESY, no=187, id=184, vol=1.380000e+07
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name  HB2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name  HB2)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB1) 2.725 0.928 0.928 weight 1.000 ! spec=NOESY, no=188, id=185, vol=1.370000e+07
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name  HD2) 2.725 0.928 0.928 weight 1.000 ! spec=NOESY, no=189, id=186, vol=1.370000e+07
    or (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name  HD1)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name   HN) 2.729 0.931 0.931 weight 1.000 ! spec=NOESY, no=190, id=187, vol=1.360000e+07
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name   HN) 2.732 0.933 0.933 weight 1.000 ! spec=NOESY, no=191, id=188, vol=1.350000e+07
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   26 and name   HN) 2.735 0.935 0.935 weight 1.000 ! spec=NOESY, no=192, id=189, vol=1.340000e+07
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.735 0.935 0.935 weight 1.000 ! spec=NOESY, no=194, id=191, vol=1.340000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name   HN) 2.739 0.938 0.938 weight 1.000 ! spec=NOESY, no=195, id=192, vol=1.330000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   25 and name HG22) 2.742 0.940 0.940 weight 1.000 ! spec=NOESY, no=196, id=193, vol=1.320000e+07
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HA) 2.742 0.940 0.940 weight 1.000 ! spec=NOESY, no=197, id=194, vol=1.320000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name   HN) 2.746 0.942 0.942 weight 1.000 ! spec=NOESY, no=199, id=196, vol=1.310000e+07
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   11 and name  HE1) 2.749 0.945 0.945 weight 1.000 ! spec=NOESY, no=200, id=197, vol=1.300000e+07
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HN) 2.749 0.945 0.945 weight 1.000 ! spec=NOESY, no=201, id=198, vol=1.300000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB1) 2.753 0.947 0.947 weight 1.000 ! spec=NOESY, no=202, id=199, vol=1.290000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG2) 2.753 0.947 0.947 weight 1.000 ! spec=NOESY, no=203, id=200, vol=1.290000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HN) 2.760 0.952 0.952 weight 1.000 ! spec=NOESY, no=206, id=203, vol=1.270000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    9 and name   HN) 2.764 0.955 0.955 weight 1.000 ! spec=NOESY, no=207, id=204, vol=1.260000e+07
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name   HN) 2.767 0.957 0.957 weight 1.000 ! spec=NOESY, no=208, id=205, vol=1.250000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name   HN) 2.767 0.957 0.957 weight 1.000 ! spec=NOESY, no=209, id=206, vol=1.250000e+07
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   22 and name   HN) 2.775 0.962 0.962 weight 1.000 ! spec=NOESY, no=210, id=207, vol=1.230000e+07
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD2) 2.775 0.962 0.962 weight 1.000 ! spec=NOESY, no=211, id=208, vol=1.230000e+07
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name  HD1) 2.782 0.968 0.968 weight 1.000 ! spec=NOESY, no=212, id=209, vol=1.210000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.786 0.970 0.970 weight 1.000 ! spec=NOESY, no=213, id=210, vol=1.200000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HB) 2.802 0.981 0.981 weight 1.000 ! spec=NOESY, no=214, id=211, vol=1.160000e+07
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name  HD2) 2.802 0.981 0.981 weight 1.000 ! spec=NOESY, no=215, id=212, vol=1.160000e+07
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name  HD1)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   16 and name HG22) 2.814 0.990 0.990 weight 1.000 ! spec=NOESY, no=217, id=214, vol=1.130000e+07
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN) 2.818 0.993 0.993 weight 1.000 ! spec=NOESY, no=218, id=215, vol=1.120000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HN) 2.818 0.993 0.993 weight 1.000 ! spec=NOESY, no=219, id=216, vol=1.120000e+07
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HD1) 2.827 0.999 0.999 weight 1.000 ! spec=NOESY, no=220, id=217, vol=1.100000e+07
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.827 0.999 0.999 weight 1.000 ! spec=NOESY, no=221, id=218, vol=1.100000e+07
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB1) 2.836 1.005 1.005 weight 1.000 ! spec=NOESY, no=223, id=220, vol=1.080000e+07
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HN) 2.836 1.005 1.005 weight 1.000 ! spec=NOESY, no=224, id=221, vol=1.080000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HB) 2.836 1.005 1.005 weight 1.000 ! spec=NOESY, no=225, id=222, vol=1.080000e+07
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid    7 and name  HB2) 2.836 1.005 1.005 weight 1.000 ! spec=NOESY, no=226, id=223, vol=1.080000e+07
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    7 and name  HB2)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    7 and name  HB2)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   19 and name   HN) 2.844 1.011 1.011 weight 1.000 ! spec=NOESY, no=228, id=225, vol=1.060000e+07
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   12 and name   HN) 2.844 1.011 1.011 weight 1.000 ! spec=NOESY, no=229, id=226, vol=1.060000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   24 and name   HN) 2.844 1.011 1.011 weight 1.000 ! spec=NOESY, no=230, id=227, vol=1.060000e+07
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HA) 2.844 1.011 1.011 weight 1.000 ! spec=NOESY, no=231, id=228, vol=1.060000e+07
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   22 and name   HN) 2.849 1.015 1.015 weight 1.000 ! spec=NOESY, no=232, id=229, vol=1.050000e+07
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   16 and name HG22) 2.854 1.018 1.018 weight 1.000 ! spec=NOESY, no=233, id=230, vol=1.040000e+07
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HA) 2.858 1.021 1.021 weight 1.000 ! spec=NOESY, no=234, id=231, vol=1.030000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HD1) 2.863 1.024 1.024 weight 1.000 ! spec=NOESY, no=235, id=232, vol=1.020000e+07
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    6 and name   HN) 2.863 1.024 1.024 weight 1.000 ! spec=NOESY, no=236, id=233, vol=1.020000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    8 and name   HN) 2.872 1.031 1.031 weight 1.000 ! spec=NOESY, no=238, id=235, vol=1.000000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   26 and name   HN) 2.874 1.032 1.032 weight 1.000 ! spec=NOESY, no=239, id=236, vol=9.970000e+06
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   23 and name  HB2) 2.874 1.032 1.032 weight 1.000 ! spec=NOESY, no=240, id=237, vol=9.970000e+06
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN) 2.878 1.036 1.036 weight 1.000 ! spec=NOESY, no=241, id=238, vol=9.870000e+06
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name  HD2) 2.878 1.036 1.036 weight 1.000 ! spec=NOESY, no=242, id=239, vol=9.870000e+06
    or (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name  HD1)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.882 1.039 1.039 weight 1.000 ! spec=NOESY, no=243, id=240, vol=9.790000e+06
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    7 and name  HB2) 2.883 1.039 1.039 weight 1.000 ! spec=NOESY, no=244, id=241, vol=9.770000e+06
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    7 and name  HB2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    7 and name  HB2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.884 1.040 1.040 weight 1.000 ! spec=NOESY, no=245, id=242, vol=9.760000e+06
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name   HA) 2.884 1.040 1.040 weight 1.000 ! spec=NOESY, no=246, id=243, vol=9.760000e+06
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HE1) 2.884 1.040 1.040 weight 1.000 ! spec=NOESY, no=247, id=244, vol=9.760000e+06
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN) 2.886 1.041 1.041 weight 1.000 ! spec=NOESY, no=248, id=245, vol=9.710000e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HG1) 2.889 1.043 1.043 weight 1.000 ! spec=NOESY, no=249, id=246, vol=9.660000e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HM1) 2.890 1.044 1.044 weight 1.000 ! spec=NOESY, no=250, id=247, vol=9.630000e+06
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HM2)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HM3)
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name   HN) 2.898 1.050 1.050 weight 1.000 ! spec=NOESY, no=252, id=249, vol=9.480000e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HG2) 2.908 1.057 1.057 weight 1.000 ! spec=NOESY, no=253, id=250, vol=9.280000e+06
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HN) 2.920 1.066 1.066 weight 1.000 ! spec=NOESY, no=255, id=252, vol=9.060000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HG1) 2.925 1.070 1.070 weight 1.000 ! spec=NOESY, no=257, id=254, vol=8.960000e+06
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   11 and name  HE1) 2.925 1.070 1.070 weight 1.000 ! spec=NOESY, no=258, id=255, vol=8.960000e+06
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   25 and name  HM1) 2.927 1.071 1.071 weight 1.000 ! spec=NOESY, no=259, id=256, vol=8.930000e+06
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   25 and name  HM2)
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   25 and name  HM3)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   25 and name  HM1)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   25 and name  HM2)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   25 and name  HM3)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HM1) 2.928 1.072 1.072 weight 1.000 ! spec=NOESY, no=260, id=257, vol=8.910000e+06
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HM2)
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HM3)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.930 1.073 1.073 weight 1.000 ! spec=NOESY, no=261, id=258, vol=8.870000e+06
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HN) 2.932 1.074 1.074 weight 1.000 ! spec=NOESY, no=262, id=259, vol=8.840000e+06
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HD1) 2.936 1.078 1.078 weight 1.000 ! spec=NOESY, no=263, id=260, vol=8.760000e+06
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.941 1.081 1.081 weight 1.000 ! spec=NOESY, no=264, id=261, vol=8.670000e+06
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HN) 2.942 1.082 1.082 weight 1.000 ! spec=NOESY, no=265, id=262, vol=8.650000e+06
assign (segid "    " and resid   13 and name  HA2) (segid "    " and resid   14 and name   HN) 2.942 1.082 1.082 weight 1.000 ! spec=NOESY, no=266, id=263, vol=8.650000e+06
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   16 and name HG12) 2.945 1.084 1.084 weight 1.000 ! spec=NOESY, no=267, id=264, vol=8.600000e+06
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HE1) 2.948 1.086 1.086 weight 1.000 ! spec=NOESY, no=268, id=265, vol=8.560000e+06
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   16 and name HG12) 2.956 1.092 1.092 weight 1.000 ! spec=NOESY, no=269, id=266, vol=8.420000e+06
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   16 and name HG13)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   16 and name HG12)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   16 and name HG13)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   16 and name HG12)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG22) 2.959 1.095 1.095 weight 1.000 ! spec=NOESY, no=270, id=267, vol=8.360000e+06
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   10 and name  HD2) (segid "    " and resid    7 and name   HA) 2.959 1.095 1.095 weight 1.000 ! spec=NOESY, no=271, id=268, vol=8.360000e+06
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HD1) 2.962 1.097 1.097 weight 1.000 ! spec=NOESY, no=272, id=269, vol=8.310000e+06
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   23 and name  HB1) 2.967 1.100 1.100 weight 1.000 ! spec=NOESY, no=274, id=271, vol=8.230000e+06
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HE1) 2.968 1.101 1.101 weight 1.000 ! spec=NOESY, no=275, id=272, vol=8.220000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   13 and name  HA1) (segid "    " and resid   14 and name   HN) 2.972 1.104 1.104 weight 1.000 ! spec=NOESY, no=276, id=273, vol=8.150000e+06
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   11 and name  HD1) 2.973 1.105 1.105 weight 1.000 ! spec=NOESY, no=277, id=274, vol=8.130000e+06
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   26 and name   HN) 2.974 1.106 1.106 weight 1.000 ! spec=NOESY, no=278, id=275, vol=8.110000e+06
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   16 and name   HB) 2.980 1.110 1.110 weight 1.000 ! spec=NOESY, no=280, id=277, vol=8.020000e+06
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HN) 2.985 1.114 1.114 weight 1.000 ! spec=NOESY, no=281, id=278, vol=7.940000e+06
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 2.992 1.119 1.119 weight 1.000 ! spec=NOESY, no=282, id=279, vol=7.830000e+06
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name  HE1) 2.995 1.121 1.121 weight 1.000 ! spec=NOESY, no=283, id=280, vol=7.780000e+06
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD12) 2.996 1.122 1.122 weight 1.000 ! spec=NOESY, no=284, id=281, vol=7.770000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   24 and name   HN) 2.996 1.122 1.122 weight 1.000 ! spec=NOESY, no=285, id=282, vol=7.760000e+06
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name  HB2) 2.998 1.123 1.123 weight 1.000 ! spec=NOESY, no=286, id=283, vol=7.740000e+06
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name   HN) 3.012 1.134 1.134 weight 1.000 ! spec=NOESY, no=290, id=286, vol=7.520000e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   26 and name   HN) 3.018 1.139 1.139 weight 1.000 ! spec=NOESY, no=291, id=287, vol=7.430000e+06
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   15 and name   HN) 3.019 1.140 1.140 weight 1.000 ! spec=NOESY, no=292, id=288, vol=7.410000e+06
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name  HM1) 3.024 1.143 1.143 weight 1.000 ! spec=NOESY, no=293, id=289, vol=7.340000e+06
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name  HM2)
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name  HM3)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN) 3.030 1.147 1.147 weight 1.000 ! spec=NOESY, no=294, id=290, vol=7.260000e+06
assign (segid "    " and resid   16 and name  HM1) (segid "    " and resid   16 and name HG22) 3.038 1.154 1.154 weight 1.000 ! spec=NOESY, no=296, id=292, vol=7.140000e+06
    or (segid "    " and resid   16 and name  HM1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   16 and name  HM1) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HD2) 3.041 1.156 1.156 weight 1.000 ! spec=NOESY, no=297, id=293, vol=7.100000e+06
assign (segid "    " and resid   10 and name  HD2) (segid "    " and resid   11 and name  HE1) 3.045 1.159 1.159 weight 1.000 ! spec=NOESY, no=298, id=294, vol=7.040000e+06
    or (segid "    " and resid   10 and name  HD2) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HD1) 3.047 1.160 1.160 weight 1.000 ! spec=NOESY, no=299, id=295, vol=7.020000e+06
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HD1) 3.050 1.162 1.162 weight 1.000 ! spec=NOESY, no=301, id=297, vol=6.980000e+06
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name  HD1) 3.063 1.173 1.173 weight 1.000 ! spec=NOESY, no=303, id=299, vol=6.800000e+06
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name   HN) 3.067 1.176 1.176 weight 1.000 ! spec=NOESY, no=304, id=300, vol=6.750000e+06
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HD1) 3.067 1.176 1.176 weight 1.000 ! spec=NOESY, no=305, id=301, vol=6.740000e+06
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   20 and name  HD1) (segid "    " and resid   19 and name   HN) 3.069 1.177 1.177 weight 1.000 ! spec=NOESY, no=306, id=302, vol=6.720000e+06
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   17 and name   HN) 3.070 1.178 1.178 weight 1.000 ! spec=NOESY, no=307, id=303, vol=6.700000e+06
assign (segid "    " and resid   10 and name  HD2) (segid "    " and resid    7 and name HD22) 3.074 1.181 1.181 weight 1.000 ! spec=NOESY, no=308, id=304, vol=6.660000e+06
    or (segid "    " and resid   10 and name  HD2) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   10 and name  HD2) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid   25 and name  HM1) (segid "    " and resid   25 and name HG22) 3.074 1.181 1.181 weight 1.000 ! spec=NOESY, no=309, id=305, vol=6.650000e+06
    or (segid "    " and resid   25 and name  HM1) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name  HM1) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   25 and name HG23)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   18 and name   HN) 3.081 1.187 1.187 weight 1.000 ! spec=NOESY, no=310, id=306, vol=6.560000e+06
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   24 and name   HN) 3.094 1.197 1.197 weight 1.000 ! spec=NOESY, no=312, id=308, vol=6.400000e+06
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   19 and name   HN) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY, no=313, id=309, vol=6.270000e+06
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name  HN1) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY, no=314, id=310, vol=6.260000e+06
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name   HN) 3.109 1.208 1.208 weight 1.000 ! spec=NOESY, no=315, id=311, vol=6.220000e+06
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   11 and name  HD1) 3.112 1.211 1.211 weight 1.000 ! spec=NOESY, no=318, id=314, vol=6.180000e+06
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name   HN) 3.116 1.214 1.214 weight 1.000 ! spec=NOESY, no=319, id=315, vol=6.130000e+06
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid    7 and name  HB2) 3.122 1.219 1.219 weight 1.000 ! spec=NOESY, no=320, id=316, vol=6.060000e+06
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid    7 and name  HB2)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid    7 and name  HB2)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name   HN) 3.127 1.223 1.223 weight 1.000 ! spec=NOESY, no=321, id=317, vol=6.000000e+06
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name   HN)
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   14 and name  HB2) 3.130 1.225 1.225 weight 1.000 ! spec=NOESY, no=322, id=318, vol=5.970000e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG12) 3.134 1.227 1.227 weight 1.000 ! spec=NOESY, no=323, id=319, vol=5.930000e+06
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG1) 3.135 1.229 1.229 weight 1.000 ! spec=NOESY, no=324, id=320, vol=5.910000e+06
assign (segid "    " and resid    5 and name  HG1) (segid "    " and resid    5 and name   HA) 3.143 1.235 1.235 weight 1.000 ! spec=NOESY, no=325, id=321, vol=5.820000e+06
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   23 and name   HN) 3.144 1.236 1.236 weight 1.000 ! spec=NOESY, no=326, id=322, vol=5.810000e+06
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name  HN2) 3.144 1.236 1.236 weight 1.000 ! spec=NOESY, no=327, id=323, vol=5.810000e+06
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    8 and name   HN) 3.150 1.240 1.240 weight 1.000 ! spec=NOESY, no=328, id=324, vol=5.750000e+06
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   23 and name  HE1) 3.151 1.241 1.241 weight 1.000 ! spec=NOESY, no=329, id=325, vol=5.740000e+06
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name   HE) 3.163 1.250 1.250 weight 1.000 ! spec=NOESY, no=331, id=327, vol=5.610000e+06
    or (segid "    " and resid   22 and name  HD1) (segid "    " and resid   22 and name   HE)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   24 and name   HN) 3.166 1.253 1.253 weight 1.000 ! spec=NOESY, no=333, id=329, vol=5.570000e+06
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   18 and name   HN) 3.168 1.255 1.255 weight 1.000 ! spec=NOESY, no=335, id=331, vol=5.550000e+06
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   18 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name  HB2) 3.174 1.259 1.259 weight 1.000 ! spec=NOESY, no=336, id=332, vol=5.490000e+06
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 3.176 1.261 1.261 weight 1.000 ! spec=NOESY, no=338, id=334, vol=5.470000e+06
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HG1) 3.178 1.262 1.262 weight 1.000 ! spec=NOESY, no=339, id=335, vol=5.450000e+06
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name   HN) 3.179 1.263 1.263 weight 1.000 ! spec=NOESY, no=340, id=336, vol=5.440000e+06
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HD1) 3.181 1.265 1.265 weight 1.000 ! spec=NOESY, no=341, id=337, vol=5.420000e+06
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name  HB2) 3.184 1.267 1.267 weight 1.000 ! spec=NOESY, no=342, id=338, vol=5.390000e+06
    or (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name  HB1)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    5 and name   HN) 3.191 1.273 1.273 weight 1.000 ! spec=NOESY, no=343, id=339, vol=5.320000e+06
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HE) 3.193 1.274 1.274 weight 1.000 ! spec=NOESY, no=344, id=340, vol=5.300000e+06
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HE)
assign (segid "    " and resid    9 and name HB12) (segid "    " and resid    8 and name   HA) 3.194 1.275 1.275 weight 1.000 ! spec=NOESY, no=345, id=341, vol=5.290000e+06
    or (segid "    " and resid    9 and name HB11) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid    9 and name HB13) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid    9 and name HB22) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid    9 and name HB21) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid    9 and name HB23) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name   HE) 3.202 1.282 1.282 weight 1.000 ! spec=NOESY, no=347, id=343, vol=5.210000e+06
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid    8 and name   HA) 3.205 1.284 1.284 weight 1.000 ! spec=NOESY, no=348, id=344, vol=5.180000e+06
assign (segid "    " and resid   25 and name  HM1) (segid "    " and resid   23 and name  HD1) 3.209 1.287 1.287 weight 1.000 ! spec=NOESY, no=349, id=345, vol=5.140000e+06
    or (segid "    " and resid   25 and name  HM1) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HN) 3.211 1.289 1.289 weight 1.000 ! spec=NOESY, no=350, id=346, vol=5.120000e+06
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name HG12) 3.214 1.292 1.292 weight 1.000 ! spec=NOESY, no=351, id=347, vol=5.090000e+06
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD12) 3.216 1.293 1.293 weight 1.000 ! spec=NOESY, no=352, id=348, vol=5.070000e+06
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid   12 and name HB12) (segid "    " and resid   14 and name   HN) 3.219 1.295 1.295 weight 1.000 ! spec=NOESY, no=353, id=349, vol=5.050000e+06
    or (segid "    " and resid   12 and name HB11) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   12 and name HB13) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HD2) 3.219 1.295 1.295 weight 1.000 ! spec=NOESY, no=354, id=350, vol=5.050000e+06
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name HG22) 3.220 1.296 1.296 weight 1.000 ! spec=NOESY, no=355, id=351, vol=5.040000e+06
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   13 and name   HN) 3.221 1.297 1.297 weight 1.000 ! spec=NOESY, no=356, id=352, vol=5.030000e+06
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   24 and name   HN) 3.223 1.298 1.298 weight 1.000 ! spec=NOESY, no=357, id=353, vol=5.010000e+06
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HD1) 3.232 1.305 1.305 weight 1.000 ! spec=NOESY, no=358, id=354, vol=4.930000e+06
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD12) 3.238 1.311 1.311 weight 1.000 ! spec=NOESY, no=360, id=356, vol=4.870000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid   16 and name  HM1) (segid "    " and resid    8 and name   HA) 3.245 1.316 1.316 weight 1.000 ! spec=NOESY, no=361, id=357, vol=4.810000e+06
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name   HN) 3.248 1.319 1.319 weight 1.000 ! spec=NOESY, no=362, id=358, vol=4.780000e+06
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   23 and name  HE1) 3.249 1.320 1.320 weight 1.000 ! spec=NOESY, no=363, id=359, vol=4.770000e+06
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name   HN) 3.257 1.326 1.326 weight 1.000 ! spec=NOESY, no=368, id=364, vol=4.700000e+06
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   26 and name   HN) 3.257 1.326 1.326 weight 1.000 ! spec=NOESY, no=369, id=365, vol=4.700000e+06
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   18 and name  HB1) 3.260 1.328 1.328 weight 1.000 ! spec=NOESY, no=371, id=367, vol=4.680000e+06
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name   HN) 3.260 1.328 1.328 weight 1.000 ! spec=NOESY, no=372, id=368, vol=4.680000e+06
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    7 and name   HN) 3.264 1.332 1.332 weight 1.000 ! spec=NOESY, no=373, id=369, vol=4.640000e+06
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name  HD2) 3.269 1.336 1.336 weight 1.000 ! spec=NOESY, no=374, id=370, vol=4.600000e+06
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name   HN) 3.269 1.336 1.336 weight 1.000 ! spec=NOESY, no=375, id=371, vol=4.600000e+06
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   14 and name   HN) 3.276 1.342 1.342 weight 1.000 ! spec=NOESY, no=378, id=374, vol=4.540000e+06
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG12) 3.280 1.345 1.345 weight 1.000 ! spec=NOESY, no=379, id=375, vol=4.510000e+06
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG13)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG12)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HN) 3.286 1.350 1.350 weight 1.000 ! spec=NOESY, no=380, id=376, vol=4.460000e+06
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   23 and name  HD1) 3.288 1.352 1.352 weight 1.000 ! spec=NOESY, no=381, id=377, vol=4.440000e+06
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    5 and name   HN) 3.292 1.355 1.355 weight 1.000 ! spec=NOESY, no=382, id=378, vol=4.410000e+06
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   15 and name   HN) 3.293 1.356 1.356 weight 1.000 ! spec=NOESY, no=383, id=379, vol=4.400000e+06
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   11 and name  HE1) 3.296 1.358 1.358 weight 1.000 ! spec=NOESY, no=384, id=380, vol=4.380000e+06
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   11 and name  HD1) 3.297 1.359 1.359 weight 1.000 ! spec=NOESY, no=385, id=381, vol=4.370000e+06
    or (segid "    " and resid   10 and name  HG2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HD2) 3.298 1.360 1.360 weight 1.000 ! spec=NOESY, no=387, id=383, vol=4.360000e+06
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HD1) 3.301 1.362 1.362 weight 1.000 ! spec=NOESY, no=389, id=385, vol=4.340000e+06
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   27 and name   HN) 3.301 1.362 1.362 weight 1.000 ! spec=NOESY, no=390, id=386, vol=4.340000e+06
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HD2) 3.305 1.365 1.365 weight 1.000 ! spec=NOESY, no=391, id=387, vol=4.310000e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG22) 3.319 1.377 1.377 weight 1.000 ! spec=NOESY, no=394, id=389, vol=4.200000e+06
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   11 and name  HD1) 3.320 1.378 1.378 weight 1.000 ! spec=NOESY, no=395, id=390, vol=4.190000e+06
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   16 and name HG22) 3.320 1.378 1.378 weight 1.000 ! spec=NOESY, no=398, id=393, vol=4.190000e+06
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   14 and name   HN) 3.323 1.380 1.380 weight 1.000 ! spec=NOESY, no=399, id=394, vol=4.170000e+06
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name HD22) 3.326 1.382 1.382 weight 1.000 ! spec=NOESY, no=400, id=395, vol=4.150000e+06
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name HD22)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    7 and name   HN) 3.328 1.385 1.385 weight 1.000 ! spec=NOESY, no=401, id=396, vol=4.130000e+06
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid    8 and name   HA) 3.348 1.401 1.401 weight 1.000 ! spec=NOESY, no=403, id=398, vol=3.990000e+06
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   27 and name   HN) 3.348 1.401 1.401 weight 1.000 ! spec=NOESY, no=404, id=399, vol=3.990000e+06
assign (segid "    " and resid   10 and name  HD2) (segid "    " and resid   10 and name   HE) 3.349 1.402 1.402 weight 1.000 ! spec=NOESY, no=405, id=400, vol=3.980000e+06
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid   10 and name   HE)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name   HN) 3.363 1.414 1.414 weight 1.000 ! spec=NOESY, no=406, id=401, vol=3.880000e+06
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   10 and name   HN) 3.369 1.419 1.419 weight 1.000 ! spec=NOESY, no=407, id=402, vol=3.840000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name HG12) 3.370 1.420 1.420 weight 1.000 ! spec=NOESY, no=408, id=403, vol=3.830000e+06
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid    9 and name HB12) (segid "    " and resid   13 and name   HN) 3.373 1.422 1.422 weight 1.000 ! spec=NOESY, no=409, id=404, vol=3.810000e+06
    or (segid "    " and resid    9 and name HB11) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid    9 and name HB13) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid    9 and name HB22) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid    9 and name HB21) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid    9 and name HB23) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name   HN) 3.378 1.426 1.426 weight 1.000 ! spec=NOESY, no=410, id=405, vol=3.780000e+06
assign (segid "    " and resid   21 and name  HD1) (segid "    " and resid   22 and name   HN) 3.379 1.427 1.427 weight 1.000 ! spec=NOESY, no=411, id=406, vol=3.770000e+06
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   11 and name  HD1) 3.382 1.430 1.430 weight 1.000 ! spec=NOESY, no=412, id=407, vol=3.750000e+06
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   18 and name   HN) 3.390 1.436 1.436 weight 1.000 ! spec=NOESY, no=414, id=409, vol=3.700000e+06
assign (segid "    " and resid   25 and name  HM1) (segid "    " and resid   23 and name  HE1) 3.391 1.438 1.438 weight 1.000 ! spec=NOESY, no=415, id=410, vol=3.690000e+06
    or (segid "    " and resid   25 and name  HM1) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   11 and name  HD1) 3.391 1.438 1.438 weight 1.000 ! spec=NOESY, no=416, id=411, vol=3.690000e+06
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   22 and name   HN) 3.398 1.443 1.443 weight 1.000 ! spec=NOESY, no=417, id=412, vol=3.650000e+06
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name  HN1) 3.398 1.443 1.443 weight 1.000 ! spec=NOESY, no=418, id=413, vol=3.650000e+06
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name   HN) 3.404 1.448 1.448 weight 1.000 ! spec=NOESY, no=420, id=415, vol=3.610000e+06
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name   HE) 3.407 1.451 1.451 weight 1.000 ! spec=NOESY, no=421, id=416, vol=3.590000e+06
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HE) 3.407 1.451 1.451 weight 1.000 ! spec=NOESY, no=422, id=417, vol=3.590000e+06
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name HG12) 3.415 1.458 1.458 weight 1.000 ! spec=NOESY, no=423, id=418, vol=3.540000e+06
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   16 and name HG22) 3.417 1.459 1.459 weight 1.000 ! spec=NOESY, no=424, id=419, vol=3.530000e+06
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   26 and name   HN) 3.423 1.465 1.465 weight 1.000 ! spec=NOESY, no=426, id=421, vol=3.490000e+06
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HE1) 3.428 1.469 1.469 weight 1.000 ! spec=NOESY, no=428, id=422, vol=3.460000e+06
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name   HA) 3.431 1.472 1.472 weight 1.000 ! spec=NOESY, no=429, id=423, vol=3.440000e+06
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    5 and name  HE2) 3.431 1.472 1.472 weight 1.000 ! spec=NOESY, no=430, id=424, vol=3.440000e+06
    or (segid "    " and resid    1 and name   HA) (segid "    " and resid    5 and name  HE1)
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name   HE) 3.441 1.480 1.480 weight 1.000 ! spec=NOESY, no=431, id=425, vol=3.380000e+06
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   16 and name HG22) 3.443 1.482 1.482 weight 1.000 ! spec=NOESY, no=432, id=426, vol=3.370000e+06
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   26 and name  HD2) 3.446 1.485 1.485 weight 1.000 ! spec=NOESY, no=433, id=427, vol=3.350000e+06
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   27 and name   HN) 3.455 1.492 1.492 weight 1.000 ! spec=NOESY, no=434, id=428, vol=3.300000e+06
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   26 and name  HD2) 3.457 1.494 1.494 weight 1.000 ! spec=NOESY, no=435, id=429, vol=3.290000e+06
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HE1) 3.459 1.495 1.495 weight 1.000 ! spec=NOESY, no=436, id=430, vol=3.280000e+06
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   18 and name   HN) 3.460 1.497 1.497 weight 1.000 ! spec=NOESY, no=437, id=431, vol=3.270000e+06
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   18 and name   HN)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   17 and name   HN) 3.462 1.498 1.498 weight 1.000 ! spec=NOESY, no=438, id=432, vol=3.260000e+06
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   25 and name HG12) 3.466 1.501 1.501 weight 1.000 ! spec=NOESY, no=439, id=433, vol=3.240000e+06
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   17 and name   HN) 3.469 1.505 1.505 weight 1.000 ! spec=NOESY, no=440, id=434, vol=3.220000e+06
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name   HN) 3.477 1.511 1.511 weight 1.000 ! spec=NOESY, no=443, id=437, vol=3.180000e+06
assign (segid "    " and resid   16 and name  HM1) (segid "    " and resid   17 and name   HN) 3.477 1.511 1.511 weight 1.000 ! spec=NOESY, no=444, id=438, vol=3.180000e+06
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD22) 3.478 1.512 1.512 weight 1.000 ! spec=NOESY, no=445, id=439, vol=3.170000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HD1) 3.497 1.529 1.529 weight 1.000 ! spec=NOESY, no=447, id=441, vol=3.070000e+06
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HE1) 3.509 1.539 1.539 weight 1.000 ! spec=NOESY, no=448, id=442, vol=3.010000e+06
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    4 and name   HN) 3.514 1.544 1.544 weight 1.000 ! spec=NOESY, no=449, id=443, vol=2.980000e+06
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HE1) 3.526 1.554 1.554 weight 1.000 ! spec=NOESY, no=451, id=445, vol=2.920000e+06
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name  HG2) 3.555 1.580 1.580 weight 1.000 ! spec=NOESY, no=452, id=446, vol=2.780000e+06
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   14 and name   HN) 3.564 1.588 1.588 weight 1.000 ! spec=NOESY, no=453, id=447, vol=2.740000e+06
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   27 and name   HN) 3.566 1.590 1.590 weight 1.000 ! spec=NOESY, no=454, id=448, vol=2.730000e+06
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   27 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   27 and name   HN)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   24 and name   HN) 3.568 1.592 1.592 weight 1.000 ! spec=NOESY, no=456, id=450, vol=2.720000e+06
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HE) 3.577 1.599 1.599 weight 1.000 ! spec=NOESY, no=457, id=451, vol=2.680000e+06
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HE1) 3.586 1.607 1.607 weight 1.000 ! spec=NOESY, no=458, id=452, vol=2.640000e+06
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG22) 3.588 1.610 1.610 weight 1.000 ! spec=NOESY, no=459, id=453, vol=2.630000e+06
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   25 and name  HM1) (segid "    " and resid   24 and name   HN) 3.597 1.618 1.618 weight 1.000 ! spec=NOESY, no=461, id=454, vol=2.590000e+06
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   16 and name HG22) 3.600 1.620 1.620 weight 1.000 ! spec=NOESY, no=462, id=455, vol=2.580000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   16 and name HG22) 3.607 1.626 1.626 weight 1.000 ! spec=NOESY, no=463, id=456, vol=2.550000e+06
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   23 and name  HD1) 3.612 1.630 1.630 weight 1.000 ! spec=NOESY, no=464, id=457, vol=2.530000e+06
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HD1) 3.621 1.639 1.639 weight 1.000 ! spec=NOESY, no=465, id=458, vol=2.490000e+06
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   26 and name  HD2) 3.621 1.639 1.639 weight 1.000 ! spec=NOESY, no=466, id=459, vol=2.490000e+06
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   23 and name  HD1) 3.638 1.655 1.655 weight 1.000 ! spec=NOESY, no=470, id=463, vol=2.420000e+06
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HE) 3.641 1.657 1.657 weight 1.000 ! spec=NOESY, no=471, id=464, vol=2.410000e+06
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   16 and name HG22) 3.643 1.659 1.659 weight 1.000 ! spec=NOESY, no=472, id=465, vol=2.400000e+06
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   15 and name   HN) 3.646 1.662 1.662 weight 1.000 ! spec=NOESY, no=473, id=466, vol=2.390000e+06
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   15 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   17 and name   HN) 3.651 1.666 1.666 weight 1.000 ! spec=NOESY, no=474, id=467, vol=2.370000e+06
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   18 and name   HN) 3.664 1.678 1.678 weight 1.000 ! spec=NOESY, no=477, id=470, vol=2.320000e+06
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   14 and name   HN) 3.669 1.683 1.683 weight 1.000 ! spec=NOESY, no=478, id=471, vol=2.300000e+06
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HD2) 3.672 1.686 1.686 weight 1.000 ! spec=NOESY, no=479, id=472, vol=2.290000e+06
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HE1) 3.675 1.688 1.688 weight 1.000 ! spec=NOESY, no=482, id=475, vol=2.280000e+06
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   17 and name   HE) 3.697 1.708 1.708 weight 1.000 ! spec=NOESY, no=483, id=476, vol=2.200000e+06
    or (segid "    " and resid   17 and name  HD1) (segid "    " and resid   17 and name   HE)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   23 and name  HD1) 3.702 1.713 1.713 weight 1.000 ! spec=NOESY, no=485, id=478, vol=2.180000e+06
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    5 and name   HN) 3.720 1.729 1.729 weight 1.000 ! spec=NOESY, no=486, id=479, vol=2.120000e+06
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   27 and name   HN) 3.720 1.729 1.729 weight 1.000 ! spec=NOESY, no=487, id=480, vol=2.120000e+06
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   15 and name   HN) 3.731 1.740 1.740 weight 1.000 ! spec=NOESY, no=488, id=481, vol=2.080000e+06
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   15 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   26 and name  HD2) 3.731 1.740 1.740 weight 1.000 ! spec=NOESY, no=489, id=482, vol=2.080000e+06
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   24 and name   HN) 3.734 1.743 1.743 weight 1.000 ! spec=NOESY, no=491, id=484, vol=2.070000e+06
assign (segid "    " and resid   16 and name  HM1) (segid "    " and resid    8 and name   HN) 3.740 1.749 1.749 weight 1.000 ! spec=NOESY, no=492, id=485, vol=2.050000e+06
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   28 and name  HN2) 3.750 1.757 1.757 weight 1.000 ! spec=NOESY, no=494, id=487, vol=2.020000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HB) 3.753 1.760 1.760 weight 1.000 ! spec=NOESY, no=495, id=488, vol=2.010000e+06
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   12 and name   HN) 3.759 1.766 1.766 weight 1.000 ! spec=NOESY, no=496, id=489, vol=1.990000e+06
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HE1) 3.762 1.769 1.769 weight 1.000 ! spec=NOESY, no=497, id=490, vol=1.980000e+06
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   24 and name   HN) 3.772 1.778 1.778 weight 1.000 ! spec=NOESY, no=499, id=492, vol=1.950000e+06
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   28 and name  HN2) 3.785 1.791 1.791 weight 1.000 ! spec=NOESY, no=500, id=493, vol=1.910000e+06
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    5 and name   HN) 3.785 1.791 1.791 weight 1.000 ! spec=NOESY, no=502, id=495, vol=1.910000e+06
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   17 and name   HN) 3.802 1.807 1.807 weight 1.000 ! spec=NOESY, no=503, id=496, vol=1.860000e+06
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    8 and name   HN) 3.815 1.820 1.820 weight 1.000 ! spec=NOESY, no=505, id=498, vol=1.820000e+06
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   10 and name   HN) 3.822 1.826 1.826 weight 1.000 ! spec=NOESY, no=506, id=499, vol=1.800000e+06
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   10 and name   HN) 3.830 1.833 1.833 weight 1.000 ! spec=NOESY, no=507, id=500, vol=1.780000e+06
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    6 and name   HN) 3.830 1.833 1.833 weight 1.000 ! spec=NOESY, no=508, id=501, vol=1.780000e+06
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   12 and name   HN) 3.851 1.854 1.854 weight 1.000 ! spec=NOESY, no=509, id=502, vol=1.720000e+06
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HN) 3.863 1.865 1.865 weight 1.000 ! spec=NOESY, no=510, id=503, vol=1.690000e+06
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    3 and name   HN) 3.878 1.880 1.880 weight 1.000 ! spec=NOESY, no=511, id=504, vol=1.650000e+06
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid    7 and name HD22) 3.898 1.899 1.899 weight 1.000 ! spec=NOESY, no=513, id=506, vol=1.600000e+06
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   12 and name   HN) 3.906 1.907 1.907 weight 1.000 ! spec=NOESY, no=514, id=507, vol=1.580000e+06
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid    8 and name   HN) 3.932 1.932 1.932 weight 1.000 ! spec=NOESY, no=518, id=511, vol=1.520000e+06
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid    8 and name   HN) 3.972 1.972 1.972 weight 1.000 ! spec=NOESY, no=520, id=513, vol=1.430000e+06
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid    7 and name   HN) 3.995 1.995 1.995 weight 1.000 ! spec=NOESY, no=521, id=514, vol=1.380000e+06
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   23 and name  HD1) 4.030 2.030 2.030 weight 1.000 ! spec=NOESY, no=524, id=517, vol=1.310000e+06
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   11 and name  HE1) 4.107 2.108 2.108 weight 1.000 ! spec=NOESY, no=525, id=518, vol=1.170000e+06
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   11 and name  HE2)
# Restraints file 2: wsh2006_hbonds_v2.tbl
!helix
assign  (resid 6 and name HN )  (resid 2 and name O )  1.9 0.1 0.1        
assign  (resid 6 and name N )  (resid 2 and name O )   2.9 0.2 0.2 
assign  (resid 7 and name HN )  (resid 3 and name O )  1.9 0.1 0.1        
assign  (resid 7 and name N )  (resid 3 and name O )   2.9 0.2 0.2 
assign  (resid 8 and name HN )  (resid 4 and name O )  1.9 0.1 0.1        
assign  (resid 8 and name N )  (resid 4 and name O )   2.9 0.2 0.2 
assign  (resid 9 and name HN )  (resid 5 and name O )  1.9 0.1 0.1        
assign  (resid 9 and name N )  (resid 5 and name O )   2.9 0.2 0.2 
assign  (resid 10 and name HN )  (resid 6 and name O )  1.9 0.1 0.1        
assign  (resid 10 and name N )  (resid 6 and name O )   2.9 0.2 0.2 
assign  (resid 11 and name HN )  (resid 7 and name O )  1.9 0.1 0.1        
assign  (resid 11 and name N )  (resid 7 and name O )   2.9 0.2 0.2 
!helix to hairpin turn
assign  (resid 14 and name HN )  (resid 11 and name O )  1.9 0.1 0.1        
assign  (resid 14 and name N )  (resid 11 and name O )   2.9 0.2 0.2 
!hairpin
assign  (resid 22 and name HN )  (resid 19 and name O )  1.9 0.1 0.1        
assign  (resid 22 and name N )  (resid 19 and name O )   2.9 0.2 0.2 
assign  (resid 19 and name HN )  (resid 22 and name O )  1.9 0.1 0.1        
assign  (resid 19 and name N )  (resid 22 and name O )   2.9 0.2 0.2 
assign  (resid 24 and name HN )  (resid 17 and name O )  1.9 0.1 0.1        
assign  (resid 24 and name N )  (resid 17 and name O )   2.9 0.2 0.2 
assign  (resid 17 and name HN )  (resid 24 and name O )  1.9 0.1 0.1        
assign  (resid 17 and name N )  (resid 24 and name O )   2.9 0.2 0.2 
assign  (resid 26 and name HN )  (resid 15 and name O )  1.9 0.1 0.1       
assign  (resid 26 and name N )  (resid 15 and name O )   2.9 0.2 0.2  
assign  (resid 15 and name HN )  (resid 26 and name O )  1.9 0.1 0.1       
assign  (resid 15 and name N )  (resid 26 and name O )   2.9 0.2 0.2  

# Restraints file 3: ambig.tbl
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HA) 2.212 0.612 0.612 weight 1.000 ! spec=NOESY, no=38, id=35, vol=4.790000e+07
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HA)
assign (segid "    " and resid    6 and name HB12) (segid "    " and resid    7 and name   HA) 2.243 0.629 0.629 weight 1.000 ! spec=NOESY, no=41, id=38, vol=4.410000e+07
    or (segid "    " and resid    6 and name HB11) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid    6 and name HB13) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid    6 and name HB22) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid    6 and name HB21) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid    6 and name HB23) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid    9 and name HB12) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid    9 and name HB11) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid    9 and name HB13) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid    9 and name HB22) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid    9 and name HB21) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid    9 and name HB23) (segid "    " and resid   10 and name   HA)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    5 and name   HA) 2.323 0.675 0.675 weight 1.000 ! spec=NOESY, no=55, id=52, vol=3.570000e+07
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    5 and name   HA)
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HA)
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name   HA) 2.349 0.690 0.690 weight 1.000 ! spec=NOESY, no=63, id=60, vol=3.340000e+07
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HA)
assign (segid "    " and resid    3 and name HB12) (segid "    " and resid    7 and name   HN) 2.356 0.694 0.694 weight 1.000 ! spec=NOESY, no=66, id=63, vol=3.280000e+07
    or (segid "    " and resid    3 and name HB11) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    3 and name HB13) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    6 and name HB22) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    6 and name HB21) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    6 and name HB23) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid    5 and name  HG1) (segid "    " and resid    5 and name  HB2) 2.411 0.726 0.726 weight 1.000 ! spec=NOESY, no=80, id=77, vol=2.860000e+07
    or (segid "    " and resid    5 and name  HG1) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name  HB2)
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name  HB1)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name   HN) 2.513 0.789 0.789 weight 1.000 ! spec=NOESY, no=120, id=117, vol=2.230000e+07
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name   HN) 2.619 0.857 0.857 weight 1.000 ! spec=NOESY, no=145, id=142, vol=1.740000e+07
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HN) 2.627 0.862 0.862 weight 1.000 ! spec=NOESY, no=148, id=145, vol=1.710000e+07
    or (segid "    " and resid   16 and name  HM1) (segid "    " and resid   18 and name   HN)
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   18 and name   HN)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name   HN) 2.676 0.895 0.895 weight 1.000 ! spec=NOESY, no=166, id=163, vol=1.530000e+07
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid    9 and name HB12) (segid "    " and resid    8 and name  HB2) 2.676 0.895 0.895 weight 1.000 ! spec=NOESY, no=170, id=167, vol=1.530000e+07
    or (segid "    " and resid    9 and name HB12) (segid "    " and resid    8 and name  HB1)
    or (segid "    " and resid    9 and name HB11) (segid "    " and resid    8 and name  HB2)
    or (segid "    " and resid    9 and name HB11) (segid "    " and resid    8 and name  HB1)
    or (segid "    " and resid    9 and name HB13) (segid "    " and resid    8 and name  HB2)
    or (segid "    " and resid    9 and name HB13) (segid "    " and resid    8 and name  HB1)
    or (segid "    " and resid    9 and name HB22) (segid "    " and resid    8 and name  HB2)
    or (segid "    " and resid    9 and name HB22) (segid "    " and resid    8 and name  HB1)
    or (segid "    " and resid    9 and name HB21) (segid "    " and resid    8 and name  HB2)
    or (segid "    " and resid    9 and name HB21) (segid "    " and resid    8 and name  HB1)
    or (segid "    " and resid    9 and name HB23) (segid "    " and resid    8 and name  HB2)
    or (segid "    " and resid    9 and name HB23) (segid "    " and resid    8 and name  HB1)
    or (segid "    " and resid    6 and name HB12) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid    6 and name HB12) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid    6 and name HB11) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid    6 and name HB11) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid    6 and name HB13) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid    6 and name HB13) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid    6 and name HB22) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid    6 and name HB22) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid    6 and name HB21) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid    6 and name HB21) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid    6 and name HB23) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid    6 and name HB23) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    8 and name   HN) 2.712 0.920 0.920 weight 1.000 ! spec=NOESY, no=183, id=180, vol=1.410000e+07
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name   HN) 2.735 0.935 0.935 weight 1.000 ! spec=NOESY, no=193, id=190, vol=1.340000e+07
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   17 and name   HE) 2.746 0.942 0.942 weight 1.000 ! spec=NOESY, no=198, id=195, vol=1.310000e+07
    or (segid "    " and resid   17 and name  HD1) (segid "    " and resid   17 and name   HE)
    or (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid    6 and name HB12) (segid "    " and resid    8 and name   HN) 2.760 0.952 0.952 weight 1.000 ! spec=NOESY, no=205, id=202, vol=1.270000e+07
    or (segid "    " and resid    6 and name HB11) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    6 and name HB13) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    6 and name HB22) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    6 and name HB21) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    6 and name HB23) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    9 and name HB12) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    9 and name HB11) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    9 and name HB13) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    9 and name HB22) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    9 and name HB21) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    9 and name HB23) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    3 and name HB12) (segid "    " and resid    5 and name   HN) 2.810 0.987 0.987 weight 1.000 ! spec=NOESY, no=216, id=213, vol=1.140000e+07
    or (segid "    " and resid    3 and name HB11) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid    3 and name HB13) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid    3 and name HB22) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid    3 and name HB21) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid    3 and name HB23) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid   12 and name HB22) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN) 2.836 1.005 1.005 weight 1.000 ! spec=NOESY, no=227, id=224, vol=1.080000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name   HN) 2.867 1.028 1.028 weight 1.000 ! spec=NOESY, no=237, id=234, vol=1.010000e+07
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    8 and name   HA) 2.894 1.047 1.047 weight 1.000 ! spec=NOESY, no=251, id=248, vol=9.560000e+06
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    8 and name   HN) 2.909 1.058 1.058 weight 1.000 ! spec=NOESY, no=254, id=251, vol=9.270000e+06
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name  HD1) 2.921 1.066 1.066 weight 1.000 ! spec=NOESY, no=256, id=253, vol=9.040000e+06
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    5 and name  HD2) (segid "    " and resid    5 and name   HA) 2.976 1.107 1.107 weight 1.000 ! spec=NOESY, no=279, id=276, vol=8.080000e+06
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid    5 and name   HA)
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid    5 and name   HA)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   15 and name   HN) 3.002 1.127 1.127 weight 1.000 ! spec=NOESY, no=288, id=284, vol=7.670000e+06
    or (segid "    " and resid   16 and name  HM1) (segid "    " and resid   15 and name   HN)
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   15 and name   HN)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HE) 3.002 1.127 1.127 weight 1.000 ! spec=NOESY, no=289, id=285, vol=7.670000e+06
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HE)
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HE)
assign (segid "    " and resid    6 and name HB12) (segid "    " and resid    5 and name   HN) 3.049 1.162 1.162 weight 1.000 ! spec=NOESY, no=300, id=296, vol=6.990000e+06
    or (segid "    " and resid    6 and name HB11) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid    6 and name HB13) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid    9 and name HB12) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid    9 and name HB11) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid    9 and name HB13) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid    9 and name HB22) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid    9 and name HB21) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid    9 and name HB23) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid    3 and name HB12) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid    3 and name HB11) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid    3 and name HB13) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   16 and name HG22) 3.085 1.190 1.190 weight 1.000 ! spec=NOESY, no=311, id=307, vol=6.510000e+06
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name  HE1) 3.152 1.242 1.242 weight 1.000 ! spec=NOESY, no=330, id=326, vol=5.730000e+06
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   19 and name  HB1) 3.167 1.254 1.254 weight 1.000 ! spec=NOESY, no=334, id=330, vol=5.560000e+06
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name  HB1)
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   19 and name  HB1)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    8 and name   HA) 3.175 1.260 1.260 weight 1.000 ! spec=NOESY, no=337, id=333, vol=5.480000e+06
    or (segid "    " and resid   12 and name HB12) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid   12 and name HB11) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid   12 and name HB13) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   19 and name   HN) 3.237 1.310 1.310 weight 1.000 ! spec=NOESY, no=359, id=355, vol=4.880000e+06
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name   HN)
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   22 and name   HN) 3.253 1.323 1.323 weight 1.000 ! spec=NOESY, no=366, id=362, vol=4.740000e+06
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   23 and name  HD1) 3.257 1.326 1.326 weight 1.000 ! spec=NOESY, no=367, id=363, vol=4.700000e+06
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   18 and name   HN) 3.259 1.327 1.327 weight 1.000 ! spec=NOESY, no=370, id=366, vol=4.690000e+06
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   16 and name  HM1) (segid "    " and resid   11 and name  HD1) 3.273 1.339 1.339 weight 1.000 ! spec=NOESY, no=376, id=372, vol=4.570000e+06
    or (segid "    " and resid   16 and name  HM1) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   16 and name  HM2) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   16 and name  HM3) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    7 and name   HN) 3.297 1.359 1.359 weight 1.000 ! spec=NOESY, no=386, id=382, vol=4.370000e+06
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG22) 3.320 1.378 1.378 weight 1.000 ! spec=NOESY, no=396, id=391, vol=4.190000e+06
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG12) 3.385 1.433 1.433 weight 1.000 ! spec=NOESY, no=413, id=408, vol=3.730000e+06
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG13)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   25 and name HG12)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   25 and name HG13)
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   16 and name HG22) 3.526 1.554 1.554 weight 1.000 ! spec=NOESY, no=450, id=444, vol=2.920000e+06
    or (segid "    " and resid   17 and name  HD2) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   17 and name  HD2) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   17 and name  HD1) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   17 and name  HD1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   17 and name  HD1) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   17 and name   HN) 3.566 1.590 1.590 weight 1.000 ! spec=NOESY, no=455, id=449, vol=2.730000e+06
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   18 and name   HN) 3.636 1.653 1.653 weight 1.000 ! spec=NOESY, no=468, id=461, vol=2.430000e+06
    or (segid "    " and resid   17 and name   HN) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    9 and name   HN) 3.636 1.653 1.653 weight 1.000 ! spec=NOESY, no=469, id=462, vol=2.430000e+06
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HE) 3.675 1.688 1.688 weight 1.000 ! spec=NOESY, no=481, id=474, vol=2.280000e+06
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid    3 and name HB22) (segid "    " and resid    1 and name HD21) 3.808 1.813 1.813 weight 1.000 ! spec=NOESY, no=504, id=497, vol=1.840000e+06
    or (segid "    " and resid    3 and name HB21) (segid "    " and resid    1 and name HD21)
    or (segid "    " and resid    3 and name HB23) (segid "    " and resid    1 and name HD21)
    or (segid "    " and resid    6 and name HB22) (segid "    " and resid    1 and name HD21)
    or (segid "    " and resid    6 and name HB21) (segid "    " and resid    1 and name HD21)
    or (segid "    " and resid    6 and name HB23) (segid "    " and resid    1 and name HD21)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name   HE) 4.010 2.010 2.010 weight 1.000 ! spec=NOESY, no=522, id=515, vol=1.350000e+06
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HE)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   10 and name   HN) 4.543 2.579 2.579 weight 1.000 ! spec=NOESY, no=529, id=522, vol=6.390000e+05
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   25 and name  HM1) (segid "    " and resid   17 and name   HE) 5.616 3.942 3.942 weight 1.000 ! spec=NOESY, no=531, id=524, vol=1.790000e+05
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   17 and name   HE)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   17 and name   HE)
    or (segid "    " and resid   25 and name  HM1) (segid "    " and resid   22 and name   HE)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   22 and name   HE)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   22 and name   HE)
    or (segid "    " and resid   25 and name  HM1) (segid "    " and resid   28 and name  HN1)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   28 and name  HN1)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   28 and name  HN1)
# Restraints file 4: wsh2006_dihedrals.tbl
!Phi angle constraints
!C4
 assign (resid  3  and name C ) (resid  4  and name N ) 
        (resid  4  and name CA) (resid  4  and name C )   1.0  -65.0 25.0 2
!K5
 assign (resid  4  and name C ) (resid  5  and name N ) 
        (resid  5  and name CA) (resid  5  and name C )   1.0  -65.0 25.0 2
!L7
 assign (resid  6  and name C ) (resid  7  and name N ) 
        (resid  7  and name CA) (resid  7  and name C )   1.0  -65.0 25.0 2
!K8
 assign (resid  7  and name C ) (resid  8  and name N ) 
        (resid  8  and name CA) (resid  8  and name C )   1.0  -65.0 25.0 2
!C14
 assign (resid 13  and name C ) (resid 14  and name N ) 
        (resid 14  and name CA) (resid 14  and name C )   1.0  -120.0 40.0 2
!C18
 assign (resid 17  and name C ) (resid 18  and name N ) 
        (resid 18  and name CA) (resid 18  and name C )   1.0  -120.0 40.0 2
!R22
 assign (resid 21  and name C ) (resid 22  and name N ) 
        (resid 22  and name CA) (resid 22  and name C )   1.0  -120.0 40.0 2
!Y23
 assign (resid 22  and name C ) (resid 23  and name N ) 
        (resid 23  and name CA) (resid 23  and name C )   1.0  -120.0 40.0 2
!E24
 assign (resid 23  and name C ) (resid 24  and name N ) 
        (resid 24  and name CA) (resid 24  and name C )   1.0  -120.0 40.0 2
!H26
 assign (resid 25  and name C ) (resid 26  and name N ) 
        (resid 26  and name CA) (resid 26  and name C )   1.0  -120.0 40.0 2
!C27
 assign (resid 26  and name C ) (resid 27  and name N ) 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN   1           HT1      ASN   1   9.622 -11.387  -3.471
    2    H2   ASN   1           HT2      ASN   1   9.574 -12.514  -2.213
    3    H3   ASN   1           HT3      ASN   1  10.707 -11.259  -2.183
    4    HA   ASN   1           HA       ASN   1   7.774 -10.943  -2.024
    5    HB2  ASN   1           HB2      ASN   1   8.160 -10.255   0.297
    6    HB3  ASN   1           HB1      ASN   1   8.740 -11.893   0.036
    7   HD21  ASN   1          HD21      ASN   1   9.455  -9.825   2.028
    8   HD22  ASN   1          HD22      ASN   1  11.174  -9.664   1.911
    9    H    ASP   2           HN       ASP   2   7.307  -8.675  -1.151
   10    HA   ASP   2           HA       ASP   2   9.155  -6.592  -1.816
   11    HB2  ASP   2           HB2      ASP   2   8.347  -7.244  -4.077
   12    HB3  ASP   2           HB1      ASP   2   6.697  -6.936  -3.553
   13    H    AIB   3           HN       AIB   3   8.615  -4.759  -0.743
   14   HB11  AIB   3          HB11      AIB   3   7.215  -2.395   1.546
   15   HB12  AIB   3          HB12      AIB   3   7.822  -2.373  -0.108
   16   HB13  AIB   3          HB13      AIB   3   8.724  -3.215   1.150
   17   HB21  AIB   3          HB21      AIB   3   6.308  -5.925   1.616
   18   HB22  AIB   3          HB22      AIB   3   6.275  -4.402   2.504
   19   HB23  AIB   3          HB23      AIB   3   7.813  -5.209   2.195
   20    H    CYS   4           HN       CYS   4   6.390  -3.240  -1.780
   21    HA   CYS   4           HA       CYS   4   3.815  -2.237  -1.145
   22    HB2  CYS   4           HB2      CYS   4   5.168  -1.192  -2.881
   23    HB3  CYS   4           HB1      CYS   4   5.116  -2.664  -3.837
   24    H    LYS   5           HN       LYS   5   4.982  -5.213  -2.555
   25    HA   LYS   5           HA       LYS   5   2.500  -6.189  -3.487
   26    HB2  LYS   5           HB2      LYS   5   4.561  -7.221  -4.211
   27    HB3  LYS   5           HB1      LYS   5   4.987  -7.632  -2.557
   28    HG2  LYS   5           HG2      LYS   5   4.240  -9.610  -3.670
   29    HG3  LYS   5           HG1      LYS   5   3.027  -9.146  -2.478
   30    HD2  LYS   5           HD2      LYS   5   1.647  -8.177  -4.226
   31    HD3  LYS   5           HD1      LYS   5   2.882  -8.544  -5.432
   32    HE2  LYS   5           HE2      LYS   5   1.120 -10.205  -5.522
   33    HE3  LYS   5           HE1      LYS   5   2.612 -10.944  -4.942
   34    HZ1  LYS   5           HZ1      LYS   5   0.373 -10.047  -3.211
   35    HZ2  LYS   5           HZ2      LYS   5   1.779 -10.835  -2.696
   36    HZ3  LYS   5           HZ3      LYS   5   0.664 -11.647  -3.670
   37    H    AIB   6           HN       AIB   6   4.224  -6.577  -0.427
   38   HB11  AIB   6          HB11      AIB   6   3.457  -7.406   2.960
   39   HB12  AIB   6          HB12      AIB   6   4.166  -6.079   2.042
   40   HB13  AIB   6          HB13      AIB   6   4.684  -7.737   1.735
   41   HB21  AIB   6          HB21      AIB   6   1.543  -8.843   0.207
   42   HB22  AIB   6          HB22      AIB   6   1.972  -8.992   1.911
   43   HB23  AIB   6          HB23      AIB   6   3.175  -9.327   0.668
   44    H    LEU   7           HN       LEU   7   2.655  -4.729   0.807
   45    HA   LEU   7           HA       LEU   7   0.448  -4.216   2.489
   46    HB2  LEU   7           HB2      LEU   7   1.591  -2.485   0.295
   47    HB3  LEU   7           HB1      LEU   7   0.508  -1.943   1.556
   48    HG   LEU   7           HG       LEU   7   3.314  -2.973   1.991
   49   HD11  LEU   7          HD11      LEU   7   3.829  -0.655   2.561
   50   HD12  LEU   7          HD12      LEU   7   2.182  -0.184   2.141
   51   HD13  LEU   7          HD13      LEU   7   3.268  -0.795   0.894
   52   HD21  LEU   7          HD21      LEU   7   1.847  -3.458   3.884
   53   HD22  LEU   7          HD22      LEU   7   1.331  -1.773   3.923
   54   HD23  LEU   7          HD23      LEU   7   3.004  -2.190   4.289
   55    H    LYS   8           HN       LYS   8   0.749  -4.493  -1.013
   56    HA   LYS   8           HA       LYS   8  -1.833  -3.733  -1.728
   57    HB2  LYS   8           HB2      LYS   8  -0.013  -4.028  -3.338
   58    HB3  LYS   8           HB1      LYS   8  -0.010  -5.758  -3.039
   59    HG2  LYS   8           HG2      LYS   8  -2.324  -5.869  -3.919
   60    HG3  LYS   8           HG1      LYS   8  -2.215  -4.153  -4.319
   61    HD2  LYS   8           HD2      LYS   8  -0.314  -6.255  -5.353
   62    HD3  LYS   8           HD1      LYS   8  -1.739  -5.699  -6.231
   63    HE2  LYS   8           HE2      LYS   8   0.476  -3.874  -5.302
   64    HE3  LYS   8           HE1      LYS   8   0.423  -4.608  -6.903
   65    HZ1  LYS   8           HZ1      LYS   8  -1.641  -3.479  -7.342
   66    HZ2  LYS   8           HZ2      LYS   8  -0.475  -2.347  -6.875
   67    HZ3  LYS   8           HZ3      LYS   8  -1.671  -2.827  -5.784
   68    H    AIB   9           HN       AIB   9  -0.536  -6.966  -1.089
   69   HB11  AIB   9          HB11      AIB   9  -1.774 -10.186  -0.174
   70   HB12  AIB   9          HB12      AIB   9  -0.562  -9.026   0.367
   71   HB13  AIB   9          HB13      AIB   9  -0.686  -9.440  -1.344
   72   HB21  AIB   9          HB21      AIB   9  -2.650  -8.770  -2.633
   73   HB22  AIB   9          HB22      AIB   9  -3.922  -7.802  -1.891
   74   HB23  AIB   9          HB23      AIB   9  -3.708  -9.487  -1.418
   75    H    ARG  10           HN       ARG  10  -1.499  -6.766   1.376
   76    HA   ARG  10           HA       ARG  10  -3.290  -7.784   3.317
   77    HB2  ARG  10           HB2      ARG  10  -1.107  -6.723   3.852
   78    HB3  ARG  10           HB1      ARG  10  -1.770  -5.169   3.362
   79    HG2  ARG  10           HG2      ARG  10  -3.490  -5.407   5.131
   80    HG3  ARG  10           HG1      ARG  10  -2.674  -6.874   5.671
   81    HD2  ARG  10           HD2      ARG  10  -1.521  -4.087   5.592
   82    HD3  ARG  10           HD1      ARG  10  -1.987  -4.990   7.031
   83    HE   ARG  10           HE       ARG  10  -0.137  -6.591   5.828
   84   HH11  ARG  10          HH11      ARG  10   1.518  -3.204   7.229
   85   HH12  ARG  10          HH12      ARG  10  -0.196  -3.287   6.976
   86   HH21  ARG  10          HH21      ARG  10   2.122  -6.498   6.174
   87   HH22  ARG  10          HH22      ARG  10   2.842  -5.039   6.778
   88    H    TYR  11           HN       TYR  11  -3.299  -4.872   1.332
   89    HA   TYR  11           HA       TYR  11  -5.829  -4.032   2.539
   90    HB2  TYR  11           HB2      TYR  11  -3.903  -2.568   0.728
   91    HB3  TYR  11           HB1      TYR  11  -5.387  -1.885   1.377
   92    HD1  TYR  11           HD1      TYR  11  -5.580  -2.074   4.032
   93    HD2  TYR  11           HD2      TYR  11  -1.940  -2.116   1.836
   94    HE1  TYR  11           HE1      TYR  11  -4.369  -1.330   6.034
   95    HE2  TYR  11           HE2      TYR  11  -0.723  -1.374   3.832
   96    HH   TYR  11           HH       TYR  11  -2.033  -1.441   6.924
   97    H    AIB  12           HN       AIB  12  -5.786  -6.259   0.753
   98   HB11  AIB  12          HB11      AIB  12  -7.546  -7.895  -0.049
   99   HB12  AIB  12          HB12      AIB  12  -6.071  -7.989  -1.011
  100   HB13  AIB  12          HB13      AIB  12  -7.643  -7.922  -1.809
  101   HB21  AIB  12          HB21      AIB  12  -5.309  -6.079  -2.307
  102   HB22  AIB  12          HB22      AIB  12  -6.258  -4.594  -2.357
  103   HB23  AIB  12          HB23      AIB  12  -6.871  -6.059  -3.124
  104    H    GLY  13           HN       GLY  13  -8.418  -5.540   1.051
  105    HA2  GLY  13           HA2      GLY  13 -10.920  -5.206  -0.349
  106    HA3  GLY  13           HA1      GLY  13 -10.665  -5.052   1.382
  107    H    CYS  14           HN       CYS  14  -8.348  -3.239   0.018
  108    HA   CYS  14           HA       CYS  14  -9.987  -0.811  -0.207
  109    HB2  CYS  14           HB2      CYS  14  -7.381  -1.049   1.315
  110    HB3  CYS  14           HB1      CYS  14  -8.339   0.412   1.126
  111    H    GLU  15           HN       GLU  15  -8.000   0.983  -0.769
  112    HA   GLU  15           HA       GLU  15  -6.452  -0.253  -2.953
  113    HB2  GLU  15           HB2      GLU  15  -7.512   2.574  -2.786
  114    HB3  GLU  15           HB1      GLU  15  -6.526   1.932  -4.093
  115    HG2  GLU  15           HG2      GLU  15  -8.303   0.356  -4.657
  116    HG3  GLU  15           HG1      GLU  15  -9.288   1.000  -3.342
  117    HN1  MVA  16           HM1      MEV  16  -3.180  -0.589  -3.407
  118    HN2  MVA  16           HM2      MEV  16  -4.751  -0.061  -4.006
  119    HN3  MVA  16           HM3      MEV  16  -4.654  -1.300  -2.754
  120    HA   MVA  16           HA       MEV  16  -3.244   2.027  -0.884
  121    HB   MVA  16           HB       MEV  16  -3.096  -0.192   0.212
  122   HG11  MVA  16          HG11      MEV  16  -1.121  -0.819  -1.969
  123   HG12  MVA  16          HG12      MEV  16  -2.628  -1.669  -1.616
  124   HG13  MVA  16          HG13      MEV  16  -1.289  -1.731  -0.468
  125   HG21  MVA  16          HG21      MEV  16  -0.504   1.219  -0.385
  126   HG22  MVA  16          HG22      MEV  16  -0.744   0.071   0.931
  127   HG23  MVA  16          HG23      MEV  16  -1.644   1.589   0.910
  128    H    ARG  17           HN       ARG  17  -2.189   3.466  -1.849
  129    HA   ARG  17           HA       ARG  17  -0.652   2.917  -4.259
  130    HB2  ARG  17           HB2      ARG  17  -2.163   4.852  -4.231
  131    HB3  ARG  17           HB1      ARG  17  -1.326   5.495  -2.829
  132    HG2  ARG  17           HG2      ARG  17   0.731   5.650  -4.209
  133    HG3  ARG  17           HG1      ARG  17  -0.235   5.178  -5.608
  134    HD2  ARG  17           HD2      ARG  17  -1.671   7.128  -5.293
  135    HD3  ARG  17           HD1      ARG  17  -0.747   7.588  -3.864
  136    HE   ARG  17           HE       ARG  17   0.445   7.486  -6.562
  137   HH11  ARG  17          HH11      ARG  17   0.978  10.427  -3.877
  138   HH12  ARG  17          HH12      ARG  17  -0.078   9.103  -3.487
  139   HH21  ARG  17          HH21      ARG  17   1.821   9.226  -7.065
  140   HH22  ARG  17          HH22      ARG  17   2.066  10.493  -5.905
  141    H    CYS  18           HN       CYS  18   1.255   2.008  -3.705
  142    HA   CYS  18           HA       CYS  18   2.723   2.886  -1.380
  143    HB2  CYS  18           HB2      CYS  18   4.413   1.209  -2.182
  144    HB3  CYS  18           HB1      CYS  18   2.808   0.539  -1.907
  145    H    ASP  19           HN       ASP  19   4.301   4.375  -1.345
  146    HA   ASP  19           HA       ASP  19   5.540   5.172  -3.879
  147    HB2  ASP  19           HB2      ASP  19   3.726   6.788  -3.396
  148    HB3  ASP  19           HB1      ASP  19   4.470   7.126  -1.835
  149    HA   DPR  20           HA       DPR  20   9.432   5.547  -1.788
  150    HB2  DPR  20           HB2      DPR  20  10.717   3.860  -2.630
  151    HB3  DPR  20           HB1      DPR  20   9.567   2.611  -2.147
  152    HG2  DPR  20           HG2      DPR  20   9.538   4.379  -4.558
  153    HG3  DPR  20           HG1      DPR  20   9.165   2.650  -4.428
  154    HD2  DPR  20           HD2      DPR  20   7.239   4.527  -4.572
  155    HD3  DPR  20           HD1      DPR  20   7.037   3.040  -3.626
  156    HA   PRO  21           HA       PRO  21   9.221   3.629   2.250
  157    HB2  PRO  21           HB2      PRO  21   9.567   5.842   3.701
  158    HB3  PRO  21           HB1      PRO  21  10.884   5.176   2.728
  159    HG2  PRO  21           HG2      PRO  21   9.046   7.456   2.113
  160    HG3  PRO  21           HG1      PRO  21  10.800   7.351   1.891
  161    HD2  PRO  21           HD2      PRO  21   8.981   6.948  -0.121
  162    HD3  PRO  21           HD1      PRO  21  10.601   6.227  -0.097
  163    H    ARG  22           HN       ARG  22   6.941   5.644   0.805
  164    HA   ARG  22           HA       ARG  22   5.226   5.686   3.202
  165    HB2  ARG  22           HB2      ARG  22   4.923   7.297   0.665
  166    HB3  ARG  22           HB1      ARG  22   3.994   7.484   2.144
  167    HG2  ARG  22           HG2      ARG  22   5.987   8.247   3.314
  168    HG3  ARG  22           HG1      ARG  22   6.940   8.030   1.843
  169    HD2  ARG  22           HD2      ARG  22   4.660   9.953   2.282
  170    HD3  ARG  22           HD1      ARG  22   6.358  10.354   2.030
  171    HE   ARG  22           HE       ARG  22   6.044   9.339  -0.255
  172   HH11  ARG  22          HH11      ARG  22   3.374  10.793   1.495
  173   HH12  ARG  22          HH12      ARG  22   2.462  11.132   0.060
  174   HH21  ARG  22          HH21      ARG  22   3.275  10.553  -1.991
  175   HH22  ARG  22          HH22      ARG  22   4.819   9.754  -2.134
  176    H    TYR  23           HN       TYR  23   2.936   5.331   2.850
  177    HA   TYR  23           HA       TYR  23   2.105   4.233   0.311
  178    HB2  TYR  23           HB2      TYR  23   1.169   2.197   1.214
  179    HB3  TYR  23           HB1      TYR  23   2.886   2.248   1.582
  180    HD1  TYR  23           HD1      TYR  23  -0.461   2.106   2.926
  181    HD2  TYR  23           HD2      TYR  23   3.622   2.775   3.911
  182    HE1  TYR  23           HE1      TYR  23  -0.981   1.726   5.296
  183    HE2  TYR  23           HE2      TYR  23   3.115   2.402   6.287
  184    HH   TYR  23           HH       TYR  23   1.149   2.540   7.797
  185    H    GLU  24           HN       GLU  24  -0.024   4.581  -0.084
  186    HA   GLU  24           HA       GLU  24  -1.528   5.950   2.045
  187    HB2  GLU  24           HB2      GLU  24  -1.831   6.342  -0.935
  188    HB3  GLU  24           HB1      GLU  24  -2.597   7.281   0.337
  189    HG2  GLU  24           HG2      GLU  24  -0.369   8.068   1.051
  190    HG3  GLU  24           HG1      GLU  24   0.341   7.200  -0.310
  191    HN1  MVA  25           HM1      MEV  25  -4.662   5.482   3.250
  192    HN2  MVA  25           HM2      MEV  25  -3.524   6.493   2.359
  193    HN3  MVA  25           HM3      MEV  25  -2.931   5.332   3.547
  194    HA   MVA  25           HA       MEV  25  -4.599   3.062   0.608
  195    HB   MVA  25           HB       MEV  25  -3.404   1.712   2.134
  196   HG11  MVA  25          HG11      MEV  25  -3.094   3.134   4.020
  197   HG12  MVA  25          HG12      MEV  25  -3.915   1.670   4.563
  198   HG13  MVA  25          HG13      MEV  25  -4.826   3.164   4.349
  199   HG21  MVA  25          HG21      MEV  25  -6.348   1.652   2.763
  200   HG22  MVA  25          HG22      MEV  25  -5.211   0.346   3.101
  201   HG23  MVA  25          HG23      MEV  25  -5.531   0.828   1.435
  202    H    HIS  26           HN       HIS  26  -6.490   3.466   0.008
  203    HA   HIS  26           HA       HIS  26  -8.312   4.933   1.780
  204    HB2  HIS  26           HB2      HIS  26  -8.350   4.548  -1.216
  205    HB3  HIS  26           HB1      HIS  26  -9.602   5.382  -0.313
  206    HD1  HIS  26           HD1      HIS  26  -9.241   7.815   0.157
  207    HD2  HIS  26           HD2      HIS  26  -5.788   5.918  -1.176
  208    HE1  HIS  26           HE1      HIS  26  -7.574   9.651  -0.251
  209    HE2  HIS  26           HE2      HIS  26  -5.445   8.466  -0.893
  210    H    CYS  27           HN       CYS  27  -9.962   3.896   2.648
  211    HA   CYS  27           HA       CYS  27 -10.802   1.345   1.450
  212    HB2  CYS  27           HB2      CYS  27 -10.892   2.213   4.345
  213    HB3  CYS  27           HB1      CYS  27 -11.542   0.701   3.724
  214    HN1  NH2  28           HN1      NH2  28 -12.250   2.511   0.101
  215    HN2  NH2  28           HN2      NH2  28 -13.723   3.159   0.727
  Start of MODEL    2
    1    H1   ASN   1           HT1      ASN   1   9.972 -11.049  -2.385
    2    H2   ASN   1           HT2      ASN   1   9.292 -12.311  -1.486
    3    H3   ASN   1           HT3      ASN   1  10.081 -11.042  -0.697
    4    HA   ASN   1           HA       ASN   1   7.603 -10.789  -2.292
    5    HB2  ASN   1           HB2      ASN   1   7.253 -11.997  -0.164
    6    HB3  ASN   1           HB1      ASN   1   8.032 -10.682   0.708
    7   HD21  ASN   1          HD21      ASN   1   5.195 -11.690  -1.030
    8   HD22  ASN   1          HD22      ASN   1   4.175 -10.393  -0.509
    9    H    ASP   2           HN       ASP   2   7.141  -8.755  -2.879
   10    HA   ASP   2           HA       ASP   2   9.016  -6.664  -2.168
   11    HB2  ASP   2           HB2      ASP   2   8.263  -6.948  -4.516
   12    HB3  ASP   2           HB1      ASP   2   6.623  -6.550  -4.013
   13    H    AIB   3           HN       AIB   3   8.493  -4.729  -1.162
   14   HB11  AIB   3          HB11      AIB   3   8.643  -3.155   0.717
   15   HB12  AIB   3          HB12      AIB   3   7.132  -2.344   1.126
   16   HB13  AIB   3          HB13      AIB   3   7.704  -2.355  -0.541
   17   HB21  AIB   3          HB21      AIB   3   7.800  -5.141   1.816
   18   HB22  AIB   3          HB22      AIB   3   6.296  -5.897   1.293
   19   HB23  AIB   3          HB23      AIB   3   6.256  -4.360   2.157
   20    H    CYS   4           HN       CYS   4   6.235  -3.426  -2.199
   21    HA   CYS   4           HA       CYS   4   3.691  -2.339  -1.607
   22    HB2  CYS   4           HB2      CYS   4   4.929  -3.095  -4.252
   23    HB3  CYS   4           HB1      CYS   4   3.453  -2.160  -4.068
   24    H    LYS   5           HN       LYS   5   4.772  -5.476  -2.718
   25    HA   LYS   5           HA       LYS   5   2.191  -6.416  -3.461
   26    HB2  LYS   5           HB2      LYS   5   4.323  -7.454  -4.246
   27    HB3  LYS   5           HB1      LYS   5   4.593  -8.050  -2.613
   28    HG2  LYS   5           HG2      LYS   5   2.549  -9.377  -2.748
   29    HG3  LYS   5           HG1      LYS   5   2.257  -8.765  -4.377
   30    HD2  LYS   5           HD2      LYS   5   4.393  -9.774  -5.101
   31    HD3  LYS   5           HD1      LYS   5   4.593 -10.451  -3.482
   32    HE2  LYS   5           HE2      LYS   5   3.672 -12.110  -5.023
   33    HE3  LYS   5           HE1      LYS   5   2.521 -11.717  -3.746
   34    HZ1  LYS   5           HZ1      LYS   5   1.384 -10.232  -5.297
   35    HZ2  LYS   5           HZ2      LYS   5   1.425 -11.815  -5.883
   36    HZ3  LYS   5           HZ3      LYS   5   2.472 -10.653  -6.520
   37    H    AIB   6           HN       AIB   6   4.174  -6.646  -0.554
   38   HB11  AIB   6          HB11      AIB   6   4.806  -7.520   1.676
   39   HB12  AIB   6          HB12      AIB   6   3.642  -7.141   2.947
   40   HB13  AIB   6          HB13      AIB   6   4.227  -5.865   1.878
   41   HB21  AIB   6          HB21      AIB   6   2.135  -8.836   2.156
   42   HB22  AIB   6          HB22      AIB   6   3.299  -9.267   0.905
   43   HB23  AIB   6          HB23      AIB   6   1.635  -8.888   0.467
   44    H    LEU   7           HN       LEU   7   2.630  -4.688   0.643
   45    HA   LEU   7           HA       LEU   7   0.512  -4.074   2.387
   46    HB2  LEU   7           HB2      LEU   7   1.475  -2.567  -0.042
   47    HB3  LEU   7           HB1      LEU   7   0.382  -1.924   1.163
   48    HG   LEU   7           HG       LEU   7   3.242  -2.750   1.680
   49   HD11  LEU   7          HD11      LEU   7   3.646  -0.345   1.898
   50   HD12  LEU   7          HD12      LEU   7   1.978  -0.023   1.423
   51   HD13  LEU   7          HD13      LEU   7   3.096  -0.763   0.277
   52   HD21  LEU   7          HD21      LEU   7   1.221  -1.366   3.441
   53   HD22  LEU   7          HD22      LEU   7   2.913  -1.648   3.843
   54   HD23  LEU   7          HD23      LEU   7   1.816  -3.014   3.646
   55    H    LYS   8           HN       LYS   8   0.564  -4.611  -1.116
   56    HA   LYS   8           HA       LYS   8  -2.123  -3.955  -1.571
   57    HB2  LYS   8           HB2      LYS   8  -0.341  -4.184  -3.319
   58    HB3  LYS   8           HB1      LYS   8  -0.463  -5.929  -3.142
   59    HG2  LYS   8           HG2      LYS   8  -2.767  -5.871  -3.883
   60    HG3  LYS   8           HG1      LYS   8  -2.707  -4.111  -3.994
   61    HD2  LYS   8           HD2      LYS   8  -0.911  -4.315  -5.679
   62    HD3  LYS   8           HD1      LYS   8  -1.076  -6.070  -5.608
   63    HE2  LYS   8           HE2      LYS   8  -2.291  -5.167  -7.515
   64    HE3  LYS   8           HE1      LYS   8  -3.400  -5.880  -6.347
   65    HZ1  LYS   8           HZ1      LYS   8  -3.919  -3.679  -5.529
   66    HZ2  LYS   8           HZ2      LYS   8  -4.201  -3.754  -7.192
   67    HZ3  LYS   8           HZ3      LYS   8  -2.820  -2.980  -6.607
   68    H    AIB   9           HN       AIB   9  -0.572  -7.084  -0.967
   69   HB11  AIB   9          HB11      AIB   9  -1.519 -10.309   0.232
   70   HB12  AIB   9          HB12      AIB   9  -0.387  -9.018   0.634
   71   HB13  AIB   9          HB13      AIB   9  -0.535  -9.576  -1.033
   72   HB21  AIB   9          HB21      AIB   9  -3.562  -9.833  -0.999
   73   HB22  AIB   9          HB22      AIB   9  -2.553  -9.181  -2.291
   74   HB23  AIB   9          HB23      AIB   9  -3.866  -8.214  -1.624
   75    H    ARG  10           HN       ARG  10  -1.407  -6.854   1.521
   76    HA   ARG  10           HA       ARG  10  -3.045  -7.839   3.604
   77    HB2  ARG  10           HB2      ARG  10  -0.883  -6.772   4.009
   78    HB3  ARG  10           HB1      ARG  10  -1.498  -5.252   3.380
   79    HG2  ARG  10           HG2      ARG  10  -3.001  -5.025   5.223
   80    HG3  ARG  10           HG1      ARG  10  -2.593  -6.637   5.815
   81    HD2  ARG  10           HD2      ARG  10  -0.683  -4.310   5.591
   82    HD3  ARG  10           HD1      ARG  10  -1.444  -4.868   7.080
   83    HE   ARG  10           HE       ARG  10  -0.164  -7.073   6.057
   84   HH11  ARG  10          HH11      ARG  10   2.417  -4.370   7.517
   85   HH12  ARG  10          HH12      ARG  10   0.825  -3.861   7.045
   86   HH21  ARG  10          HH21      ARG  10   1.916  -7.731   6.682
   87   HH22  ARG  10          HH22      ARG  10   3.034  -6.563   7.317
   88    H    TYR  11           HN       TYR  11  -3.307  -5.082   1.444
   89    HA   TYR  11           HA       TYR  11  -5.810  -4.276   2.738
   90    HB2  TYR  11           HB2      TYR  11  -3.980  -2.839   0.809
   91    HB3  TYR  11           HB1      TYR  11  -5.512  -2.191   1.374
   92    HD1  TYR  11           HD1      TYR  11  -5.799  -1.861   3.896
   93    HD2  TYR  11           HD2      TYR  11  -2.026  -2.524   2.051
   94    HE1  TYR  11           HE1      TYR  11  -4.677  -0.913   5.865
   95    HE2  TYR  11           HE2      TYR  11  -0.892  -1.582   4.015
   96    HH   TYR  11           HH       TYR  11  -2.564  -0.913   6.965
   97    H    AIB  12           HN       AIB  12  -6.108  -6.552   1.380
   98   HB11  AIB  12          HB11      AIB  12  -8.143  -8.021   0.840
   99   HB12  AIB  12          HB12      AIB  12  -6.642  -8.577   0.100
  100   HB13  AIB  12          HB13      AIB  12  -8.116  -8.476  -0.863
  101   HB21  AIB  12          HB21      AIB  12  -5.483  -7.186  -1.535
  102   HB22  AIB  12          HB22      AIB  12  -6.173  -5.648  -2.046
  103   HB23  AIB  12          HB23      AIB  12  -6.970  -7.161  -2.480
  104    H    GLY  13           HN       GLY  13  -8.678  -5.359   1.251
  105    HA2  GLY  13           HA2      GLY  13 -10.843  -4.920  -0.676
  106    HA3  GLY  13           HA1      GLY  13 -10.991  -4.825   1.069
  107    H    CYS  14           HN       CYS  14  -8.229  -3.255  -0.141
  108    HA   CYS  14           HA       CYS  14  -9.618  -0.671  -0.233
  109    HB2  CYS  14           HB2      CYS  14  -7.087  -1.108   1.346
  110    HB3  CYS  14           HB1      CYS  14  -8.074   0.343   1.296
  111    H    GLU  15           HN       GLU  15  -8.150   1.062  -1.065
  112    HA   GLU  15           HA       GLU  15  -6.386  -0.016  -3.138
  113    HB2  GLU  15           HB2      GLU  15  -7.564   2.743  -2.756
  114    HB3  GLU  15           HB1      GLU  15  -6.504   2.285  -4.081
  115    HG2  GLU  15           HG2      GLU  15  -9.191   1.059  -3.511
  116    HG3  GLU  15           HG1      GLU  15  -8.874   2.304  -4.716
  117    HN1  MVA  16           HM1      MEV  16  -4.541  -1.024  -3.111
  118    HN2  MVA  16           HM2      MEV  16  -3.108  -0.189  -3.711
  119    HN3  MVA  16           HM3      MEV  16  -4.712   0.345  -4.208
  120    HA   MVA  16           HA       MEV  16  -3.147   2.150  -0.973
  121    HB   MVA  16           HB       MEV  16  -3.222  -0.057   0.118
  122   HG11  MVA  16          HG11      MEV  16  -1.196  -0.871  -1.955
  123   HG12  MVA  16          HG12      MEV  16  -2.815  -1.543  -1.742
  124   HG13  MVA  16          HG13      MEV  16  -1.589  -1.781  -0.496
  125   HG21  MVA  16          HG21      MEV  16  -1.631   1.612   0.839
  126   HG22  MVA  16          HG22      MEV  16  -0.472   1.068  -0.374
  127   HG23  MVA  16          HG23      MEV  16  -0.916   0.005   0.961
  128    H    ARG  17           HN       ARG  17  -1.811   3.472  -1.736
  129    HA   ARG  17           HA       ARG  17  -0.147   2.814  -4.053
  130    HB2  ARG  17           HB2      ARG  17  -1.365   4.752  -4.513
  131    HB3  ARG  17           HB1      ARG  17  -1.229   5.344  -2.871
  132    HG2  ARG  17           HG2      ARG  17   1.181   5.756  -3.281
  133    HG3  ARG  17           HG1      ARG  17   0.916   5.310  -4.969
  134    HD2  ARG  17           HD2      ARG  17  -0.471   7.156  -5.363
  135    HD3  ARG  17           HD1      ARG  17  -0.730   7.439  -3.642
  136    HE   ARG  17           HE       ARG  17   1.998   7.761  -4.139
  137   HH11  ARG  17          HH11      ARG  17  -0.354  10.857  -5.181
  138   HH12  ARG  17          HH12      ARG  17  -1.039   9.269  -5.025
  139   HH21  ARG  17          HH21      ARG  17   2.902   9.854  -4.340
  140   HH22  ARG  17          HH22      ARG  17   1.894  11.190  -4.792
  141    H    CYS  18           HN       CYS  18   1.890   2.243  -3.605
  142    HA   CYS  18           HA       CYS  18   2.958   2.866  -0.960
  143    HB2  CYS  18           HB2      CYS  18   4.662   1.137  -1.526
  144    HB3  CYS  18           HB1      CYS  18   3.007   0.536  -1.580
  145    H    ASP  19           HN       ASP  19   4.368   4.449  -0.669
  146    HA   ASP  19           HA       ASP  19   6.270   5.058  -2.824
  147    HB2  ASP  19           HB2      ASP  19   4.694   7.023  -1.166
  148    HB3  ASP  19           HB1      ASP  19   6.184   7.475  -1.983
  149    HA   DPR  20           HA       DPR  20   9.591   4.977  -0.010
  150    HB2  DPR  20           HB2      DPR  20  10.531   3.231  -1.115
  151    HB3  DPR  20           HB1      DPR  20  10.026   2.300   0.299
  152    HG2  DPR  20           HG2      DPR  20   9.195   1.631  -2.141
  153    HG3  DPR  20           HG1      DPR  20   8.110   1.509  -0.744
  154    HD2  DPR  20           HD2      DPR  20   8.225   3.610  -2.876
  155    HD3  DPR  20           HD1      DPR  20   6.811   2.859  -2.108
  156    HA   PRO  21           HA       PRO  21   8.642   3.736   4.161
  157    HB2  PRO  21           HB2      PRO  21   8.772   6.171   5.290
  158    HB3  PRO  21           HB1      PRO  21  10.216   5.316   4.735
  159    HG2  PRO  21           HG2      PRO  21   8.666   7.484   3.378
  160    HG3  PRO  21           HG1      PRO  21  10.421   7.311   3.549
  161    HD2  PRO  21           HD2      PRO  21   9.079   6.620   1.290
  162    HD3  PRO  21           HD1      PRO  21  10.566   5.805   1.814
  163    H    ARG  22           HN       ARG  22   6.652   5.665   2.144
  164    HA   ARG  22           HA       ARG  22   4.536   5.590   4.197
  165    HB2  ARG  22           HB2      ARG  22   3.596   7.645   3.247
  166    HB3  ARG  22           HB1      ARG  22   5.235   7.898   3.829
  167    HG2  ARG  22           HG2      ARG  22   6.094   7.835   1.584
  168    HG3  ARG  22           HG1      ARG  22   4.499   7.426   0.952
  169    HD2  ARG  22           HD2      ARG  22   5.161   9.973   2.427
  170    HD3  ARG  22           HD1      ARG  22   5.105   9.823   0.673
  171    HE   ARG  22           HE       ARG  22   2.664   8.966   1.347
  172   HH11  ARG  22          HH11      ARG  22   4.480  11.783   2.367
  173   HH12  ARG  22          HH12      ARG  22   3.068  12.753   2.638
  174   HH21  ARG  22          HH21      ARG  22   0.977  11.869   2.284
  175   HH22  ARG  22          HH22      ARG  22   0.798  10.227   1.723
  176    H    TYR  23           HN       TYR  23   2.330   5.550   3.321
  177    HA   TYR  23           HA       TYR  23   1.994   4.804   0.561
  178    HB2  TYR  23           HB2      TYR  23   0.871   2.673   1.030
  179    HB3  TYR  23           HB1      TYR  23   2.557   2.637   1.521
  180    HD1  TYR  23           HD1      TYR  23  -0.913   2.595   2.669
  181    HD2  TYR  23           HD2      TYR  23   3.165   2.497   3.866
  182    HE1  TYR  23           HE1      TYR  23  -1.593   1.863   4.915
  183    HE2  TYR  23           HE2      TYR  23   2.497   1.766   6.111
  184    HH   TYR  23           HH       TYR  23   0.576   1.826   7.569
  185    H    GLU  24           HN       GLU  24  -0.057   5.077  -0.166
  186    HA   GLU  24           HA       GLU  24  -1.891   6.463   1.653
  187    HB2  GLU  24           HB2      GLU  24  -1.961   6.270  -1.364
  188    HB3  GLU  24           HB1      GLU  24  -2.966   7.302  -0.364
  189    HG2  GLU  24           HG2      GLU  24   0.022   7.531  -0.492
  190    HG3  GLU  24           HG1      GLU  24  -1.070   8.442  -1.530
  191    HN1  MVA  25           HM1      MEV  25  -3.912   6.764   2.066
  192    HN2  MVA  25           HM2      MEV  25  -3.009   5.802   3.236
  193    HN3  MVA  25           HM3      MEV  25  -4.768   5.679   3.158
  194    HA   MVA  25           HA       MEV  25  -4.698   3.176   0.579
  195    HB   MVA  25           HB       MEV  25  -3.332   2.089   2.238
  196   HG11  MVA  25          HG11      MEV  25  -5.105   3.395   4.287
  197   HG12  MVA  25          HG12      MEV  25  -3.370   3.629   4.071
  198   HG13  MVA  25          HG13      MEV  25  -3.989   2.072   4.623
  199   HG21  MVA  25          HG21      MEV  25  -5.270   0.911   1.431
  200   HG22  MVA  25          HG22      MEV  25  -6.281   1.663   2.662
  201   HG23  MVA  25          HG23      MEV  25  -5.016   0.530   3.134
  202    H    HIS  26           HN       HIS  26  -6.636   3.477  -0.008
  203    HA   HIS  26           HA       HIS  26  -8.542   4.735   1.858
  204    HB2  HIS  26           HB2      HIS  26  -8.421   4.751  -1.154
  205    HB3  HIS  26           HB1      HIS  26  -9.873   5.194  -0.272
  206    HD1  HIS  26           HD1      HIS  26 -10.100   7.613   0.109
  207    HD2  HIS  26           HD2      HIS  26  -6.120   6.471  -0.222
  208    HE1  HIS  26           HE1      HIS  26  -8.776   9.741   0.251
  209    HE2  HIS  26           HE2      HIS  26  -6.368   9.003   0.229
  210    H    CYS  27           HN       CYS  27  -9.928   3.370   2.717
  211    HA   CYS  27           HA       CYS  27 -10.562   0.884   1.316
  212    HB2  CYS  27           HB2      CYS  27 -11.113   1.754   4.157
  213    HB3  CYS  27           HB1      CYS  27 -11.545   0.188   3.480
  214    HN1  NH2  28           HN1      NH2  28 -11.995   1.620  -0.217
  215    HN2  NH2  28           HN2      NH2  28 -13.551   2.261   0.172
  Start of MODEL    3
    1    H1   ASN   1           HT1      ASN   1  10.051 -11.461  -1.150
    2    H2   ASN   1           HT2      ASN   1   9.362 -11.493  -2.693
    3    H3   ASN   1           HT3      ASN   1   8.817 -12.560  -1.501
    4    HA   ASN   1           HA       ASN   1   7.261 -10.764  -1.830
    5    HB2  ASN   1           HB2      ASN   1   8.748 -10.856   0.796
    6    HB3  ASN   1           HB1      ASN   1   7.290  -9.896   0.579
    7   HD21  ASN   1          HD21      ASN   1   6.187 -11.112   2.111
    8   HD22  ASN   1          HD22      ASN   1   5.625 -12.715   1.772
    9    H    ASP   2           HN       ASP   2   6.786  -8.505  -1.490
   10    HA   ASP   2           HA       ASP   2   9.072  -6.701  -1.437
   11    HB2  ASP   2           HB2      ASP   2   8.671  -7.084  -3.824
   12    HB3  ASP   2           HB1      ASP   2   6.973  -6.674  -3.617
   13    H    AIB   3           HN       AIB   3   8.477  -4.524  -0.915
   14   HB11  AIB   3          HB11      AIB   3   8.485  -2.654   0.698
   15   HB12  AIB   3          HB12      AIB   3   6.943  -1.808   0.819
   16   HB13  AIB   3          HB13      AIB   3   7.658  -2.118  -0.763
   17   HB21  AIB   3          HB21      AIB   3   6.056  -3.632   2.158
   18   HB22  AIB   3          HB22      AIB   3   7.608  -4.461   2.029
   19   HB23  AIB   3          HB23      AIB   3   6.123  -5.293   1.569
   20    H    CYS   4           HN       CYS   4   6.249  -3.278  -2.270
   21    HA   CYS   4           HA       CYS   4   3.648  -2.242  -1.907
   22    HB2  CYS   4           HB2      CYS   4   4.989  -3.233  -4.423
   23    HB3  CYS   4           HB1      CYS   4   3.497  -2.309  -4.375
   24    H    LYS   5           HN       LYS   5   4.859  -5.412  -2.822
   25    HA   LYS   5           HA       LYS   5   2.404  -6.583  -3.537
   26    HB2  LYS   5           HB2      LYS   5   4.589  -7.605  -4.045
   27    HB3  LYS   5           HB1      LYS   5   4.860  -7.882  -2.332
   28    HG2  LYS   5           HG2      LYS   5   2.836  -9.349  -2.327
   29    HG3  LYS   5           HG1      LYS   5   2.780  -9.174  -4.084
   30    HD2  LYS   5           HD2      LYS   5   5.056 -10.101  -4.227
   31    HD3  LYS   5           HD1      LYS   5   5.068 -10.315  -2.476
   32    HE2  LYS   5           HE2      LYS   5   4.538 -12.419  -3.523
   33    HE3  LYS   5           HE1      LYS   5   3.107 -11.813  -2.690
   34    HZ1  LYS   5           HZ1      LYS   5   2.272 -11.002  -4.822
   35    HZ2  LYS   5           HZ2      LYS   5   2.541 -12.670  -4.862
   36    HZ3  LYS   5           HZ3      LYS   5   3.637 -11.623  -5.605
   37    H    AIB   6           HN       AIB   6   4.169  -6.533  -0.476
   38   HB11  AIB   6          HB11      AIB   6   3.508  -6.999   2.995
   39   HB12  AIB   6          HB12      AIB   6   4.154  -5.749   1.934
   40   HB13  AIB   6          HB13      AIB   6   4.705  -7.417   1.769
   41   HB21  AIB   6          HB21      AIB   6   3.188  -9.145   0.999
   42   HB22  AIB   6          HB22      AIB   6   1.564  -8.741   0.441
   43   HB23  AIB   6          HB23      AIB   6   1.951  -8.663   2.161
   44    H    LEU   7           HN       LEU   7   2.586  -4.571   0.541
   45    HA   LEU   7           HA       LEU   7   0.468  -3.918   2.287
   46    HB2  LEU   7           HB2      LEU   7   1.481  -2.383  -0.101
   47    HB3  LEU   7           HB1      LEU   7   0.465  -1.740   1.170
   48    HG   LEU   7           HG       LEU   7   3.295  -2.728   1.537
   49   HD11  LEU   7          HD11      LEU   7   3.844  -0.373   1.859
   50   HD12  LEU   7          HD12      LEU   7   2.175   0.068   1.499
   51   HD13  LEU   7          HD13      LEU   7   3.183  -0.659   0.248
   52   HD21  LEU   7          HD21      LEU   7   1.940  -3.038   3.540
   53   HD22  LEU   7          HD22      LEU   7   1.411  -1.357   3.452
   54   HD23  LEU   7          HD23      LEU   7   3.104  -1.733   3.767
   55    H    LYS   8           HN       LYS   8   0.577  -4.576  -1.183
   56    HA   LYS   8           HA       LYS   8  -2.090  -3.886  -1.728
   57    HB2  LYS   8           HB2      LYS   8  -0.137  -5.701  -3.109
   58    HB3  LYS   8           HB1      LYS   8  -1.785  -5.524  -3.692
   59    HG2  LYS   8           HG2      LYS   8  -1.421  -3.104  -3.933
   60    HG3  LYS   8           HG1      LYS   8   0.246  -3.318  -3.402
   61    HD2  LYS   8           HD2      LYS   8   0.116  -3.181  -5.832
   62    HD3  LYS   8           HD1      LYS   8   0.671  -4.776  -5.320
   63    HE2  LYS   8           HE2      LYS   8  -0.978  -4.893  -7.151
   64    HE3  LYS   8           HE1      LYS   8  -1.540  -5.700  -5.689
   65    HZ1  LYS   8           HZ1      LYS   8  -3.283  -4.366  -6.680
   66    HZ2  LYS   8           HZ2      LYS   8  -2.326  -2.978  -6.578
   67    HZ3  LYS   8           HZ3      LYS   8  -2.861  -3.740  -5.169
   68    H    AIB   9           HN       AIB   9  -0.633  -7.044  -1.028
   69   HB11  AIB   9          HB11      AIB   9  -0.493  -8.946   0.596
   70   HB12  AIB   9          HB12      AIB   9  -0.724  -9.539  -1.048
   71   HB13  AIB   9          HB13      AIB   9  -1.697 -10.191   0.269
   72   HB21  AIB   9          HB21      AIB   9  -4.043  -8.058  -1.525
   73   HB22  AIB   9          HB22      AIB   9  -3.709  -9.691  -0.950
   74   HB23  AIB   9          HB23      AIB   9  -2.769  -9.016  -2.280
   75    H    ARG  10           HN       ARG  10  -1.396  -6.732   1.462
   76    HA   ARG  10           HA       ARG  10  -2.928  -7.606   3.653
   77    HB2  ARG  10           HB2      ARG  10  -0.742  -6.523   3.849
   78    HB3  ARG  10           HB1      ARG  10  -1.415  -5.029   3.223
   79    HG2  ARG  10           HG2      ARG  10  -2.767  -4.753   5.178
   80    HG3  ARG  10           HG1      ARG  10  -2.270  -6.335   5.790
   81    HD2  ARG  10           HD2      ARG  10   0.019  -5.595   5.965
   82    HD3  ARG  10           HD1      ARG  10  -0.392  -4.046   5.232
   83    HE   ARG  10           HE       ARG  10  -1.974  -4.075   7.393
   84   HH11  ARG  10          HH11      ARG  10   1.868  -4.212   8.561
   85   HH12  ARG  10          HH12      ARG  10   1.427  -4.787   6.985
   86   HH21  ARG  10          HH21      ARG  10  -1.395  -3.309   9.474
   87   HH22  ARG  10          HH22      ARG  10   0.266  -3.371   9.973
   88    H    TYR  11           HN       TYR  11  -3.328  -4.921   1.404
   89    HA   TYR  11           HA       TYR  11  -5.798  -4.168   2.816
   90    HB2  TYR  11           HB2      TYR  11  -4.028  -2.538   0.986
   91    HB3  TYR  11           HB1      TYR  11  -5.513  -1.963   1.736
   92    HD1  TYR  11           HD1      TYR  11  -5.609  -2.071   4.325
   93    HD2  TYR  11           HD2      TYR  11  -1.996  -2.248   2.088
   94    HE1  TYR  11           HE1      TYR  11  -4.351  -1.379   6.317
   95    HE2  TYR  11           HE2      TYR  11  -0.727  -1.556   4.076
   96    HH   TYR  11           HH       TYR  11  -1.080  -0.387   6.195
   97    H    AIB  12           HN       AIB  12  -5.984  -6.335   1.194
   98   HB11  AIB  12          HB11      AIB  12  -6.441  -8.198  -0.326
   99   HB12  AIB  12          HB12      AIB  12  -7.943  -8.069  -1.243
  100   HB13  AIB  12          HB13      AIB  12  -7.957  -7.851   0.507
  101   HB21  AIB  12          HB21      AIB  12  -5.458  -6.524  -1.834
  102   HB22  AIB  12          HB22      AIB  12  -6.259  -4.972  -2.076
  103   HB23  AIB  12          HB23      AIB  12  -6.996  -6.449  -2.694
  104    H    GLY  13           HN       GLY  13  -8.610  -5.365   1.342
  105    HA2  GLY  13           HA2      GLY  13 -10.976  -4.906  -0.264
  106    HA3  GLY  13           HA1      GLY  13 -10.845  -4.718   1.476
  107    H    CYS  14           HN       CYS  14  -8.337  -3.135  -0.100
  108    HA   CYS  14           HA       CYS  14  -9.806  -0.605  -0.274
  109    HB2  CYS  14           HB2      CYS  14  -7.199  -0.903   1.219
  110    HB3  CYS  14           HB1      CYS  14  -8.187   0.544   1.098
  111    H    GLU  15           HN       GLU  15  -8.027   1.135  -1.005
  112    HA   GLU  15           HA       GLU  15  -6.439  -0.102  -3.152
  113    HB2  GLU  15           HB2      GLU  15  -7.598   2.681  -2.954
  114    HB3  GLU  15           HB1      GLU  15  -6.534   2.136  -4.244
  115    HG2  GLU  15           HG2      GLU  15  -8.191   0.440  -4.873
  116    HG3  GLU  15           HG1      GLU  15  -9.259   1.032  -3.601
  117    HN1  MVA  16           HM1      MEV  16  -5.370  -1.279  -2.076
  118    HN2  MVA  16           HM2      MEV  16  -3.619  -1.451  -2.088
  119    HN3  MVA  16           HM3      MEV  16  -4.457  -0.867  -3.524
  120    HA   MVA  16           HA       MEV  16  -3.181   1.773  -0.700
  121    HB   MVA  16           HB       MEV  16  -2.881  -0.856  -0.355
  122   HG11  MVA  16          HG11      MEV  16  -0.814  -1.704  -1.229
  123   HG12  MVA  16          HG12      MEV  16  -0.470  -0.175  -2.032
  124   HG13  MVA  16          HG13      MEV  16  -1.807  -1.178  -2.588
  125   HG21  MVA  16          HG21      MEV  16  -0.823  -0.363   0.877
  126   HG22  MVA  16          HG22      MEV  16  -2.053   0.872   1.133
  127   HG23  MVA  16          HG23      MEV  16  -0.699   1.183   0.045
  128    H    ARG  17           HN       ARG  17  -1.487   2.986  -1.262
  129    HA   ARG  17           HA       ARG  17  -0.349   2.678  -3.963
  130    HB2  ARG  17           HB2      ARG  17  -0.781   5.297  -2.521
  131    HB3  ARG  17           HB1      ARG  17  -0.146   5.086  -4.140
  132    HG2  ARG  17           HG2      ARG  17  -2.295   4.290  -4.913
  133    HG3  ARG  17           HG1      ARG  17  -2.945   4.405  -3.273
  134    HD2  ARG  17           HD2      ARG  17  -2.381   6.844  -3.314
  135    HD3  ARG  17           HD1      ARG  17  -1.969   6.664  -5.017
  136    HE   ARG  17           HE       ARG  17  -4.456   5.732  -5.014
  137   HH11  ARG  17          HH11      ARG  17  -4.562   9.488  -3.590
  138   HH12  ARG  17          HH12      ARG  17  -3.085   8.576  -3.495
  139   HH21  ARG  17          HH21      ARG  17  -6.398   6.936  -5.135
  140   HH22  ARG  17          HH22      ARG  17  -6.439   8.559  -4.517
  141    H    CYS  18           HN       CYS  18   1.695   1.960  -3.610
  142    HA   CYS  18           HA       CYS  18   3.007   2.673  -1.125
  143    HB2  CYS  18           HB2      CYS  18   4.801   1.122  -1.894
  144    HB3  CYS  18           HB1      CYS  18   3.213   0.372  -1.790
  145    H    ASP  19           HN       ASP  19   4.325   4.299  -0.887
  146    HA   ASP  19           HA       ASP  19   5.722   5.402  -3.225
  147    HB2  ASP  19           HB2      ASP  19   3.684   6.756  -2.523
  148    HB3  ASP  19           HB1      ASP  19   4.528   7.084  -1.014
  149    HA   DPR  20           HA       DPR  20   9.416   5.582  -0.739
  150    HB2  DPR  20           HB2      DPR  20  10.810   3.998  -1.599
  151    HB3  DPR  20           HB1      DPR  20   9.665   2.688  -1.297
  152    HG2  DPR  20           HG2      DPR  20   9.770   4.618  -3.581
  153    HG3  DPR  20           HG1      DPR  20   9.450   2.873  -3.601
  154    HD2  DPR  20           HD2      DPR  20   7.470   4.679  -3.787
  155    HD3  DPR  20           HD1      DPR  20   7.250   3.145  -2.922
  156    HA   PRO  21           HA       PRO  21   8.870   3.262   3.072
  157    HB2  PRO  21           HB2      PRO  21   9.261   5.293   4.756
  158    HB3  PRO  21           HB1      PRO  21  10.596   4.630   3.807
  159    HG2  PRO  21           HG2      PRO  21   8.955   7.081   3.297
  160    HG3  PRO  21           HG1      PRO  21  10.714   6.879   3.199
  161    HD2  PRO  21           HD2      PRO  21   9.056   6.798   1.022
  162    HD3  PRO  21           HD1      PRO  21  10.609   5.944   1.105
  163    H    ARG  22           HN       ARG  22   6.852   5.583   1.696
  164    HA   ARG  22           HA       ARG  22   4.933   5.439   3.936
  165    HB2  ARG  22           HB2      ARG  22   5.791   7.707   3.526
  166    HB3  ARG  22           HB1      ARG  22   5.318   7.593   1.841
  167    HG2  ARG  22           HG2      ARG  22   2.981   7.531   2.464
  168    HG3  ARG  22           HG1      ARG  22   3.417   7.554   4.175
  169    HD2  ARG  22           HD2      ARG  22   4.145   9.719   2.210
  170    HD3  ARG  22           HD1      ARG  22   2.721   9.771   3.247
  171    HE   ARG  22           HE       ARG  22   4.743   9.383   5.003
  172   HH11  ARG  22          HH11      ARG  22   4.272  11.726   2.440
  173   HH12  ARG  22          HH12      ARG  22   5.131  12.983   3.271
  174   HH21  ARG  22          HH21      ARG  22   6.031  12.593   5.342
  175   HH22  ARG  22          HH22      ARG  22   5.854  11.036   6.093
  176    H    TYR  23           HN       TYR  23   2.673   5.224   3.326
  177    HA   TYR  23           HA       TYR  23   2.122   4.741   0.521
  178    HB2  TYR  23           HB2      TYR  23   1.097   2.568   0.885
  179    HB3  TYR  23           HB1      TYR  23   2.786   2.533   1.359
  180    HD1  TYR  23           HD1      TYR  23  -0.672   2.348   2.527
  181    HD2  TYR  23           HD2      TYR  23   3.417   2.278   3.694
  182    HE1  TYR  23           HE1      TYR  23  -1.317   1.417   4.706
  183    HE2  TYR  23           HE2      TYR  23   2.784   1.352   5.882
  184    HH   TYR  23           HH       TYR  23   0.850   1.230   7.338
  185    H    GLU  24           HN       GLU  24  -0.026   4.859  -0.039
  186    HA   GLU  24           HA       GLU  24  -1.810   6.014   1.986
  187    HB2  GLU  24           HB2      GLU  24  -1.943   5.973  -1.029
  188    HB3  GLU  24           HB1      GLU  24  -3.253   6.549  -0.018
  189    HG2  GLU  24           HG2      GLU  24  -1.654   8.228   0.929
  190    HG3  GLU  24           HG1      GLU  24  -0.516   7.734  -0.328
  191    HN1  MVA  25           HM1      MEV  25  -3.935   6.361   2.098
  192    HN2  MVA  25           HM2      MEV  25  -3.244   5.483   3.462
  193    HN3  MVA  25           HM3      MEV  25  -4.967   5.353   3.107
  194    HA   MVA  25           HA       MEV  25  -4.592   2.710   0.760
  195    HB   MVA  25           HB       MEV  25  -3.430   1.593   2.506
  196   HG11  MVA  25          HG11      MEV  25  -4.043   1.794   4.879
  197   HG12  MVA  25          HG12      MEV  25  -5.090   3.153   4.472
  198   HG13  MVA  25          HG13      MEV  25  -3.348   3.277   4.222
  199   HG21  MVA  25          HG21      MEV  25  -6.403   1.462   2.948
  200   HG22  MVA  25          HG22      MEV  25  -5.240   0.253   3.494
  201   HG23  MVA  25          HG23      MEV  25  -5.466   0.544   1.768
  202    H    HIS  26           HN       HIS  26  -6.351   3.459  -0.100
  203    HA   HIS  26           HA       HIS  26  -8.286   4.866   1.594
  204    HB2  HIS  26           HB2      HIS  26  -8.111   4.681  -1.417
  205    HB3  HIS  26           HB1      HIS  26  -9.316   5.602  -0.528
  206    HD1  HIS  26           HD1      HIS  26  -8.590   7.862   0.472
  207    HD2  HIS  26           HD2      HIS  26  -5.528   5.817  -1.469
  208    HE1  HIS  26           HE1      HIS  26  -6.712   9.515   0.238
  209    HE2  HIS  26           HE2      HIS  26  -4.856   8.266  -0.921
  210    H    CYS  27           HN       CYS  27  -9.778   3.634   2.445
  211    HA   CYS  27           HA       CYS  27 -10.668   1.226   1.049
  212    HB2  CYS  27           HB2      CYS  27 -11.214   2.127   3.884
  213    HB3  CYS  27           HB1      CYS  27 -11.588   0.550   3.198
  214    HN1  NH2  28           HN1      NH2  28 -11.974   2.305  -0.483
  215    HN2  NH2  28           HN2      NH2  28 -13.487   3.012  -0.046
  Start of MODEL    4
    1    H1   ASN   1           HT1      ASN   1   9.187 -10.830  -3.358
    2    H2   ASN   1           HT2      ASN   1   8.554 -12.144  -2.508
    3    H3   ASN   1           HT3      ASN   1   9.663 -11.110  -1.762
    4    HA   ASN   1           HA       ASN   1   6.939 -10.366  -2.654
    5    HB2  ASN   1           HB2      ASN   1   7.186 -11.880  -0.602
    6    HB3  ASN   1           HB1      ASN   1   8.007 -10.531   0.172
    7   HD21  ASN   1          HD21      ASN   1   5.557 -11.854   0.926
    8   HD22  ASN   1          HD22      ASN   1   4.325 -10.641   0.935
    9    H    ASP   2           HN       ASP   2   6.567  -8.200  -2.743
   10    HA   ASP   2           HA       ASP   2   8.812  -6.435  -2.020
   11    HB2  ASP   2           HB2      ASP   2   6.628  -5.903  -4.043
   12    HB3  ASP   2           HB1      ASP   2   8.022  -4.888  -3.721
   13    H    AIB   3           HN       AIB   3   8.178  -4.231  -1.343
   14   HB11  AIB   3          HB11      AIB   3   7.236  -1.867  -0.939
   15   HB12  AIB   3          HB12      AIB   3   8.195  -2.461   0.414
   16   HB13  AIB   3          HB13      AIB   3   6.619  -1.728   0.706
   17   HB21  AIB   3          HB21      AIB   3   5.865  -3.716   1.928
   18   HB22  AIB   3          HB22      AIB   3   7.487  -4.367   1.693
   19   HB23  AIB   3          HB23      AIB   3   6.081  -5.318   1.220
   20    H    CYS   4           HN       CYS   4   5.862  -3.049  -2.453
   21    HA   CYS   4           HA       CYS   4   3.235  -2.183  -2.045
   22    HB2  CYS   4           HB2      CYS   4   4.527  -3.232  -4.567
   23    HB3  CYS   4           HB1      CYS   4   3.008  -2.351  -4.501
   24    H    LYS   5           HN       LYS   5   4.512  -5.340  -2.937
   25    HA   LYS   5           HA       LYS   5   2.059  -6.583  -3.552
   26    HB2  LYS   5           HB2      LYS   5   4.553  -7.871  -2.419
   27    HB3  LYS   5           HB1      LYS   5   3.270  -8.686  -3.302
   28    HG2  LYS   5           HG2      LYS   5   4.855  -6.478  -4.561
   29    HG3  LYS   5           HG1      LYS   5   5.455  -8.136  -4.531
   30    HD2  LYS   5           HD2      LYS   5   3.507  -8.901  -5.738
   31    HD3  LYS   5           HD1      LYS   5   2.796  -7.288  -5.672
   32    HE2  LYS   5           HE2      LYS   5   3.833  -7.786  -7.856
   33    HE3  LYS   5           HE1      LYS   5   4.569  -6.401  -7.052
   34    HZ1  LYS   5           HZ1      LYS   5   5.678  -9.156  -7.031
   35    HZ2  LYS   5           HZ2      LYS   5   6.411  -7.776  -6.376
   36    HZ3  LYS   5           HZ3      LYS   5   6.201  -7.913  -8.050
   37    H    AIB   6           HN       AIB   6   4.009  -6.521  -0.610
   38   HB11  AIB   6          HB11      AIB   6   4.160  -5.777   1.802
   39   HB12  AIB   6          HB12      AIB   6   4.691  -7.444   1.580
   40   HB13  AIB   6          HB13      AIB   6   3.581  -7.039   2.890
   41   HB21  AIB   6          HB21      AIB   6   3.136  -9.152   0.909
   42   HB22  AIB   6          HB22      AIB   6   1.491  -8.749   0.425
   43   HB23  AIB   6          HB23      AIB   6   1.947  -8.688   2.127
   44    H    LEU   7           HN       LEU   7   2.441  -4.595   0.441
   45    HA   LEU   7           HA       LEU   7   0.512  -3.911   2.383
   46    HB2  LEU   7           HB2      LEU   7   1.363  -2.465  -0.118
   47    HB3  LEU   7           HB1      LEU   7   0.311  -1.780   1.101
   48    HG   LEU   7           HG       LEU   7   3.151  -2.665   1.615
   49   HD11  LEU   7          HD11      LEU   7   3.134  -0.779   0.095
   50   HD12  LEU   7          HD12      LEU   7   3.650  -0.256   1.696
   51   HD13  LEU   7          HD13      LEU   7   2.012   0.085   1.143
   52   HD21  LEU   7          HD21      LEU   7   2.881  -1.401   3.697
   53   HD22  LEU   7          HD22      LEU   7   1.731  -2.733   3.593
   54   HD23  LEU   7          HD23      LEU   7   1.198  -1.082   3.280
   55    H    LYS   8           HN       LYS   8   0.237  -4.500  -1.114
   56    HA   LYS   8           HA       LYS   8  -2.509  -3.850  -1.226
   57    HB2  LYS   8           HB2      LYS   8  -0.787  -5.495  -3.073
   58    HB3  LYS   8           HB1      LYS   8  -2.470  -5.111  -3.411
   59    HG2  LYS   8           HG2      LYS   8  -1.877  -2.695  -3.260
   60    HG3  LYS   8           HG1      LYS   8  -0.186  -3.173  -3.118
   61    HD2  LYS   8           HD2      LYS   8  -0.325  -4.290  -5.290
   62    HD3  LYS   8           HD1      LYS   8  -2.015  -3.803  -5.432
   63    HE2  LYS   8           HE2      LYS   8  -1.298  -1.436  -5.297
   64    HE3  LYS   8           HE1      LYS   8   0.380  -1.976  -5.277
   65    HZ1  LYS   8           HZ1      LYS   8  -0.312  -1.319  -7.490
   66    HZ2  LYS   8           HZ2      LYS   8  -1.563  -2.454  -7.468
   67    HZ3  LYS   8           HZ3      LYS   8   0.046  -2.972  -7.452
   68    H    AIB   9           HN       AIB   9  -0.807  -6.928  -0.861
   69   HB11  AIB   9          HB11      AIB   9  -0.694  -9.398  -0.991
   70   HB12  AIB   9          HB12      AIB   9  -1.575 -10.223   0.295
   71   HB13  AIB   9          HB13      AIB   9  -0.454  -8.921   0.689
   72   HB21  AIB   9          HB21      AIB   9  -2.861  -9.064  -2.057
   73   HB22  AIB   9          HB22      AIB   9  -4.128  -8.143  -1.251
   74   HB23  AIB   9          HB23      AIB   9  -3.727  -9.766  -0.690
   75    H    ARG  10           HN       ARG  10  -1.351  -6.893   1.738
   76    HA   ARG  10           HA       ARG  10  -2.812  -7.900   3.923
   77    HB2  ARG  10           HB2      ARG  10  -0.677  -6.824   4.245
   78    HB3  ARG  10           HB1      ARG  10  -1.277  -5.325   3.553
   79    HG2  ARG  10           HG2      ARG  10  -2.840  -5.119   5.444
   80    HG3  ARG  10           HG1      ARG  10  -2.122  -6.568   6.154
   81    HD2  ARG  10           HD2      ARG  10   0.002  -5.496   6.364
   82    HD3  ARG  10           HD1      ARG  10  -0.546  -4.107   5.428
   83    HE   ARG  10           HE       ARG  10  -2.150  -4.478   7.745
   84   HH11  ARG  10          HH11      ARG  10   1.153  -2.196   8.013
   85   HH12  ARG  10          HH12      ARG  10   0.990  -3.329   6.709
   86   HH21  ARG  10          HH21      ARG  10  -1.936  -2.991   9.479
   87   HH22  ARG  10          HH22      ARG  10  -0.508  -2.011   9.595
   88    H    TYR  11           HN       TYR  11  -3.222  -5.014   1.942
   89    HA   TYR  11           HA       TYR  11  -5.620  -4.290   3.426
   90    HB2  TYR  11           HB2      TYR  11  -3.996  -2.867   1.321
   91    HB3  TYR  11           HB1      TYR  11  -5.529  -2.251   1.926
   92    HD1  TYR  11           HD1      TYR  11  -5.730  -1.787   4.429
   93    HD2  TYR  11           HD2      TYR  11  -2.015  -2.483   2.482
   94    HE1  TYR  11           HE1      TYR  11  -4.552  -0.716   6.300
   95    HE2  TYR  11           HE2      TYR  11  -0.826  -1.421   4.350
   96    HH   TYR  11           HH       TYR  11  -1.202   0.098   6.140
   97    H    AIB  12           HN       AIB  12  -6.122  -6.554   2.308
   98   HB11  AIB  12          HB11      AIB  12  -6.993  -8.653   1.359
   99   HB12  AIB  12          HB12      AIB  12  -8.582  -8.501   0.611
  100   HB13  AIB  12          HB13      AIB  12  -8.311  -7.876   2.236
  101   HB21  AIB  12          HB21      AIB  12  -5.956  -7.575  -0.536
  102   HB22  AIB  12          HB22      AIB  12  -6.537  -6.019  -1.126
  103   HB23  AIB  12          HB23      AIB  12  -7.534  -7.463  -1.309
  104    H    GLY  13           HN       GLY  13  -8.496  -5.747  -1.451
  105    HA2  GLY  13           HA2      GLY  13 -10.667  -4.987  -1.904
  106    HA3  GLY  13           HA1      GLY  13 -10.980  -4.914  -0.178
  107    H    CYS  14           HN       CYS  14  -8.159  -3.457  -0.242
  108    HA   CYS  14           HA       CYS  14  -9.356  -0.813  -0.752
  109    HB2  CYS  14           HB2      CYS  14  -7.129  -1.430   1.184
  110    HB3  CYS  14           HB1      CYS  14  -8.034   0.070   1.040
  111    H    GLU  15           HN       GLU  15  -8.017   0.792  -1.626
  112    HA   GLU  15           HA       GLU  15  -5.913  -0.232  -3.356
  113    HB2  GLU  15           HB2      GLU  15  -7.071   2.555  -3.144
  114    HB3  GLU  15           HB1      GLU  15  -6.024   1.959  -4.425
  115    HG2  GLU  15           HG2      GLU  15  -7.734   0.459  -5.192
  116    HG3  GLU  15           HG1      GLU  15  -8.773   0.894  -3.837
  117    HN1  MVA  16           HM1      MEV  16  -4.267   0.610  -4.393
  118    HN2  MVA  16           HM2      MEV  16  -3.814  -0.830  -3.482
  119    HN3  MVA  16           HM3      MEV  16  -2.587   0.358  -3.924
  120    HA   MVA  16           HA       MEV  16  -3.070   2.309  -0.997
  121    HB   MVA  16           HB       MEV  16  -3.072   0.217   0.179
  122   HG11  MVA  16          HG11      MEV  16  -2.731  -1.357  -1.615
  123   HG12  MVA  16          HG12      MEV  16  -1.521  -1.597  -0.354
  124   HG13  MVA  16          HG13      MEV  16  -1.084  -0.769  -1.851
  125   HG21  MVA  16          HG21      MEV  16  -0.255   1.131  -0.351
  126   HG22  MVA  16          HG22      MEV  16  -0.818   0.250   1.071
  127   HG23  MVA  16          HG23      MEV  16  -1.393   1.889   0.762
  128    H    ARG  17           HN       ARG  17  -1.982   3.794  -1.896
  129    HA   ARG  17           HA       ARG  17  -0.172   3.380  -4.089
  130    HB2  ARG  17           HB2      ARG  17  -0.501   5.843  -2.369
  131    HB3  ARG  17           HB1      ARG  17   0.194   5.760  -3.978
  132    HG2  ARG  17           HG2      ARG  17  -1.945   5.235  -4.933
  133    HG3  ARG  17           HG1      ARG  17  -2.675   5.147  -3.330
  134    HD2  ARG  17           HD2      ARG  17  -2.138   7.528  -2.981
  135    HD3  ARG  17           HD1      ARG  17  -1.476   7.602  -4.615
  136    HE   ARG  17           HE       ARG  17  -3.837   6.884  -5.299
  137   HH11  ARG  17          HH11      ARG  17  -4.649   9.705  -2.557
  138   HH12  ARG  17          HH12      ARG  17  -3.114   8.889  -2.512
  139   HH21  ARG  17          HH21      ARG  17  -5.856   7.955  -5.344
  140   HH22  ARG  17          HH22      ARG  17  -6.206   9.180  -4.163
  141    H    CYS  18           HN       CYS  18   1.655   2.325  -3.632
  142    HA   CYS  18           HA       CYS  18   2.856   2.585  -1.009
  143    HB2  CYS  18           HB2      CYS  18   4.378   0.767  -1.890
  144    HB3  CYS  18           HB1      CYS  18   2.669   0.354  -1.797
  145    H    ASP  19           HN       ASP  19   4.584   3.719  -0.538
  146    HA   ASP  19           HA       ASP  19   6.500   4.423  -2.646
  147    HB2  ASP  19           HB2      ASP  19   5.365   6.278  -0.545
  148    HB3  ASP  19           HB1      ASP  19   6.872   6.610  -1.389
  149    HA   DPR  20           HA       DPR  20   9.630   2.912   0.131
  150    HB2  DPR  20           HB2      DPR  20  10.141   0.790  -0.516
  151    HB3  DPR  20           HB1      DPR  20   8.496   0.205  -0.243
  152    HG2  DPR  20           HG2      DPR  20   9.622   1.656  -2.607
  153    HG3  DPR  20           HG1      DPR  20   8.511   0.273  -2.566
  154    HD2  DPR  20           HD2      DPR  20   7.639   2.778  -3.007
  155    HD3  DPR  20           HD1      DPR  20   6.674   1.604  -2.091
  156    HA   PRO  21           HA       PRO  21   8.006   1.567   4.086
  157    HB2  PRO  21           HB2      PRO  21   8.790   3.716   5.510
  158    HB3  PRO  21           HB1      PRO  21   9.934   2.489   4.956
  159    HG2  PRO  21           HG2      PRO  21   9.297   5.155   3.755
  160    HG3  PRO  21           HG1      PRO  21  10.880   4.410   4.034
  161    HD2  PRO  21           HD2      PRO  21   9.671   4.382   1.614
  162    HD3  PRO  21           HD1      PRO  21  10.716   3.061   2.170
  163    H    ARG  22           HN       ARG  22   7.058   4.321   2.270
  164    HA   ARG  22           HA       ARG  22   4.894   4.946   4.163
  165    HB2  ARG  22           HB2      ARG  22   5.972   6.492   1.799
  166    HB3  ARG  22           HB1      ARG  22   4.589   6.990   2.764
  167    HG2  ARG  22           HG2      ARG  22   5.990   7.215   4.719
  168    HG3  ARG  22           HG1      ARG  22   7.383   6.610   3.818
  169    HD2  ARG  22           HD2      ARG  22   5.837   9.122   3.178
  170    HD3  ARG  22           HD1      ARG  22   7.386   9.069   4.018
  171    HE   ARG  22           HE       ARG  22   8.291   8.056   1.920
  172   HH11  ARG  22          HH11      ARG  22   5.406  10.044   1.814
  173   HH12  ARG  22          HH12      ARG  22   5.660  10.538   0.173
  174   HH21  ARG  22          HH21      ARG  22   7.492   9.782  -0.994
  175   HH22  ARG  22          HH22      ARG  22   8.620   8.703  -0.234
  176    H    TYR  23           HN       TYR  23   2.740   5.167   3.351
  177    HA   TYR  23           HA       TYR  23   2.136   4.443   0.652
  178    HB2  TYR  23           HB2      TYR  23   0.822   2.440   1.166
  179    HB3  TYR  23           HB1      TYR  23   2.518   2.214   1.561
  180    HD1  TYR  23           HD1      TYR  23  -0.867   2.352   2.847
  181    HD2  TYR  23           HD2      TYR  23   3.244   2.181   3.927
  182    HE1  TYR  23           HE1      TYR  23  -1.498   1.673   5.121
  183    HE2  TYR  23           HE2      TYR  23   2.625   1.502   6.203
  184    HH   TYR  23           HH       TYR  23   0.741   1.652   7.714
  185    H    GLU  24           HN       GLU  24  -0.042   4.730   0.114
  186    HA   GLU  24           HA       GLU  24  -1.674   6.051   2.180
  187    HB2  GLU  24           HB2      GLU  24  -1.669   6.542  -0.802
  188    HB3  GLU  24           HB1      GLU  24  -2.734   7.320   0.354
  189    HG2  GLU  24           HG2      GLU  24  -0.835   8.386   1.422
  190    HG3  GLU  24           HG1      GLU  24   0.263   7.571   0.309
  191    HN1  MVA  25           HM1      MEV  25  -2.737   4.976   3.688
  192    HN2  MVA  25           HM2      MEV  25  -4.496   5.076   3.611
  193    HN3  MVA  25           HM3      MEV  25  -3.506   6.287   2.799
  194    HA   MVA  25           HA       MEV  25  -4.461   2.969   0.631
  195    HB   MVA  25           HB       MEV  25  -3.325   1.800   2.483
  196   HG11  MVA  25          HG11      MEV  25  -3.855   3.156   4.390
  197   HG12  MVA  25          HG12      MEV  25  -4.513   1.538   4.640
  198   HG13  MVA  25          HG13      MEV  25  -5.581   2.862   4.170
  199   HG21  MVA  25          HG21      MEV  25  -6.275   1.258   2.228
  200   HG22  MVA  25          HG22      MEV  25  -5.060   0.111   2.795
  201   HG23  MVA  25          HG23      MEV  25  -5.013   0.696   1.133
  202    H    HIS  26           HN       HIS  26  -6.412   3.053  -0.036
  203    HA   HIS  26           HA       HIS  26  -8.434   4.432   1.601
  204    HB2  HIS  26           HB2      HIS  26  -8.034   4.547  -1.388
  205    HB3  HIS  26           HB1      HIS  26  -9.473   5.136  -0.576
  206    HD1  HIS  26           HD1      HIS  26  -9.348   7.416   0.541
  207    HD2  HIS  26           HD2      HIS  26  -5.690   6.106  -0.945
  208    HE1  HIS  26           HE1      HIS  26  -7.813   9.400   0.680
  209    HE2  HIS  26           HE2      HIS  26  -5.651   8.626  -0.350
  210    H    CYS  27           HN       CYS  27  -9.993   3.105   2.187
  211    HA   CYS  27           HA       CYS  27 -10.461   0.666   0.655
  212    HB2  CYS  27           HB2      CYS  27 -11.445   1.532   3.377
  213    HB3  CYS  27           HB1      CYS  27 -11.834  -0.004   2.615
  214    HN1  NH2  28           HN1      NH2  28 -11.466   1.808  -1.085
  215    HN2  NH2  28           HN2      NH2  28 -13.119   2.288  -0.964
  Start of MODEL    5
    1    H1   ASN   1           HT1      ASN   1  11.001  -9.680  -3.717
    2    H2   ASN   1           HT2      ASN   1  11.168 -10.704  -2.385
    3    H3   ASN   1           HT3      ASN   1  11.663  -9.092  -2.280
    4    HA   ASN   1           HA       ASN   1   8.881  -9.994  -2.695
    5    HB2  ASN   1           HB2      ASN   1   9.796 -10.503  -0.420
    6    HB3  ASN   1           HB1      ASN   1  10.165  -8.794  -0.223
    7   HD21  ASN   1          HD21      ASN   1   8.827  -8.681   1.580
    8   HD22  ASN   1          HD22      ASN   1   7.100  -8.678   1.446
    9    H    ASP   2           HN       ASP   2   7.348  -8.213  -2.411
   10    HA   ASP   2           HA       ASP   2   8.499  -5.603  -3.142
   11    HB2  ASP   2           HB2      ASP   2   5.987  -6.919  -4.190
   12    HB3  ASP   2           HB1      ASP   2   6.352  -5.217  -4.421
   13    H    AIB   3           HN       AIB   3   8.108  -4.123  -1.647
   14   HB11  AIB   3          HB11      AIB   3   6.767  -1.997   0.903
   15   HB12  AIB   3          HB12      AIB   3   7.275  -1.870  -0.780
   16   HB13  AIB   3          HB13      AIB   3   8.299  -2.703   0.389
   17   HB21  AIB   3          HB21      AIB   3   6.122  -5.595   0.860
   18   HB22  AIB   3          HB22      AIB   3   6.095  -4.130   1.841
   19   HB23  AIB   3          HB23      AIB   3   7.635  -4.822   1.334
   20    H    CYS   4           HN       CYS   4   5.755  -2.855  -2.413
   21    HA   CYS   4           HA       CYS   4   3.191  -1.964  -1.728
   22    HB2  CYS   4           HB2      CYS   4   3.973  -2.860  -4.495
   23    HB3  CYS   4           HB1      CYS   4   2.860  -1.577  -4.043
   24    H    LYS   5           HN       LYS   5   4.325  -5.020  -3.024
   25    HA   LYS   5           HA       LYS   5   1.803  -6.156  -3.592
   26    HB2  LYS   5           HB2      LYS   5   3.878  -7.036  -4.542
   27    HB3  LYS   5           HB1      LYS   5   4.443  -7.482  -2.941
   28    HG2  LYS   5           HG2      LYS   5   2.494  -9.042  -2.775
   29    HG3  LYS   5           HG1      LYS   5   2.150  -8.689  -4.470
   30    HD2  LYS   5           HD2      LYS   5   4.768  -9.783  -3.443
   31    HD3  LYS   5           HD1      LYS   5   3.476 -10.764  -4.135
   32    HE2  LYS   5           HE2      LYS   5   4.835  -8.500  -5.592
   33    HE3  LYS   5           HE1      LYS   5   5.333 -10.185  -5.716
   34    HZ1  LYS   5           HZ1      LYS   5   2.627  -9.178  -6.399
   35    HZ2  LYS   5           HZ2      LYS   5   3.203 -10.752  -6.621
   36    HZ3  LYS   5           HZ3      LYS   5   3.854  -9.480  -7.524
   37    H    AIB   6           HN       AIB   6   3.967  -6.405  -0.799
   38   HB11  AIB   6          HB11      AIB   6   4.195  -5.883   1.684
   39   HB12  AIB   6          HB12      AIB   6   4.790  -7.492   1.265
   40   HB13  AIB   6          HB13      AIB   6   3.728  -7.279   2.658
   41   HB21  AIB   6          HB21      AIB   6   2.164  -8.922   1.813
   42   HB22  AIB   6          HB22      AIB   6   3.275  -9.198   0.472
   43   HB23  AIB   6          HB23      AIB   6   1.581  -8.832   0.151
   44    H    LEU   7           HN       LEU   7   2.445  -4.640   0.633
   45    HA   LEU   7           HA       LEU   7   0.475  -4.246   2.608
   46    HB2  LEU   7           HB2      LEU   7   1.198  -2.510   0.249
   47    HB3  LEU   7           HB1      LEU   7   0.212  -2.000   1.601
   48    HG   LEU   7           HG       LEU   7   3.114  -2.820   1.788
   49   HD11  LEU   7          HD11      LEU   7   1.833  -0.095   1.902
   50   HD12  LEU   7          HD12      LEU   7   2.824  -0.718   0.584
   51   HD13  LEU   7          HD13      LEU   7   3.539  -0.448   2.174
   52   HD21  LEU   7          HD21      LEU   7   1.235  -1.644   3.834
   53   HD22  LEU   7          HD22      LEU   7   2.965  -1.898   4.061
   54   HD23  LEU   7          HD23      LEU   7   1.893  -3.281   3.842
   55    H    LYS   8           HN       LYS   8   0.260  -4.530  -0.909
   56    HA   LYS   8           HA       LYS   8  -2.476  -4.058  -1.177
   57    HB2  LYS   8           HB2      LYS   8  -0.855  -4.187  -3.054
   58    HB3  LYS   8           HB1      LYS   8  -0.763  -5.927  -2.824
   59    HG2  LYS   8           HG2      LYS   8  -3.129  -6.133  -3.369
   60    HG3  LYS   8           HG1      LYS   8  -3.232  -4.385  -3.589
   61    HD2  LYS   8           HD2      LYS   8  -1.528  -4.555  -5.379
   62    HD3  LYS   8           HD1      LYS   8  -1.556  -6.310  -5.196
   63    HE2  LYS   8           HE2      LYS   8  -2.955  -5.569  -7.066
   64    HE3  LYS   8           HE1      LYS   8  -3.907  -6.360  -5.811
   65    HZ1  LYS   8           HZ1      LYS   8  -4.647  -4.241  -5.024
   66    HZ2  LYS   8           HZ2      LYS   8  -4.930  -4.307  -6.688
   67    HZ3  LYS   8           HZ3      LYS   8  -3.624  -3.418  -6.087
   68    H    AIB   9           HN       AIB   9  -0.717  -7.098  -0.728
   69   HB11  AIB   9          HB11      AIB   9  -0.319  -9.072   0.832
   70   HB12  AIB   9          HB12      AIB   9  -0.523  -9.555  -0.852
   71   HB13  AIB   9          HB13      AIB   9  -1.394 -10.408   0.424
   72   HB21  AIB   9          HB21      AIB   9  -3.533 -10.014  -0.631
   73   HB22  AIB   9          HB22      AIB   9  -2.654  -9.263  -1.963
   74   HB23  AIB   9          HB23      AIB   9  -3.974  -8.397  -1.178
   75    H    ARG  10           HN       ARG  10  -1.506  -6.844   1.793
   76    HA   ARG  10           HA       ARG  10  -2.981  -7.990   3.944
   77    HB2  ARG  10           HB2      ARG  10  -0.926  -6.697   4.328
   78    HB3  ARG  10           HB1      ARG  10  -1.723  -5.247   3.722
   79    HG2  ARG  10           HG2      ARG  10  -3.455  -5.725   5.583
   80    HG3  ARG  10           HG1      ARG  10  -2.184  -6.729   6.277
   81    HD2  ARG  10           HD2      ARG  10  -1.872  -3.821   5.548
   82    HD3  ARG  10           HD1      ARG  10  -2.253  -4.409   7.162
   83    HE   ARG  10           HE       ARG  10   0.201  -5.384   5.903
   84   HH11  ARG  10          HH11      ARG  10   0.095  -2.989   9.128
   85   HH12  ARG  10          HH12      ARG  10  -1.363  -3.312   8.244
   86   HH21  ARG  10          HH21      ARG  10   2.136  -4.951   7.060
   87   HH22  ARG  10          HH22      ARG  10   2.079  -3.926   8.458
   88    H    TYR  11           HN       TYR  11  -3.468  -5.099   1.934
   89    HA   TYR  11           HA       TYR  11  -5.801  -4.374   3.485
   90    HB2  TYR  11           HB2      TYR  11  -4.362  -3.026   1.207
   91    HB3  TYR  11           HB1      TYR  11  -5.832  -2.387   1.931
   92    HD1  TYR  11           HD1      TYR  11  -5.808  -1.880   4.438
   93    HD2  TYR  11           HD2      TYR  11  -2.281  -2.600   2.176
   94    HE1  TYR  11           HE1      TYR  11  -4.474  -0.771   6.173
   95    HE2  TYR  11           HE2      TYR  11  -0.936  -1.495   3.909
   96    HH   TYR  11           HH       TYR  11  -1.179   0.086   5.698
   97    H    AIB  12           HN       AIB  12  -5.229  -6.249   0.765
   98   HB11  AIB  12          HB11      AIB  12  -7.639  -8.116   1.479
   99   HB12  AIB  12          HB12      AIB  12  -8.904  -7.864   0.277
  100   HB13  AIB  12          HB13      AIB  12  -8.613  -6.649   1.523
  101   HB21  AIB  12          HB21      AIB  12  -5.928  -8.433  -0.138
  102   HB22  AIB  12          HB22      AIB  12  -5.724  -7.312  -1.485
  103   HB23  AIB  12          HB23      AIB  12  -7.164  -8.322  -1.391
  104    H    GLY  13           HN       GLY  13  -9.475  -5.674   0.159
  105    HA2  GLY  13           HA2      GLY  13  -9.716  -4.957  -2.624
  106    HA3  GLY  13           HA1      GLY  13 -10.951  -4.789  -1.389
  107    H    CYS  14           HN       CYS  14  -8.464  -3.373   0.067
  108    HA   CYS  14           HA       CYS  14  -9.340  -0.730  -0.778
  109    HB2  CYS  14           HB2      CYS  14  -7.364  -1.482   1.376
  110    HB3  CYS  14           HB1      CYS  14  -8.080   0.102   1.127
  111    H    GLU  15           HN       GLU  15  -8.052   0.790  -1.734
  112    HA   GLU  15           HA       GLU  15  -5.884  -0.263  -3.318
  113    HB2  GLU  15           HB2      GLU  15  -7.055   2.519  -3.141
  114    HB3  GLU  15           HB1      GLU  15  -5.852   2.009  -4.317
  115    HG2  GLU  15           HG2      GLU  15  -7.438   0.410  -5.248
  116    HG3  GLU  15           HG1      GLU  15  -8.643   0.918  -4.064
  117    HN1  MVA  16           HM1      MEV  16  -3.932  -1.030  -3.339
  118    HN2  MVA  16           HM2      MEV  16  -2.548  -0.024  -3.765
  119    HN3  MVA  16           HM3      MEV  16  -4.162   0.411  -4.328
  120    HA   MVA  16           HA       MEV  16  -2.949   2.131  -0.947
  121    HB   MVA  16           HB       MEV  16  -3.015   0.006   0.218
  122   HG11  MVA  16          HG11      MEV  16  -2.628  -1.553  -1.592
  123   HG12  MVA  16          HG12      MEV  16  -1.454  -1.802  -0.299
  124   HG13  MVA  16          HG13      MEV  16  -0.975  -0.960  -1.774
  125   HG21  MVA  16          HG21      MEV  16  -1.367   1.669   0.869
  126   HG22  MVA  16          HG22      MEV  16  -0.203   0.975  -0.260
  127   HG23  MVA  16          HG23      MEV  16  -0.752   0.037   1.129
  128    H    ARG  17           HN       ARG  17  -1.862   3.575  -1.940
  129    HA   ARG  17           HA       ARG  17   0.016   2.945  -4.051
  130    HB2  ARG  17           HB2      ARG  17  -1.250   4.946  -4.367
  131    HB3  ARG  17           HB1      ARG  17  -0.870   5.518  -2.750
  132    HG2  ARG  17           HG2      ARG  17   1.514   5.679  -3.443
  133    HG3  ARG  17           HG1      ARG  17   1.007   5.290  -5.086
  134    HD2  ARG  17           HD2      ARG  17  -0.030   7.627  -3.486
  135    HD3  ARG  17           HD1      ARG  17   1.280   7.733  -4.657
  136    HE   ARG  17           HE       ARG  17  -0.537   6.786  -6.246
  137   HH11  ARG  17          HH11      ARG  17  -2.412   9.833  -4.422
  138   HH12  ARG  17          HH12      ARG  17  -1.118   9.016  -3.601
  139   HH21  ARG  17          HH21      ARG  17  -2.253   7.865  -7.314
  140   HH22  ARG  17          HH22      ARG  17  -3.060   9.180  -6.519
  141    H    CYS  18           HN       CYS  18   1.931   2.157  -3.460
  142    HA   CYS  18           HA       CYS  18   3.113   2.831  -0.923
  143    HB2  CYS  18           HB2      CYS  18   5.046   1.462  -1.816
  144    HB3  CYS  18           HB1      CYS  18   3.508   0.612  -1.708
  145    H    ASP  19           HN       ASP  19   4.355   4.522  -0.532
  146    HA   ASP  19           HA       ASP  19   5.615   5.911  -2.800
  147    HB2  ASP  19           HB2      ASP  19   3.586   7.116  -2.001
  148    HB3  ASP  19           HB1      ASP  19   4.316   7.226  -0.403
  149    HA   DPR  20           HA       DPR  20   9.436   6.008  -0.535
  150    HB2  DPR  20           HB2      DPR  20  10.797   4.477  -1.527
  151    HB3  DPR  20           HB1      DPR  20   9.686   3.141  -1.215
  152    HG2  DPR  20           HG2      DPR  20   9.642   5.160  -3.422
  153    HG3  DPR  20           HG1      DPR  20   9.336   3.413  -3.492
  154    HD2  DPR  20           HD2      DPR  20   7.335   5.211  -3.490
  155    HD3  DPR  20           HD1      DPR  20   7.176   3.634  -2.691
  156    HA   PRO  21           HA       PRO  21   9.163   3.597   3.237
  157    HB2  PRO  21           HB2      PRO  21   9.416   5.625   4.957
  158    HB3  PRO  21           HB1      PRO  21  10.779   5.084   3.971
  159    HG2  PRO  21           HG2      PRO  21   8.945   7.409   3.541
  160    HG3  PRO  21           HG1      PRO  21  10.710   7.344   3.400
  161    HD2  PRO  21           HD2      PRO  21   9.023   7.175   1.258
  162    HD3  PRO  21           HD1      PRO  21  10.632   6.432   1.297
  163    H    ARG  22           HN       ARG  22   6.900   5.743   1.961
  164    HA   ARG  22           HA       ARG  22   5.053   5.305   4.225
  165    HB2  ARG  22           HB2      ARG  22   4.988   7.553   2.200
  166    HB3  ARG  22           HB1      ARG  22   3.922   7.366   3.584
  167    HG2  ARG  22           HG2      ARG  22   6.889   7.851   3.708
  168    HG3  ARG  22           HG1      ARG  22   5.634   9.060   3.972
  169    HD2  ARG  22           HD2      ARG  22   6.022   6.564   5.626
  170    HD3  ARG  22           HD1      ARG  22   6.578   8.174   6.076
  171    HE   ARG  22           HE       ARG  22   3.747   7.981   5.524
  172   HH11  ARG  22          HH11      ARG  22   6.252   7.762   7.956
  173   HH12  ARG  22          HH12      ARG  22   5.173   8.075   9.279
  174   HH21  ARG  22          HH21      ARG  22   2.934   8.455   8.878
  175   HH22  ARG  22          HH22      ARG  22   2.324   8.411   7.256
  176    H    TYR  23           HN       TYR  23   2.689   5.460   3.414
  177    HA   TYR  23           HA       TYR  23   2.244   4.743   0.674
  178    HB2  TYR  23           HB2      TYR  23   1.147   2.608   1.109
  179    HB3  TYR  23           HB1      TYR  23   2.834   2.552   1.591
  180    HD1  TYR  23           HD1      TYR  23  -0.628   2.463   2.745
  181    HD2  TYR  23           HD2      TYR  23   3.451   2.399   3.942
  182    HE1  TYR  23           HE1      TYR  23  -1.302   1.693   4.979
  183    HE2  TYR  23           HE2      TYR  23   2.791   1.629   6.176
  184    HH   TYR  23           HH       TYR  23   0.878   1.643   7.630
  185    H    GLU  24           HN       GLU  24   0.051   4.793   0.088
  186    HA   GLU  24           HA       GLU  24  -1.682   6.080   2.087
  187    HB2  GLU  24           HB2      GLU  24  -1.716   6.500  -0.905
  188    HB3  GLU  24           HB1      GLU  24  -2.712   7.334   0.277
  189    HG2  GLU  24           HG2      GLU  24  -0.641   8.278   1.270
  190    HG3  GLU  24           HG1      GLU  24   0.269   7.549  -0.052
  191    HN1  MVA  25           HM1      MEV  25  -4.571   5.163   3.414
  192    HN2  MVA  25           HM2      MEV  25  -3.633   6.371   2.536
  193    HN3  MVA  25           HM3      MEV  25  -2.815   5.179   3.550
  194    HA   MVA  25           HA       MEV  25  -4.446   2.974   0.526
  195    HB   MVA  25           HB       MEV  25  -3.247   1.740   2.235
  196   HG11  MVA  25          HG11      MEV  25  -5.235   2.887   4.183
  197   HG12  MVA  25          HG12      MEV  25  -3.488   3.140   4.172
  198   HG13  MVA  25          HG13      MEV  25  -4.146   1.542   4.523
  199   HG21  MVA  25          HG21      MEV  25  -5.105   0.666   1.130
  200   HG22  MVA  25          HG22      MEV  25  -6.229   1.329   2.315
  201   HG23  MVA  25          HG23      MEV  25  -5.024   0.140   2.811
  202    H    HIS  26           HN       HIS  26  -6.406   3.112  -0.106
  203    HA   HIS  26           HA       HIS  26  -8.381   4.430   1.634
  204    HB2  HIS  26           HB2      HIS  26  -8.062   4.798  -1.350
  205    HB3  HIS  26           HB1      HIS  26  -9.351   5.486  -0.373
  206    HD1  HIS  26           HD1      HIS  26  -8.853   7.631   0.885
  207    HD2  HIS  26           HD2      HIS  26  -5.491   5.966  -0.904
  208    HE1  HIS  26           HE1      HIS  26  -7.041   9.359   1.110
  209    HE2  HIS  26           HE2      HIS  26  -5.057   8.386  -0.101
  210    H    CYS  27           HN       CYS  27 -10.219   3.341   1.893
  211    HA   CYS  27           HA       CYS  27 -10.603   0.909   0.310
  212    HB2  CYS  27           HB2      CYS  27 -11.866   1.774   2.916
  213    HB3  CYS  27           HB1      CYS  27 -12.129   0.229   2.117
  214    HN1  NH2  28           HN1      NH2  28 -11.306   2.462  -1.426
  215    HN2  NH2  28           HN2      NH2  28 -12.985   2.862  -1.478
  Start of MODEL    6
    1    H1   ASN   1           HT1      ASN   1   9.183 -10.883  -4.576
    2    H2   ASN   1           HT2      ASN   1   7.650 -10.506  -5.180
    3    H3   ASN   1           HT3      ASN   1   7.902 -11.969  -4.371
    4    HA   ASN   1           HA       ASN   1   6.748 -10.386  -2.975
    5    HB2  ASN   1           HB2      ASN   1   9.597 -11.006  -2.140
    6    HB3  ASN   1           HB1      ASN   1   8.339 -10.458  -1.037
    7   HD21  ASN   1          HD21      ASN   1   6.774 -11.870  -0.374
    8   HD22  ASN   1          HD22      ASN   1   6.821 -13.565  -0.720
    9    H    ASP   2           HN       ASP   2   6.556  -8.323  -2.150
   10    HA   ASP   2           HA       ASP   2   8.666  -6.393  -2.395
   11    HB2  ASP   2           HB2      ASP   2   7.847  -6.464  -4.729
   12    HB3  ASP   2           HB1      ASP   2   6.224  -6.096  -4.160
   13    H    AIB   3           HN       AIB   3   8.205  -4.473  -1.285
   14   HB11  AIB   3          HB11      AIB   3   8.433  -3.002   0.686
   15   HB12  AIB   3          HB12      AIB   3   6.943  -2.176   1.139
   16   HB13  AIB   3          HB13      AIB   3   7.495  -2.142  -0.534
   17   HB21  AIB   3          HB21      AIB   3   6.066  -5.733   1.187
   18   HB22  AIB   3          HB22      AIB   3   6.069  -4.236   2.119
   19   HB23  AIB   3          HB23      AIB   3   7.594  -5.018   1.701
   20    H    CYS   4           HN       CYS   4   5.958  -3.044  -2.165
   21    HA   CYS   4           HA       CYS   4   3.468  -1.920  -1.457
   22    HB2  CYS   4           HB2      CYS   4   4.378  -2.689  -4.232
   23    HB3  CYS   4           HB1      CYS   4   3.198  -1.462  -3.801
   24    H    LYS   5           HN       LYS   5   4.388  -4.969  -2.960
   25    HA   LYS   5           HA       LYS   5   1.755  -5.782  -3.621
   26    HB2  LYS   5           HB2      LYS   5   3.815  -6.717  -4.663
   27    HB3  LYS   5           HB1      LYS   5   4.181  -7.522  -3.145
   28    HG2  LYS   5           HG2      LYS   5   3.181  -9.078  -4.703
   29    HG3  LYS   5           HG1      LYS   5   2.099  -8.809  -3.336
   30    HD2  LYS   5           HD2      LYS   5   0.777  -7.255  -4.669
   31    HD3  LYS   5           HD1      LYS   5   1.878  -7.470  -6.031
   32    HE2  LYS   5           HE2      LYS   5   1.281  -9.833  -6.149
   33    HE3  LYS   5           HE1      LYS   5   0.207  -9.637  -4.764
   34    HZ1  LYS   5           HZ1      LYS   5  -1.167  -8.157  -6.040
   35    HZ2  LYS   5           HZ2      LYS   5  -0.970  -9.598  -6.898
   36    HZ3  LYS   5           HZ3      LYS   5  -0.106  -8.221  -7.355
   37    H    AIB   6           HN       AIB   6   3.862  -6.365  -0.860
   38   HB11  AIB   6          HB11      AIB   6   4.605  -7.602   1.168
   39   HB12  AIB   6          HB12      AIB   6   3.526  -7.395   2.548
   40   HB13  AIB   6          HB13      AIB   6   4.084  -5.987   1.647
   41   HB21  AIB   6          HB21      AIB   6   3.006  -9.193   0.275
   42   HB22  AIB   6          HB22      AIB   6   1.347  -8.713  -0.072
   43   HB23  AIB   6          HB23      AIB   6   1.877  -8.909   1.598
   44    H    LEU   7           HN       LEU   7   2.371  -4.608   0.532
   45    HA   LEU   7           HA       LEU   7   0.394  -4.177   2.489
   46    HB2  LEU   7           HB2      LEU   7   1.145  -2.446   0.137
   47    HB3  LEU   7           HB1      LEU   7   0.181  -1.926   1.503
   48    HG   LEU   7           HG       LEU   7   3.070  -2.801   1.645
   49   HD11  LEU   7          HD11      LEU   7   1.835  -0.058   1.823
   50   HD12  LEU   7          HD12      LEU   7   2.796  -0.674   0.479
   51   HD13  LEU   7          HD13      LEU   7   3.539  -0.444   2.062
   52   HD21  LEU   7          HD21      LEU   7   1.867  -3.274   3.708
   53   HD22  LEU   7          HD22      LEU   7   1.241  -1.626   3.736
   54   HD23  LEU   7          HD23      LEU   7   2.968  -1.915   3.934
   55    H    LYS   8           HN       LYS   8   0.194  -4.476  -1.031
   56    HA   LYS   8           HA       LYS   8  -2.527  -3.925  -1.334
   57    HB2  LYS   8           HB2      LYS   8  -0.780  -5.820  -2.917
   58    HB3  LYS   8           HB1      LYS   8  -2.389  -5.311  -3.407
   59    HG2  LYS   8           HG2      LYS   8  -1.646  -3.018  -3.599
   60    HG3  LYS   8           HG1      LYS   8  -0.046  -3.460  -3.001
   61    HD2  LYS   8           HD2      LYS   8   0.179  -4.997  -4.956
   62    HD3  LYS   8           HD1      LYS   8  -1.343  -4.350  -5.570
   63    HE2  LYS   8           HE2      LYS   8   1.126  -2.717  -4.994
   64    HE3  LYS   8           HE1      LYS   8   0.644  -3.290  -6.590
   65    HZ1  LYS   8           HZ1      LYS   8  -1.347  -1.977  -6.455
   66    HZ2  LYS   8           HZ2      LYS   8  -0.013  -0.980  -6.164
   67    HZ3  LYS   8           HZ3      LYS   8  -0.982  -1.489  -4.879
   68    H    AIB   9           HN       AIB   9  -0.901  -7.039  -0.887
   69   HB11  AIB   9          HB11      AIB   9  -0.543  -9.053   0.613
   70   HB12  AIB   9          HB12      AIB   9  -0.875  -9.505  -1.059
   71   HB13  AIB   9          HB13      AIB   9  -1.719 -10.317   0.260
   72   HB21  AIB   9          HB21      AIB   9  -3.049  -9.082  -2.033
   73   HB22  AIB   9          HB22      AIB   9  -4.264  -8.141  -1.169
   74   HB23  AIB   9          HB23      AIB   9  -3.888  -9.784  -0.652
   75    H    ARG  10           HN       ARG  10  -1.481  -6.827   1.656
   76    HA   ARG  10           HA       ARG  10  -2.700  -7.962   3.931
   77    HB2  ARG  10           HB2      ARG  10  -0.579  -6.720   3.982
   78    HB3  ARG  10           HB1      ARG  10  -1.436  -5.240   3.575
   79    HG2  ARG  10           HG2      ARG  10  -2.676  -5.384   5.673
   80    HG3  ARG  10           HG1      ARG  10  -1.795  -6.857   6.089
   81    HD2  ARG  10           HD2      ARG  10  -0.596  -4.123   5.639
   82    HD3  ARG  10           HD1      ARG  10  -0.819  -4.916   7.197
   83    HE   ARG  10           HE       ARG  10   0.705  -6.646   5.667
   84   HH11  ARG  10          HH11      ARG  10   2.745  -3.457   7.006
   85   HH12  ARG  10          HH12      ARG  10   1.011  -3.415   6.979
   86   HH21  ARG  10          HH21      ARG  10   2.973  -6.716   5.732
   87   HH22  ARG  10          HH22      ARG  10   3.862  -5.341   6.309
   88    H    TYR  11           HN       TYR  11  -3.518  -5.147   1.953
   89    HA   TYR  11           HA       TYR  11  -5.668  -4.468   3.787
   90    HB2  TYR  11           HB2      TYR  11  -4.518  -3.062   1.387
   91    HB3  TYR  11           HB1      TYR  11  -5.959  -2.497   2.231
   92    HD1  TYR  11           HD1      TYR  11  -5.782  -1.875   4.670
   93    HD2  TYR  11           HD2      TYR  11  -2.375  -2.647   2.248
   94    HE1  TYR  11           HE1      TYR  11  -4.366  -0.689   6.289
   95    HE2  TYR  11           HE2      TYR  11  -0.950  -1.469   3.861
   96    HH   TYR  11           HH       TYR  11  -1.255   0.333   5.594
   97    H    AIB  12           HN       AIB  12  -5.384  -6.595   1.402
   98   HB11  AIB  12          HB11      AIB  12  -6.945  -8.690   2.166
   99   HB12  AIB  12          HB12      AIB  12  -8.501  -8.821   1.345
  100   HB13  AIB  12          HB13      AIB  12  -8.276  -7.629   2.627
  101   HB21  AIB  12          HB21      AIB  12  -7.508  -8.527  -0.817
  102   HB22  AIB  12          HB22      AIB  12  -5.943  -8.522  -0.007
  103   HB23  AIB  12          HB23      AIB  12  -6.365  -7.220  -1.116
  104    H    GLY  13           HN       GLY  13  -7.511  -5.467  -1.190
  105    HA2  GLY  13           HA2      GLY  13  -9.683  -5.235  -2.376
  106    HA3  GLY  13           HA1      GLY  13 -10.415  -5.114  -0.788
  107    H    CYS  14           HN       CYS  14  -8.241  -3.417   0.249
  108    HA   CYS  14           HA       CYS  14  -9.295  -0.902  -0.689
  109    HB2  CYS  14           HB2      CYS  14  -6.970  -1.313   1.182
  110    HB3  CYS  14           HB1      CYS  14  -7.985   0.110   1.040
  111    H    GLU  15           HN       GLU  15  -8.013   0.803  -1.580
  112    HA   GLU  15           HA       GLU  15  -5.963  -0.198  -3.384
  113    HB2  GLU  15           HB2      GLU  15  -7.312   2.499  -3.166
  114    HB3  GLU  15           HB1      GLU  15  -6.070   2.115  -4.347
  115    HG2  GLU  15           HG2      GLU  15  -7.551   0.298  -5.201
  116    HG3  GLU  15           HG1      GLU  15  -8.809   0.901  -4.124
  117    HN1  MVA  16           HM1      MEV  16  -2.662  -0.263  -3.694
  118    HN2  MVA  16           HM2      MEV  16  -4.216   0.253  -4.351
  119    HN3  MVA  16           HM3      MEV  16  -4.138  -1.109  -3.231
  120    HA   MVA  16           HA       MEV  16  -3.006   2.153  -1.048
  121    HB   MVA  16           HB       MEV  16  -3.056   0.053   0.172
  122   HG11  MVA  16          HG11      MEV  16  -1.023  -0.948  -1.806
  123   HG12  MVA  16          HG12      MEV  16  -2.670  -1.547  -1.601
  124   HG13  MVA  16          HG13      MEV  16  -1.489  -1.754  -0.307
  125   HG21  MVA  16          HG21      MEV  16  -1.403   1.760   0.737
  126   HG22  MVA  16          HG22      MEV  16  -0.243   0.993  -0.351
  127   HG23  MVA  16          HG23      MEV  16  -0.812   0.134   1.081
  128    H    ARG  17           HN       ARG  17  -1.856   3.556  -1.978
  129    HA   ARG  17           HA       ARG  17  -0.020   2.872  -4.138
  130    HB2  ARG  17           HB2      ARG  17  -1.424   4.817  -4.480
  131    HB3  ARG  17           HB1      ARG  17  -0.900   5.510  -2.954
  132    HG2  ARG  17           HG2      ARG  17   1.430   5.544  -3.914
  133    HG3  ARG  17           HG1      ARG  17   0.692   5.155  -5.468
  134    HD2  ARG  17           HD2      ARG  17  -0.654   7.182  -5.361
  135    HD3  ARG  17           HD1      ARG  17   0.006   7.556  -3.770
  136    HE   ARG  17           HE       ARG  17   1.740   7.392  -6.150
  137   HH11  ARG  17          HH11      ARG  17   1.667  10.452  -3.535
  138   HH12  ARG  17          HH12      ARG  17   0.538   9.142  -3.343
  139   HH21  ARG  17          HH21      ARG  17   3.224   9.113  -6.374
  140   HH22  ARG  17          HH22      ARG  17   3.195  10.427  -5.244
  141    H    CYS  18           HN       CYS  18   2.037   2.391  -3.636
  142    HA   CYS  18           HA       CYS  18   3.023   3.147  -1.008
  143    HB2  CYS  18           HB2      CYS  18   4.933   1.662  -1.539
  144    HB3  CYS  18           HB1      CYS  18   3.377   0.845  -1.658
  145    H    ASP  19           HN       ASP  19   4.481   4.662  -0.634
  146    HA   ASP  19           HA       ASP  19   5.845   5.909  -2.922
  147    HB2  ASP  19           HB2      ASP  19   3.984   7.321  -2.006
  148    HB3  ASP  19           HB1      ASP  19   4.828   7.345  -0.462
  149    HA   DPR  20           HA       DPR  20   9.675   5.476  -0.657
  150    HB2  DPR  20           HB2      DPR  20  10.866   3.894  -1.784
  151    HB3  DPR  20           HB1      DPR  20   9.609   2.669  -1.589
  152    HG2  DPR  20           HG2      DPR  20   9.818   4.859  -3.615
  153    HG3  DPR  20           HG1      DPR  20   9.317   3.171  -3.834
  154    HD2  DPR  20           HD2      DPR  20   7.533   5.176  -3.686
  155    HD3  DPR  20           HD1      DPR  20   7.187   3.568  -3.020
  156    HA   PRO  21           HA       PRO  21   8.941   2.762   2.856
  157    HB2  PRO  21           HB2      PRO  21   9.621   4.477   4.768
  158    HB3  PRO  21           HB1      PRO  21  10.843   3.829   3.667
  159    HG2  PRO  21           HG2      PRO  21   9.456   6.480   3.596
  160    HG3  PRO  21           HG1      PRO  21  11.175   6.117   3.368
  161    HD2  PRO  21           HD2      PRO  21   9.396   6.506   1.307
  162    HD3  PRO  21           HD1      PRO  21  10.882   5.549   1.168
  163    H    ARG  22           HN       ARG  22   7.040   5.199   1.707
  164    HA   ARG  22           HA       ARG  22   5.186   5.016   3.995
  165    HB2  ARG  22           HB2      ARG  22   5.337   7.198   1.906
  166    HB3  ARG  22           HB1      ARG  22   4.226   7.147   3.267
  167    HG2  ARG  22           HG2      ARG  22   6.217   7.208   4.781
  168    HG3  ARG  22           HG1      ARG  22   7.211   7.491   3.350
  169    HD2  ARG  22           HD2      ARG  22   6.735   9.616   4.335
  170    HD3  ARG  22           HD1      ARG  22   5.795   9.485   2.851
  171    HE   ARG  22           HE       ARG  22   4.508   8.810   5.399
  172   HH11  ARG  22          HH11      ARG  22   4.797  10.954   2.650
  173   HH12  ARG  22          HH12      ARG  22   3.334  11.812   3.003
  174   HH21  ARG  22          HH21      ARG  22   2.076  11.238   4.837
  175   HH22  ARG  22          HH22      ARG  22   2.580   9.934   5.863
  176    H    TYR  23           HN       TYR  23   2.835   5.339   3.240
  177    HA   TYR  23           HA       TYR  23   2.241   4.607   0.532
  178    HB2  TYR  23           HB2      TYR  23   1.053   2.538   1.033
  179    HB3  TYR  23           HB1      TYR  23   2.750   2.403   1.464
  180    HD1  TYR  23           HD1      TYR  23  -0.672   2.446   2.705
  181    HD2  TYR  23           HD2      TYR  23   3.432   2.328   3.821
  182    HE1  TYR  23           HE1      TYR  23  -1.313   1.738   4.969
  183    HE2  TYR  23           HE2      TYR  23   2.801   1.623   6.085
  184    HH   TYR  23           HH       TYR  23   0.897   1.731   7.578
  185    H    GLU  24           HN       GLU  24   0.031   4.718   0.030
  186    HA   GLU  24           HA       GLU  24  -1.660   6.022   2.057
  187    HB2  GLU  24           HB2      GLU  24  -1.695   6.362  -0.947
  188    HB3  GLU  24           HB1      GLU  24  -2.802   7.134   0.172
  189    HG2  GLU  24           HG2      GLU  24  -0.947   8.351   1.178
  190    HG3  GLU  24           HG1      GLU  24   0.170   7.570   0.057
  191    HN1  MVA  25           HM1      MEV  25  -2.937   5.248   3.505
  192    HN2  MVA  25           HM2      MEV  25  -4.686   5.194   3.283
  193    HN3  MVA  25           HM3      MEV  25  -3.717   6.360   2.383
  194    HA   MVA  25           HA       MEV  25  -4.464   2.914   0.511
  195    HB   MVA  25           HB       MEV  25  -3.178   1.695   2.151
  196   HG11  MVA  25          HG11      MEV  25  -3.955   1.475   4.481
  197   HG12  MVA  25          HG12      MEV  25  -5.088   2.798   4.198
  198   HG13  MVA  25          HG13      MEV  25  -3.350   3.088   4.099
  199   HG21  MVA  25          HG21      MEV  25  -5.059   0.587   1.130
  200   HG22  MVA  25          HG22      MEV  25  -6.145   1.228   2.366
  201   HG23  MVA  25          HG23      MEV  25  -4.896   0.060   2.807
  202    H    HIS  26           HN       HIS  26  -6.388   3.182  -0.122
  203    HA   HIS  26           HA       HIS  26  -8.368   4.394   1.692
  204    HB2  HIS  26           HB2      HIS  26  -8.208   4.573  -1.325
  205    HB3  HIS  26           HB1      HIS  26  -9.468   5.283  -0.331
  206    HD1  HIS  26           HD1      HIS  26  -9.128   7.678   0.175
  207    HD2  HIS  26           HD2      HIS  26  -5.530   5.741  -0.591
  208    HE1  HIS  26           HE1      HIS  26  -7.370   9.474   0.229
  209    HE2  HIS  26           HE2      HIS  26  -5.198   8.288  -0.235
  210    H    CYS  27           HN       CYS  27  -9.932   3.034   2.267
  211    HA   CYS  27           HA       CYS  27 -10.414   0.650   0.655
  212    HB2  CYS  27           HB2      CYS  27 -11.444   1.363   3.408
  213    HB3  CYS  27           HB1      CYS  27 -11.673  -0.176   2.591
  214    HN1  NH2  28           HN1      NH2  28 -12.510   2.853   2.492
  215    HN2  NH2  28           HN2      NH2  28 -13.753   2.942   1.293
  Start of MODEL    7
    1    H1   ASN   1           HT1      ASN   1  10.018 -10.359  -4.197
    2    H2   ASN   1           HT2      ASN   1   9.337  -9.491  -5.473
    3    H3   ASN   1           HT3      ASN   1   8.792 -11.054  -5.132
    4    HA   ASN   1           HA       ASN   1   7.220  -9.421  -4.352
    5    HB2  ASN   1           HB2      ASN   1   7.570 -11.566  -3.099
    6    HB3  ASN   1           HB1      ASN   1   8.706 -10.722  -2.051
    7   HD21  ASN   1          HD21      ASN   1   7.471 -11.115  -0.225
    8   HD22  ASN   1          HD22      ASN   1   5.979 -10.290   0.077
    9    H    ASP   2           HN       ASP   2   6.755  -7.622  -3.007
   10    HA   ASP   2           HA       ASP   2   9.075  -6.130  -2.013
   11    HB2  ASP   2           HB2      ASP   2   8.526  -5.354  -4.333
   12    HB3  ASP   2           HB1      ASP   2   6.924  -4.910  -3.758
   13    H    AIB   3           HN       AIB   3   8.532  -4.496  -0.470
   14   HB11  AIB   3          HB11      AIB   3   6.960  -2.770   2.242
   15   HB12  AIB   3          HB12      AIB   3   7.697  -2.359   0.694
   16   HB13  AIB   3          HB13      AIB   3   8.504  -3.485   1.784
   17   HB21  AIB   3          HB21      AIB   3   7.593  -5.645   2.226
   18   HB22  AIB   3          HB22      AIB   3   6.180  -6.246   1.363
   19   HB23  AIB   3          HB23      AIB   3   5.995  -5.004   2.601
   20    H    CYS   4           HN       CYS   4   6.373  -3.002  -1.354
   21    HA   CYS   4           HA       CYS   4   3.819  -1.964  -0.839
   22    HB2  CYS   4           HB2      CYS   4   5.230  -0.966  -2.514
   23    HB3  CYS   4           HB1      CYS   4   5.262  -2.459  -3.440
   24    H    LYS   5           HN       LYS   5   4.841  -4.880  -2.570
   25    HA   LYS   5           HA       LYS   5   2.265  -5.559  -3.516
   26    HB2  LYS   5           HB2      LYS   5   4.400  -6.474  -4.445
   27    HB3  LYS   5           HB1      LYS   5   4.583  -7.433  -2.981
   28    HG2  LYS   5           HG2      LYS   5   2.471  -8.588  -3.498
   29    HG3  LYS   5           HG1      LYS   5   2.344  -7.652  -4.987
   30    HD2  LYS   5           HD2      LYS   5   4.504  -8.603  -5.722
   31    HD3  LYS   5           HD1      LYS   5   4.526  -9.605  -4.270
   32    HE2  LYS   5           HE2      LYS   5   2.436  -9.661  -6.445
   33    HE3  LYS   5           HE1      LYS   5   3.707 -10.856  -6.200
   34    HZ1  LYS   5           HZ1      LYS   5   2.732 -11.370  -4.037
   35    HZ2  LYS   5           HZ2      LYS   5   1.624 -11.624  -5.289
   36    HZ3  LYS   5           HZ3      LYS   5   1.495 -10.250  -4.314
   37    H    AIB   6           HN       AIB   6   4.118  -6.489  -0.664
   38   HB11  AIB   6          HB11      AIB   6   4.612  -7.934   1.309
   39   HB12  AIB   6          HB12      AIB   6   3.428  -7.769   2.604
   40   HB13  AIB   6          HB13      AIB   6   4.134  -6.331   1.868
   41   HB21  AIB   6          HB21      AIB   6   1.455  -8.781  -0.296
   42   HB22  AIB   6          HB22      AIB   6   1.828  -9.134   1.393
   43   HB23  AIB   6          HB23      AIB   6   3.063  -9.353   0.152
   44    H    LEU   7           HN       LEU   7   2.553  -4.781   0.733
   45    HA   LEU   7           HA       LEU   7   0.441  -4.461   2.585
   46    HB2  LEU   7           HB2      LEU   7   1.468  -2.500   0.538
   47    HB3  LEU   7           HB1      LEU   7   0.436  -2.106   1.895
   48    HG   LEU   7           HG       LEU   7   3.265  -3.141   2.095
   49   HD11  LEU   7          HD11      LEU   7   3.181  -0.866   1.256
   50   HD12  LEU   7          HD12      LEU   7   3.771  -0.889   2.917
   51   HD13  LEU   7          HD13      LEU   7   2.110  -0.403   2.579
   52   HD21  LEU   7          HD21      LEU   7   1.927  -3.865   3.986
   53   HD22  LEU   7          HD22      LEU   7   1.333  -2.221   4.219
   54   HD23  LEU   7          HD23      LEU   7   3.037  -2.589   4.482
   55    H    LYS   8           HN       LYS   8   0.545  -4.397  -0.949
   56    HA   LYS   8           HA       LYS   8  -2.129  -3.652  -1.344
   57    HB2  LYS   8           HB2      LYS   8  -0.219  -5.222  -3.062
   58    HB3  LYS   8           HB1      LYS   8  -1.855  -4.848  -3.586
   59    HG2  LYS   8           HG2      LYS   8  -1.354  -2.445  -3.346
   60    HG3  LYS   8           HG1      LYS   8   0.301  -2.856  -2.899
   61    HD2  LYS   8           HD2      LYS   8   0.635  -3.922  -5.066
   62    HD3  LYS   8           HD1      LYS   8  -1.034  -3.566  -5.511
   63    HE2  LYS   8           HE2      LYS   8   1.082  -1.507  -4.881
   64    HE3  LYS   8           HE1      LYS   8   0.576  -1.979  -6.501
   65    HZ1  LYS   8           HZ1      LYS   8  -0.543   0.025  -5.889
   66    HZ2  LYS   8           HZ2      LYS   8  -1.093  -0.641  -4.438
   67    HZ3  LYS   8           HZ3      LYS   8  -1.688  -1.220  -5.912
   68    H    AIB   9           HN       AIB   9  -0.633  -6.852  -1.123
   69   HB11  AIB   9          HB11      AIB   9  -0.647  -9.315  -1.470
   70   HB12  AIB   9          HB12      AIB   9  -1.668 -10.181  -0.323
   71   HB13  AIB   9          HB13      AIB   9  -0.511  -8.986   0.258
   72   HB21  AIB   9          HB21      AIB   9  -3.698  -9.507  -1.459
   73   HB22  AIB   9          HB22      AIB   9  -2.670  -8.745  -2.672
   74   HB23  AIB   9          HB23      AIB   9  -3.955  -7.818  -1.898
   75    H    ARG  10           HN       ARG  10  -1.497  -6.861   1.386
   76    HA   ARG  10           HA       ARG  10  -3.208  -8.014   3.330
   77    HB2  ARG  10           HB2      ARG  10  -1.045  -6.995   3.902
   78    HB3  ARG  10           HB1      ARG  10  -1.654  -5.418   3.416
   79    HG2  ARG  10           HG2      ARG  10  -3.340  -5.547   5.198
   80    HG3  ARG  10           HG1      ARG  10  -2.661  -7.091   5.707
   81    HD2  ARG  10           HD2      ARG  10  -1.158  -4.476   5.622
   82    HD3  ARG  10           HD1      ARG  10  -1.874  -5.181   7.068
   83    HE   ARG  10           HE       ARG  10   0.168  -6.680   5.567
   84   HH11  ARG  10          HH11      ARG  10   0.463  -5.668   9.447
   85   HH12  ARG  10          HH12      ARG  10  -0.896  -5.117   8.523
   86   HH21  ARG  10          HH21      ARG  10   2.072  -6.986   8.468
   87   HH22  ARG  10          HH22      ARG  10   1.933  -7.424   6.795
   88    H    TYR  11           HN       TYR  11  -3.361  -5.062   1.426
   89    HA   TYR  11           HA       TYR  11  -5.888  -4.332   2.723
   90    HB2  TYR  11           HB2      TYR  11  -3.979  -2.745   1.003
   91    HB3  TYR  11           HB1      TYR  11  -5.523  -2.132   1.576
   92    HD1  TYR  11           HD1      TYR  11  -5.886  -1.971   4.090
   93    HD2  TYR  11           HD2      TYR  11  -2.066  -2.616   2.338
   94    HE1  TYR  11           HE1      TYR  11  -4.817  -1.235   6.171
   95    HE2  TYR  11           HE2      TYR  11  -0.982  -1.882   4.417
   96    HH   TYR  11           HH       TYR  11  -1.420  -0.613   6.375
   97    H    AIB  12           HN       AIB  12  -5.902  -6.481   0.918
   98   HB11  AIB  12          HB11      AIB  12  -7.754  -8.087  -1.677
   99   HB12  AIB  12          HB12      AIB  12  -7.726  -8.064   0.086
  100   HB13  AIB  12          HB13      AIB  12  -6.217  -8.189  -0.819
  101   HB21  AIB  12          HB21      AIB  12  -5.409  -6.298  -2.137
  102   HB22  AIB  12          HB22      AIB  12  -6.325  -4.792  -2.187
  103   HB23  AIB  12          HB23      AIB  12  -6.968  -6.242  -2.959
  104    H    GLY  13           HN       GLY  13  -8.483  -5.567   1.202
  105    HA2  GLY  13           HA2      GLY  13 -10.980  -5.216  -0.221
  106    HA3  GLY  13           HA1      GLY  13 -10.730  -5.028   1.506
  107    H    CYS  14           HN       CYS  14  -8.363  -3.300   0.085
  108    HA   CYS  14           HA       CYS  14  -9.950  -0.847  -0.190
  109    HB2  CYS  14           HB2      CYS  14  -7.364  -1.066   1.364
  110    HB3  CYS  14           HB1      CYS  14  -8.353   0.373   1.180
  111    H    GLU  15           HN       GLU  15  -8.120   0.939  -0.875
  112    HA   GLU  15           HA       GLU  15  -6.495  -0.322  -2.982
  113    HB2  GLU  15           HB2      GLU  15  -7.752   2.427  -2.902
  114    HB3  GLU  15           HB1      GLU  15  -6.628   1.890  -4.142
  115    HG2  GLU  15           HG2      GLU  15  -8.202   0.125  -4.786
  116    HG3  GLU  15           HG1      GLU  15  -9.332   0.707  -3.566
  117    HN1  MVA  16           HM1      MEV  16  -4.664  -1.222  -2.945
  118    HN2  MVA  16           HM2      MEV  16  -3.203  -0.433  -3.541
  119    HN3  MVA  16           HM3      MEV  16  -4.784   0.072  -4.135
  120    HA   MVA  16           HA       MEV  16  -3.343   2.160  -1.050
  121    HB   MVA  16           HB       MEV  16  -3.378   0.185   0.347
  122   HG11  MVA  16          HG11      MEV  16  -3.169  -1.585  -1.275
  123   HG12  MVA  16          HG12      MEV  16  -1.886  -1.714  -0.071
  124   HG13  MVA  16          HG13      MEV  16  -1.531  -1.063  -1.671
  125   HG21  MVA  16          HG21      MEV  16  -1.051   0.220   1.087
  126   HG22  MVA  16          HG22      MEV  16  -1.634   1.840   0.700
  127   HG23  MVA  16          HG23      MEV  16  -0.582   0.988  -0.431
  128    H    ARG  17           HN       ARG  17  -2.128   3.440  -2.067
  129    HA   ARG  17           HA       ARG  17  -0.459   2.544  -4.286
  130    HB2  ARG  17           HB2      ARG  17  -1.063   5.278  -3.154
  131    HB3  ARG  17           HB1      ARG  17   0.051   5.001  -4.483
  132    HG2  ARG  17           HG2      ARG  17  -1.726   4.140  -5.859
  133    HG3  ARG  17           HG1      ARG  17  -2.861   4.253  -4.512
  134    HD2  ARG  17           HD2      ARG  17  -3.109   6.127  -6.084
  135    HD3  ARG  17           HD1      ARG  17  -2.632   6.664  -4.476
  136    HE   ARG  17           HE       ARG  17  -0.315   6.326  -6.016
  137   HH11  ARG  17          HH11      ARG  17  -2.329   9.761  -6.539
  138   HH12  ARG  17          HH12      ARG  17  -3.132   8.391  -5.837
  139   HH21  ARG  17          HH21      ARG  17   0.753   8.129  -6.925
  140   HH22  ARG  17          HH22      ARG  17  -0.119   9.615  -7.147
  141    H    CYS  18           HN       CYS  18   1.822   2.866  -4.278
  142    HA   CYS  18           HA       CYS  18   2.933   3.268  -1.591
  143    HB2  CYS  18           HB2      CYS  18   4.560   1.436  -2.097
  144    HB3  CYS  18           HB1      CYS  18   2.890   0.902  -1.928
  145    H    ASP  19           HN       ASP  19   4.695   4.466  -1.448
  146    HA   ASP  19           HA       ASP  19   6.242   5.022  -3.882
  147    HB2  ASP  19           HB2      ASP  19   4.889   7.009  -3.034
  148    HB3  ASP  19           HB1      ASP  19   5.909   6.974  -1.599
  149    HA   DPR  20           HA       DPR  20   9.897   3.864  -1.561
  150    HB2  DPR  20           HB2      DPR  20  10.763   2.124  -2.741
  151    HB3  DPR  20           HB1      DPR  20   9.300   1.155  -2.562
  152    HG2  DPR  20           HG2      DPR  20   9.925   3.281  -4.568
  153    HG3  DPR  20           HG1      DPR  20   9.100   1.729  -4.798
  154    HD2  DPR  20           HD2      DPR  20   7.746   4.037  -4.641
  155    HD3  DPR  20           HD1      DPR  20   7.093   2.532  -3.964
  156    HA   PRO  21           HA       PRO  21   8.523   1.282   1.860
  157    HB2  PRO  21           HB2      PRO  21   9.335   2.878   3.844
  158    HB3  PRO  21           HB1      PRO  21  10.492   1.984   2.853
  159    HG2  PRO  21           HG2      PRO  21   9.672   4.854   2.678
  160    HG3  PRO  21           HG1      PRO  21  11.293   4.149   2.561
  161    HD2  PRO  21           HD2      PRO  21   9.781   4.881   0.394
  162    HD3  PRO  21           HD1      PRO  21  11.034   3.628   0.345
  163    H    ARG  22           HN       ARG  22   7.308   4.292   0.870
  164    HA   ARG  22           HA       ARG  22   5.458   4.526   3.134
  165    HB2  ARG  22           HB2      ARG  22   6.068   6.401   0.843
  166    HB3  ARG  22           HB1      ARG  22   4.876   6.721   2.094
  167    HG2  ARG  22           HG2      ARG  22   6.590   6.749   3.785
  168    HG3  ARG  22           HG1      ARG  22   7.809   6.282   2.597
  169    HD2  ARG  22           HD2      ARG  22   7.887   8.683   3.072
  170    HD3  ARG  22           HD1      ARG  22   7.463   8.364   1.392
  171    HE   ARG  22           HE       ARG  22   5.083   8.628   2.815
  172   HH11  ARG  22          HH11      ARG  22   7.844  10.598   1.953
  173   HH12  ARG  22          HH12      ARG  22   6.945  12.080   1.948
  174   HH21  ARG  22          HH21      ARG  22   4.697  12.065   2.429
  175   HH22  ARG  22          HH22      ARG  22   3.898  10.572   2.809
  176    H    TYR  23           HN       TYR  23   3.171   4.917   2.700
  177    HA   TYR  23           HA       TYR  23   2.154   4.173   0.106
  178    HB2  TYR  23           HB2      TYR  23   0.874   2.253   0.876
  179    HB3  TYR  23           HB1      TYR  23   2.590   1.984   1.125
  180    HD1  TYR  23           HD1      TYR  23  -0.645   2.170   2.671
  181    HD2  TYR  23           HD2      TYR  23   3.533   2.238   3.458
  182    HE1  TYR  23           HE1      TYR  23  -1.088   1.659   5.031
  183    HE2  TYR  23           HE2      TYR  23   3.102   1.727   5.823
  184    HH   TYR  23           HH       TYR  23   1.263   1.967   7.451
  185    H    GLU  24           HN       GLU  24  -0.077   4.483  -0.130
  186    HA   GLU  24           HA       GLU  24  -1.449   5.851   2.081
  187    HB2  GLU  24           HB2      GLU  24  -1.594   6.492  -0.873
  188    HB3  GLU  24           HB1      GLU  24  -2.664   7.174   0.340
  189    HG2  GLU  24           HG2      GLU  24  -0.744   8.207   1.448
  190    HG3  GLU  24           HG1      GLU  24   0.319   7.534   0.212
  191    HN1  MVA  25           HM1      MEV  25  -2.604   5.000   3.594
  192    HN2  MVA  25           HM2      MEV  25  -4.362   5.125   3.540
  193    HN3  MVA  25           HM3      MEV  25  -3.368   6.281   2.657
  194    HA   MVA  25           HA       MEV  25  -4.506   2.993   0.613
  195    HB   MVA  25           HB       MEV  25  -3.308   1.655   2.234
  196   HG11  MVA  25          HG11      MEV  25  -3.353   3.008   4.214
  197   HG12  MVA  25          HG12      MEV  25  -4.110   1.454   4.565
  198   HG13  MVA  25          HG13      MEV  25  -5.109   2.885   4.308
  199   HG21  MVA  25          HG21      MEV  25  -5.140   0.151   2.862
  200   HG22  MVA  25          HG22      MEV  25  -5.289   0.732   1.205
  201   HG23  MVA  25          HG23      MEV  25  -6.300   1.422   2.474
  202    H    HIS  26           HN       HIS  26  -6.398   3.407   0.009
  203    HA   HIS  26           HA       HIS  26  -8.229   4.882   1.765
  204    HB2  HIS  26           HB2      HIS  26  -8.238   4.519  -1.237
  205    HB3  HIS  26           HB1      HIS  26  -9.464   5.390  -0.331
  206    HD1  HIS  26           HD1      HIS  26  -9.027   7.807   0.144
  207    HD2  HIS  26           HD2      HIS  26  -5.636   5.800  -1.177
  208    HE1  HIS  26           HE1      HIS  26  -7.298   9.590  -0.253
  209    HE2  HIS  26           HE2      HIS  26  -5.221   8.343  -0.945
  210    H    CYS  27           HN       CYS  27  -9.851   3.778   2.635
  211    HA   CYS  27           HA       CYS  27 -10.576   1.203   1.436
  212    HB2  CYS  27           HB2      CYS  27 -10.858   2.217   4.262
  213    HB3  CYS  27           HB1      CYS  27 -11.546   0.701   3.696
  214    HN1  NH2  28           HN1      NH2  28 -12.034   1.930  -0.056
  215    HN2  NH2  28           HN2      NH2  28 -13.547   2.647   0.365
  Start of MODEL    8
    1    H1   ASN   1           HT1      ASN   1   9.846 -11.531  -3.221
    2    H2   ASN   1           HT2      ASN   1   8.535 -11.356  -4.269
    3    H3   ASN   1           HT3      ASN   1   8.562 -12.631  -3.160
    4    HA   ASN   1           HA       ASN   1   7.068 -10.897  -2.441
    5    HB2  ASN   1           HB2      ASN   1   9.602 -11.240  -0.823
    6    HB3  ASN   1           HB1      ASN   1   8.156 -10.462  -0.191
    7   HD21  ASN   1          HD21      ASN   1   7.805 -11.976   1.382
    8   HD22  ASN   1          HD22      ASN   1   7.283 -13.589   1.035
    9    H    ASP   2           HN       ASP   2   6.788  -8.713  -1.700
   10    HA   ASP   2           HA       ASP   2   8.899  -6.796  -2.152
   11    HB2  ASP   2           HB2      ASP   2   7.980  -7.143  -4.439
   12    HB3  ASP   2           HB1      ASP   2   6.390  -6.688  -3.844
   13    H    AIB   3           HN       AIB   3   8.501  -4.857  -1.099
   14   HB11  AIB   3          HB11      AIB   3   7.894  -2.485  -0.440
   15   HB12  AIB   3          HB12      AIB   3   8.771  -3.317   0.842
   16   HB13  AIB   3          HB13      AIB   3   7.306  -2.413   1.221
   17   HB21  AIB   3          HB21      AIB   3   7.880  -5.271   1.898
   18   HB22  AIB   3          HB22      AIB   3   6.316  -5.937   1.426
   19   HB23  AIB   3          HB23      AIB   3   6.396  -4.408   2.301
   20    H    CYS   4           HN       CYS   4   6.290  -3.389  -2.027
   21    HA   CYS   4           HA       CYS   4   3.787  -2.252  -1.317
   22    HB2  CYS   4           HB2      CYS   4   5.139  -1.379  -3.166
   23    HB3  CYS   4           HB1      CYS   4   4.907  -2.881  -4.049
   24    H    LYS   5           HN       LYS   5   4.787  -5.320  -2.666
   25    HA   LYS   5           HA       LYS   5   2.197  -6.175  -3.451
   26    HB2  LYS   5           HB2      LYS   5   4.319  -7.203  -4.274
   27    HB3  LYS   5           HB1      LYS   5   4.562  -7.894  -2.676
   28    HG2  LYS   5           HG2      LYS   5   2.445  -9.142  -2.923
   29    HG3  LYS   5           HG1      LYS   5   2.286  -8.497  -4.559
   30    HD2  LYS   5           HD2      LYS   5   4.468  -9.536  -5.121
   31    HD3  LYS   5           HD1      LYS   5   4.494 -10.266  -3.515
   32    HE2  LYS   5           HE2      LYS   5   2.400 -10.720  -5.640
   33    HE3  LYS   5           HE1      LYS   5   3.683 -11.843  -5.192
   34    HZ1  LYS   5           HZ1      LYS   5   2.719 -11.967  -2.965
   35    HZ2  LYS   5           HZ2      LYS   5   1.617 -12.460  -4.146
   36    HZ3  LYS   5           HZ3      LYS   5   1.468 -10.932  -3.439
   37    H    AIB   6           HN       AIB   6   4.124  -6.557  -0.523
   38   HB11  AIB   6          HB11      AIB   6   3.529  -7.198   2.940
   39   HB12  AIB   6          HB12      AIB   6   4.168  -5.905   1.924
   40   HB13  AIB   6          HB13      AIB   6   4.703  -7.567   1.677
   41   HB21  AIB   6          HB21      AIB   6   1.567  -8.826   0.315
   42   HB22  AIB   6          HB22      AIB   6   1.949  -8.831   2.036
   43   HB23  AIB   6          HB23      AIB   6   3.191  -9.246   0.856
   44    H    LEU   7           HN       LEU   7   2.586  -4.640   0.692
   45    HA   LEU   7           HA       LEU   7   0.420  -4.091   2.417
   46    HB2  LEU   7           HB2      LEU   7   1.457  -2.460   0.103
   47    HB3  LEU   7           HB1      LEU   7   0.377  -1.874   1.347
   48    HG   LEU   7           HG       LEU   7   3.218  -2.795   1.798
   49   HD11  LEU   7          HD11      LEU   7   3.689  -0.440   2.201
   50   HD12  LEU   7          HD12      LEU   7   2.019  -0.031   1.812
   51   HD13  LEU   7          HD13      LEU   7   3.079  -0.686   0.565
   52   HD21  LEU   7          HD21      LEU   7   1.207  -1.555   3.671
   53   HD22  LEU   7          HD22      LEU   7   2.903  -1.856   4.047
   54   HD23  LEU   7          HD23      LEU   7   1.813  -3.209   3.742
   55    H    LYS   8           HN       LYS   8   0.609  -4.602  -1.056
   56    HA   LYS   8           HA       LYS   8  -2.032  -3.904  -1.689
   57    HB2  LYS   8           HB2      LYS   8  -0.136  -4.200  -3.303
   58    HB3  LYS   8           HB1      LYS   8  -0.297  -5.936  -3.097
   59    HG2  LYS   8           HG2      LYS   8  -2.527  -5.875  -4.031
   60    HG3  LYS   8           HG1      LYS   8  -2.447  -4.115  -4.157
   61    HD2  LYS   8           HD2      LYS   8  -0.485  -4.368  -5.662
   62    HD3  LYS   8           HD1      LYS   8  -0.721  -6.115  -5.613
   63    HE2  LYS   8           HE2      LYS   8  -2.765  -4.119  -6.576
   64    HE3  LYS   8           HE1      LYS   8  -1.697  -5.049  -7.623
   65    HZ1  LYS   8           HZ1      LYS   8  -3.869  -6.069  -7.468
   66    HZ2  LYS   8           HZ2      LYS   8  -3.740  -6.174  -5.787
   67    HZ3  LYS   8           HZ3      LYS   8  -2.706  -7.078  -6.771
   68    H    AIB   9           HN       AIB   9  -0.562  -7.054  -1.005
   69   HB11  AIB   9          HB11      AIB   9  -0.560  -9.534  -1.096
   70   HB12  AIB   9          HB12      AIB   9  -1.596 -10.280   0.121
   71   HB13  AIB   9          HB13      AIB   9  -0.454  -9.021   0.588
   72   HB21  AIB   9          HB21      AIB   9  -3.695  -9.674  -1.077
   73   HB22  AIB   9          HB22      AIB   9  -2.551  -9.217  -2.339
   74   HB23  AIB   9          HB23      AIB   9  -3.791  -8.080  -1.823
   75    H    ARG  10           HN       ARG  10  -1.419  -6.830   1.446
   76    HA   ARG  10           HA       ARG  10  -3.019  -7.745   3.559
   77    HB2  ARG  10           HB2      ARG  10  -0.912  -6.522   3.865
   78    HB3  ARG  10           HB1      ARG  10  -1.647  -5.074   3.193
   79    HG2  ARG  10           HG2      ARG  10  -3.183  -4.961   5.067
   80    HG3  ARG  10           HG1      ARG  10  -2.496  -6.442   5.738
   81    HD2  ARG  10           HD2      ARG  10  -1.062  -3.818   5.312
   82    HD3  ARG  10           HD1      ARG  10  -1.560  -4.500   6.861
   83    HE   ARG  10           HE       ARG  10   0.067  -6.384   5.617
   84   HH11  ARG  10          HH11      ARG  10   2.066  -3.336   7.301
   85   HH12  ARG  10          HH12      ARG  10   0.377  -3.152   6.952
   86   HH21  ARG  10          HH21      ARG  10   2.267  -6.621   6.089
   87   HH22  ARG  10          HH22      ARG  10   3.145  -5.306   6.807
   88    H    TYR  11           HN       TYR  11  -3.364  -4.979   1.396
   89    HA   TYR  11           HA       TYR  11  -5.938  -4.319   2.624
   90    HB2  TYR  11           HB2      TYR  11  -4.183  -2.803   0.684
   91    HB3  TYR  11           HB1      TYR  11  -5.726  -2.222   1.293
   92    HD1  TYR  11           HD1      TYR  11  -5.953  -2.045   3.873
   93    HD2  TYR  11           HD2      TYR  11  -2.227  -2.305   1.839
   94    HE1  TYR  11           HE1      TYR  11  -4.824  -1.087   5.833
   95    HE2  TYR  11           HE2      TYR  11  -1.088  -1.346   3.792
   96    HH   TYR  11           HH       TYR  11  -1.646   0.072   5.748
   97    H    AIB  12           HN       AIB  12  -6.190  -6.590   1.357
   98   HB11  AIB  12          HB11      AIB  12  -8.105  -8.183   0.776
   99   HB12  AIB  12          HB12      AIB  12  -6.548  -8.673   0.110
  100   HB13  AIB  12          HB13      AIB  12  -7.985  -8.680  -0.911
  101   HB21  AIB  12          HB21      AIB  12  -5.417  -7.263  -1.537
  102   HB22  AIB  12          HB22      AIB  12  -6.170  -5.775  -2.102
  103   HB23  AIB  12          HB23      AIB  12  -6.872  -7.335  -2.526
  104    H    GLY  13           HN       GLY  13  -8.777  -5.569   1.117
  105    HA2  GLY  13           HA2      GLY  13 -10.879  -5.195  -0.896
  106    HA3  GLY  13           HA1      GLY  13 -11.109  -5.147   0.843
  107    H    CYS  14           HN       CYS  14  -8.356  -3.459  -0.201
  108    HA   CYS  14           HA       CYS  14  -9.821  -0.918  -0.346
  109    HB2  CYS  14           HB2      CYS  14  -7.285  -1.129   1.248
  110    HB3  CYS  14           HB1      CYS  14  -8.518   0.115   1.316
  111    H    GLU  15           HN       GLU  15  -7.920   0.849  -0.771
  112    HA   GLU  15           HA       GLU  15  -6.253  -0.240  -2.943
  113    HB2  GLU  15           HB2      GLU  15  -7.375   2.550  -2.636
  114    HB3  GLU  15           HB1      GLU  15  -6.355   2.001  -3.956
  115    HG2  GLU  15           HG2      GLU  15  -8.120   0.351  -4.537
  116    HG3  GLU  15           HG1      GLU  15  -9.145   1.099  -3.313
  117    HN1  MVA  16           HM1      MEV  16  -4.294  -0.920  -3.271
  118    HN2  MVA  16           HM2      MEV  16  -2.991   0.142  -3.806
  119    HN3  MVA  16           HM3      MEV  16  -4.670   0.557  -4.154
  120    HA   MVA  16           HA       MEV  16  -3.087   2.154  -0.863
  121    HB   MVA  16           HB       MEV  16  -3.009   0.005   0.235
  122   HG11  MVA  16          HG11      MEV  16  -1.505  -1.784  -0.544
  123   HG12  MVA  16          HG12      MEV  16  -1.295  -0.911  -2.063
  124   HG13  MVA  16          HG13      MEV  16  -2.887  -1.526  -1.609
  125   HG21  MVA  16          HG21      MEV  16  -0.265   0.946  -0.572
  126   HG22  MVA  16          HG22      MEV  16  -0.653  -0.017   0.853
  127   HG23  MVA  16          HG23      MEV  16  -1.264   1.632   0.708
  128    H    ARG  17           HN       ARG  17  -1.961   3.619  -1.774
  129    HA   ARG  17           HA       ARG  17  -0.373   3.097  -4.158
  130    HB2  ARG  17           HB2      ARG  17  -0.699   5.668  -2.607
  131    HB3  ARG  17           HB1      ARG  17  -0.008   5.495  -4.210
  132    HG2  ARG  17           HG2      ARG  17  -2.142   4.900  -5.127
  133    HG3  ARG  17           HG1      ARG  17  -2.870   4.880  -3.518
  134    HD2  ARG  17           HD2      ARG  17  -2.264   7.294  -3.294
  135    HD3  ARG  17           HD1      ARG  17  -1.741   7.268  -4.976
  136    HE   ARG  17           HE       ARG  17  -4.214   6.424  -5.282
  137   HH11  ARG  17          HH11      ARG  17  -4.478   9.900  -3.273
  138   HH12  ARG  17          HH12      ARG  17  -3.005   8.982  -3.201
  139   HH21  ARG  17          HH21      ARG  17  -6.141   7.633  -5.382
  140   HH22  ARG  17          HH22      ARG  17  -6.266   9.129  -4.517
  141    H    CYS  18           HN       CYS  18   1.527   2.149  -3.747
  142    HA   CYS  18           HA       CYS  18   2.887   2.615  -1.235
  143    HB2  CYS  18           HB2      CYS  18   4.507   0.911  -2.211
  144    HB3  CYS  18           HB1      CYS  18   2.864   0.354  -1.921
  145    H    ASP  19           HN       ASP  19   4.610   3.860  -0.918
  146    HA   ASP  19           HA       ASP  19   6.255   4.697  -3.182
  147    HB2  ASP  19           HB2      ASP  19   4.474   6.447  -2.739
  148    HB3  ASP  19           HB1      ASP  19   5.206   6.683  -1.157
  149    HA   DPR  20           HA       DPR  20   9.692   4.239  -0.355
  150    HB2  DPR  20           HB2      DPR  20  10.750   2.312  -0.972
  151    HB3  DPR  20           HB1      DPR  20   9.294   1.332  -0.773
  152    HG2  DPR  20           HG2      DPR  20  10.106   3.061  -3.079
  153    HG3  DPR  20           HG1      DPR  20   9.391   1.437  -3.093
  154    HD2  DPR  20           HD2      DPR  20   7.926   3.646  -3.552
  155    HD3  DPR  20           HD1      DPR  20   7.256   2.241  -2.697
  156    HA   PRO  21           HA       PRO  21   8.280   2.369   3.493
  157    HB2  PRO  21           HB2      PRO  21   8.826   4.461   5.086
  158    HB3  PRO  21           HB1      PRO  21  10.101   3.417   4.449
  159    HG2  PRO  21           HG2      PRO  21   9.194   6.098   3.484
  160    HG3  PRO  21           HG1      PRO  21  10.845   5.485   3.687
  161    HD2  PRO  21           HD2      PRO  21   9.562   5.563   1.281
  162    HD3  PRO  21           HD1      PRO  21  10.804   4.364   1.682
  163    H    ARG  22           HN       ARG  22   7.025   5.038   1.789
  164    HA   ARG  22           HA       ARG  22   4.893   5.490   3.760
  165    HB2  ARG  22           HB2      ARG  22   5.633   7.080   1.293
  166    HB3  ARG  22           HB1      ARG  22   4.376   7.507   2.443
  167    HG2  ARG  22           HG2      ARG  22   6.050   7.790   4.190
  168    HG3  ARG  22           HG1      ARG  22   7.318   7.322   3.056
  169    HD2  ARG  22           HD2      ARG  22   7.250   9.735   3.257
  170    HD3  ARG  22           HD1      ARG  22   6.740   9.252   1.640
  171    HE   ARG  22           HE       ARG  22   4.647   9.740   3.615
  172   HH11  ARG  22          HH11      ARG  22   6.444  10.891   0.838
  173   HH12  ARG  22          HH12      ARG  22   5.277  12.112   0.435
  174   HH21  ARG  22          HH21      ARG  22   3.387  12.368   1.705
  175   HH22  ARG  22          HH22      ARG  22   3.109  11.340   3.075
  176    H    TYR  23           HN       TYR  23   2.688   5.496   3.056
  177    HA   TYR  23           HA       TYR  23   2.064   4.779   0.356
  178    HB2  TYR  23           HB2      TYR  23   0.899   2.698   0.839
  179    HB3  TYR  23           HB1      TYR  23   2.599   2.567   1.250
  180    HD1  TYR  23           HD1      TYR  23  -0.808   2.529   2.515
  181    HD2  TYR  23           HD2      TYR  23   3.301   2.464   3.608
  182    HE1  TYR  23           HE1      TYR  23  -1.424   1.791   4.777
  183    HE2  TYR  23           HE2      TYR  23   2.697   1.727   5.869
  184    HH   TYR  23           HH       TYR  23  -0.375   0.591   6.681
  185    H    GLU  24           HN       GLU  24  -0.109   4.986  -0.153
  186    HA   GLU  24           HA       GLU  24  -1.743   6.296   1.917
  187    HB2  GLU  24           HB2      GLU  24  -1.987   6.457  -1.094
  188    HB3  GLU  24           HB1      GLU  24  -3.037   7.265   0.054
  189    HG2  GLU  24           HG2      GLU  24  -0.971   8.445   0.907
  190    HG3  GLU  24           HG1      GLU  24  -0.149   7.816  -0.522
  191    HN1  MVA  25           HM1      MEV  25  -3.741   6.676   2.344
  192    HN2  MVA  25           HM2      MEV  25  -2.921   5.610   3.485
  193    HN3  MVA  25           HM3      MEV  25  -4.681   5.584   3.358
  194    HA   MVA  25           HA       MEV  25  -4.608   3.124   0.716
  195    HB   MVA  25           HB       MEV  25  -3.372   1.996   2.452
  196   HG11  MVA  25          HG11      MEV  25  -5.220   3.344   4.408
  197   HG12  MVA  25          HG12      MEV  25  -3.474   3.555   4.279
  198   HG13  MVA  25          HG13      MEV  25  -4.140   2.005   4.795
  199   HG21  MVA  25          HG21      MEV  25  -6.356   1.677   2.705
  200   HG22  MVA  25          HG22      MEV  25  -5.162   0.503   3.261
  201   HG23  MVA  25          HG23      MEV  25  -5.297   0.875   1.543
  202    H    HIS  26           HN       HIS  26  -6.509   3.407   0.051
  203    HA   HIS  26           HA       HIS  26  -8.465   4.835   1.731
  204    HB2  HIS  26           HB2      HIS  26  -8.271   4.481  -1.257
  205    HB3  HIS  26           HB1      HIS  26  -9.728   5.061  -0.472
  206    HD1  HIS  26           HD1      HIS  26  -9.896   7.507  -0.196
  207    HD2  HIS  26           HD2      HIS  26  -5.966   6.277  -0.737
  208    HE1  HIS  26           HE1      HIS  26  -8.551   9.619  -0.372
  209    HE2  HIS  26           HE2      HIS  26  -6.158   8.846  -0.483
  210    H    CYS  27           HN       CYS  27 -10.281   3.770   2.361
  211    HA   CYS  27           HA       CYS  27 -10.949   1.259   1.043
  212    HB2  CYS  27           HB2      CYS  27  -9.343   0.990   3.090
  213    HB3  CYS  27           HB1      CYS  27 -10.799   1.284   4.030
  214    HN1  NH2  28           HN1      NH2  28 -12.692   2.626   0.346
  215    HN2  NH2  28           HN2      NH2  28 -14.030   2.931   1.395
  Start of MODEL    9
    1    H1   ASN   1           HT1      ASN   1  11.156 -10.585  -1.282
    2    H2   ASN   1           HT2      ASN   1  10.881 -11.612   0.033
    3    H3   ASN   1           HT3      ASN   1  11.469 -10.046   0.289
    4    HA   ASN   1           HA       ASN   1   8.814 -10.729  -0.820
    5    HB2  ASN   1           HB2      ASN   1   7.903 -10.002   1.294
    6    HB3  ASN   1           HB1      ASN   1   9.137 -11.209   1.629
    7   HD21  ASN   1          HD21      ASN   1   8.119  -7.990   2.102
    8   HD22  ASN   1          HD22      ASN   1   9.461  -7.460   3.057
    9    H    ASP   2           HN       ASP   2   7.484  -8.889  -1.255
   10    HA   ASP   2           HA       ASP   2   9.075  -6.467  -1.781
   11    HB2  ASP   2           HB2      ASP   2   8.293  -7.571  -3.820
   12    HB3  ASP   2           HB1      ASP   2   6.634  -7.491  -3.238
   13    H    AIB   3           HN       AIB   3   8.441  -4.559  -1.036
   14   HB11  AIB   3          HB11      AIB   3   7.664  -2.187  -0.789
   15   HB12  AIB   3          HB12      AIB   3   8.513  -2.725   0.660
   16   HB13  AIB   3          HB13      AIB   3   6.973  -1.878   0.804
   17   HB21  AIB   3          HB21      AIB   3   6.138  -3.710   2.173
   18   HB22  AIB   3          HB22      AIB   3   7.685  -4.537   1.993
   19   HB23  AIB   3          HB23      AIB   3   6.188  -5.369   1.576
   20    H    CYS   4           HN       CYS   4   6.203  -3.239  -2.242
   21    HA   CYS   4           HA       CYS   4   3.632  -2.187  -1.758
   22    HB2  CYS   4           HB2      CYS   4   4.912  -3.065  -4.344
   23    HB3  CYS   4           HB1      CYS   4   3.407  -2.168  -4.234
   24    H    LYS   5           HN       LYS   5   4.714  -5.331  -2.974
   25    HA   LYS   5           HA       LYS   5   2.143  -6.332  -3.554
   26    HB2  LYS   5           HB2      LYS   5   4.235  -7.367  -4.370
   27    HB3  LYS   5           HB1      LYS   5   4.611  -7.872  -2.728
   28    HG2  LYS   5           HG2      LYS   5   2.666  -9.312  -2.684
   29    HG3  LYS   5           HG1      LYS   5   2.192  -8.758  -4.291
   30    HD2  LYS   5           HD2      LYS   5   4.253  -9.687  -5.223
   31    HD3  LYS   5           HD1      LYS   5   4.737 -10.229  -3.615
   32    HE2  LYS   5           HE2      LYS   5   2.259 -11.123  -5.084
   33    HE3  LYS   5           HE1      LYS   5   3.757 -12.043  -4.969
   34    HZ1  LYS   5           HZ1      LYS   5   2.156 -12.802  -3.351
   35    HZ2  LYS   5           HZ2      LYS   5   2.024 -11.252  -2.694
   36    HZ3  LYS   5           HZ3      LYS   5   3.479 -12.102  -2.562
   37    H    AIB   6           HN       AIB   6   4.130  -6.449  -0.635
   38   HB11  AIB   6          HB11      AIB   6   3.665  -7.070   2.854
   39   HB12  AIB   6          HB12      AIB   6   4.164  -5.709   1.852
   40   HB13  AIB   6          HB13      AIB   6   4.811  -7.317   1.539
   41   HB21  AIB   6          HB21      AIB   6   2.086  -8.685   2.073
   42   HB22  AIB   6          HB22      AIB   6   3.266  -9.123   0.839
   43   HB23  AIB   6          HB23      AIB   6   1.611  -8.737   0.376
   44    H    LEU   7           HN       LEU   7   2.564  -4.566   0.466
   45    HA   LEU   7           HA       LEU   7   0.526  -3.939   2.317
   46    HB2  LEU   7           HB2      LEU   7   1.399  -2.416  -0.134
   47    HB3  LEU   7           HB1      LEU   7   0.422  -1.774   1.169
   48    HG   LEU   7           HG       LEU   7   3.272  -2.730   1.460
   49   HD11  LEU   7          HD11      LEU   7   3.797  -0.348   1.725
   50   HD12  LEU   7          HD12      LEU   7   2.126   0.048   1.329
   51   HD13  LEU   7          HD13      LEU   7   3.159  -0.714   0.122
   52   HD21  LEU   7          HD21      LEU   7   3.128  -1.630   3.662
   53   HD22  LEU   7          HD22      LEU   7   2.021  -2.994   3.515
   54   HD23  LEU   7          HD23      LEU   7   1.410  -1.346   3.385
   55    H    LYS   8           HN       LYS   8   0.496  -4.603  -1.147
   56    HA   LYS   8           HA       LYS   8  -2.216  -4.046  -1.582
   57    HB2  LYS   8           HB2      LYS   8  -0.568  -4.364  -3.394
   58    HB3  LYS   8           HB1      LYS   8  -0.489  -6.077  -3.003
   59    HG2  LYS   8           HG2      LYS   8  -2.850  -6.323  -3.578
   60    HG3  LYS   8           HG1      LYS   8  -2.934  -4.604  -3.964
   61    HD2  LYS   8           HD2      LYS   8  -2.688  -5.882  -5.997
   62    HD3  LYS   8           HD1      LYS   8  -1.223  -4.942  -5.709
   63    HE2  LYS   8           HE2      LYS   8  -0.154  -6.946  -4.758
   64    HE3  LYS   8           HE1      LYS   8  -1.614  -7.872  -5.103
   65    HZ1  LYS   8           HZ1      LYS   8   0.138  -6.550  -7.103
   66    HZ2  LYS   8           HZ2      LYS   8  -1.299  -7.371  -7.461
   67    HZ3  LYS   8           HZ3      LYS   8   0.018  -8.212  -6.818
   68    H    AIB   9           HN       AIB   9  -0.589  -7.127  -0.865
   69   HB11  AIB   9          HB11      AIB   9  -0.531  -9.590  -0.756
   70   HB12  AIB   9          HB12      AIB   9  -1.476 -10.287   0.557
   71   HB13  AIB   9          HB13      AIB   9  -0.333  -8.988   0.890
   72   HB21  AIB   9          HB21      AIB   9  -3.562  -9.871  -0.548
   73   HB22  AIB   9          HB22      AIB   9  -2.654  -9.261  -1.931
   74   HB23  AIB   9          HB23      AIB   9  -3.931  -8.280  -1.215
   75    H    ARG  10           HN       ARG  10  -1.360  -6.633   1.601
   76    HA   ARG  10           HA       ARG  10  -2.877  -7.459   3.857
   77    HB2  ARG  10           HB2      ARG  10  -0.661  -6.244   3.876
   78    HB3  ARG  10           HB1      ARG  10  -1.534  -4.791   3.422
   79    HG2  ARG  10           HG2      ARG  10  -2.826  -4.915   5.484
   80    HG3  ARG  10           HG1      ARG  10  -1.955  -6.379   5.944
   81    HD2  ARG  10           HD2      ARG  10  -0.798  -3.619   5.557
   82    HD3  ARG  10           HD1      ARG  10  -0.980  -4.486   7.080
   83    HE   ARG  10           HE       ARG  10   0.583  -6.130   5.562
   84   HH11  ARG  10          HH11      ARG  10   2.552  -2.769   6.556
   85   HH12  ARG  10          HH12      ARG  10   0.818  -2.795   6.621
   86   HH21  ARG  10          HH21      ARG  10   2.868  -6.091   5.501
   87   HH22  ARG  10          HH22      ARG  10   3.713  -4.638   5.939
   88    H    TYR  11           HN       TYR  11  -3.370  -5.122   1.303
   89    HA   TYR  11           HA       TYR  11  -5.885  -4.273   2.594
   90    HB2  TYR  11           HB2      TYR  11  -4.013  -2.621   0.890
   91    HB3  TYR  11           HB1      TYR  11  -5.553  -2.071   1.538
   92    HD1  TYR  11           HD1      TYR  11  -5.794  -2.275   4.151
   93    HD2  TYR  11           HD2      TYR  11  -2.086  -2.159   2.071
   94    HE1  TYR  11           HE1      TYR  11  -4.674  -1.537   6.206
   95    HE2  TYR  11           HE2      TYR  11  -0.950  -1.419   4.122
   96    HH   TYR  11           HH       TYR  11  -1.586  -0.225   6.250
   97    H    AIB  12           HN       AIB  12  -5.788  -6.455   0.848
   98   HB11  AIB  12          HB11      AIB  12  -5.977  -8.214  -0.824
   99   HB12  AIB  12          HB12      AIB  12  -7.404  -8.141  -1.856
  100   HB13  AIB  12          HB13      AIB  12  -7.579  -8.070  -0.105
  101   HB21  AIB  12          HB21      AIB  12  -5.999  -4.850  -2.332
  102   HB22  AIB  12          HB22      AIB  12  -6.568  -6.331  -3.105
  103   HB23  AIB  12          HB23      AIB  12  -5.072  -6.342  -2.171
  104    H    GLY  13           HN       GLY  13  -8.369  -5.569   0.923
  105    HA2  GLY  13           HA2      GLY  13 -10.728  -5.175  -0.736
  106    HA3  GLY  13           HA1      GLY  13 -10.676  -5.151   1.018
  107    H    CYS  14           HN       CYS  14  -8.240  -3.289  -0.425
  108    HA   CYS  14           HA       CYS  14  -9.832  -0.842  -0.488
  109    HB2  CYS  14           HB2      CYS  14  -7.348  -1.127   1.217
  110    HB3  CYS  14           HB1      CYS  14  -8.317   0.326   1.031
  111    H    GLU  15           HN       GLU  15  -8.232   1.039  -1.125
  112    HA   GLU  15           HA       GLU  15  -6.476   0.040  -3.245
  113    HB2  GLU  15           HB2      GLU  15  -7.681   2.754  -2.706
  114    HB3  GLU  15           HB1      GLU  15  -6.457   2.481  -3.938
  115    HG2  GLU  15           HG2      GLU  15  -9.124   1.098  -3.845
  116    HG3  GLU  15           HG1      GLU  15  -8.761   2.524  -4.815
  117    HN1  MVA  16           HM1      MEV  16  -3.193   0.071  -3.960
  118    HN2  MVA  16           HM2      MEV  16  -4.814   0.640  -4.358
  119    HN3  MVA  16           HM3      MEV  16  -4.601  -0.858  -3.449
  120    HA   MVA  16           HA       MEV  16  -3.213   2.102  -0.995
  121    HB   MVA  16           HB       MEV  16  -3.253  -0.151  -0.046
  122   HG11  MVA  16          HG11      MEV  16  -2.986  -1.532  -2.004
  123   HG12  MVA  16          HG12      MEV  16  -1.702  -1.876  -0.843
  124   HG13  MVA  16          HG13      MEV  16  -1.362  -0.891  -2.267
  125   HG21  MVA  16          HG21      MEV  16  -0.494   0.920  -0.602
  126   HG22  MVA  16          HG22      MEV  16  -0.910  -0.212   0.685
  127   HG23  MVA  16          HG23      MEV  16  -1.577   1.421   0.696
  128    H    ARG  17           HN       ARG  17  -1.963   3.537  -1.768
  129    HA   ARG  17           HA       ARG  17  -0.358   3.002  -4.164
  130    HB2  ARG  17           HB2      ARG  17  -0.873   5.628  -2.755
  131    HB3  ARG  17           HB1      ARG  17  -0.076   5.418  -4.305
  132    HG2  ARG  17           HG2      ARG  17  -2.139   4.641  -5.299
  133    HG3  ARG  17           HG1      ARG  17  -2.955   4.744  -3.738
  134    HD2  ARG  17           HD2      ARG  17  -2.472   7.176  -3.694
  135    HD3  ARG  17           HD1      ARG  17  -1.773   7.039  -5.305
  136    HE   ARG  17           HE       ARG  17  -4.364   6.001  -5.407
  137   HH11  ARG  17          HH11      ARG  17  -4.104  10.010  -5.445
  138   HH12  ARG  17          HH12      ARG  17  -2.791   9.068  -4.816
  139   HH21  ARG  17          HH21      ARG  17  -6.111   7.232  -6.221
  140   HH22  ARG  17          HH22      ARG  17  -5.999   8.963  -6.248
  141    H    CYS  18           HN       CYS  18   1.531   2.080  -3.561
  142    HA   CYS  18           HA       CYS  18   2.757   2.769  -1.054
  143    HB2  CYS  18           HB2      CYS  18   4.513   1.149  -1.714
  144    HB3  CYS  18           HB1      CYS  18   2.892   0.469  -1.777
  145    H    ASP  19           HN       ASP  19   4.248   4.210  -0.685
  146    HA   ASP  19           HA       ASP  19   5.726   5.390  -2.934
  147    HB2  ASP  19           HB2      ASP  19   3.961   6.936  -2.093
  148    HB3  ASP  19           HB1      ASP  19   4.692   6.855  -0.495
  149    HA   DPR  20           HA       DPR  20   9.429   4.864  -0.452
  150    HB2  DPR  20           HB2      DPR  20  10.809   3.677  -1.809
  151    HB3  DPR  20           HB1      DPR  20   9.683   2.324  -1.912
  152    HG2  DPR  20           HG2      DPR  20   9.793   4.823  -3.541
  153    HG3  DPR  20           HG1      DPR  20   9.416   3.166  -4.049
  154    HD2  DPR  20           HD2      DPR  20   7.500   5.019  -3.688
  155    HD3  DPR  20           HD1      DPR  20   7.227   3.307  -3.308
  156    HA   PRO  21           HA       PRO  21   8.485   1.344   2.244
  157    HB2  PRO  21           HB2      PRO  21   9.187   2.505   4.542
  158    HB3  PRO  21           HB1      PRO  21  10.407   1.956   3.387
  159    HG2  PRO  21           HG2      PRO  21   9.357   4.718   3.860
  160    HG3  PRO  21           HG1      PRO  21  11.029   4.187   3.609
  161    HD2  PRO  21           HD2      PRO  21   9.450   5.267   1.637
  162    HD3  PRO  21           HD1      PRO  21  10.806   4.168   1.329
  163    H    ARG  22           HN       ARG  22   7.029   4.332   1.800
  164    HA   ARG  22           HA       ARG  22   5.093   3.925   3.974
  165    HB2  ARG  22           HB2      ARG  22   5.687   6.361   2.287
  166    HB3  ARG  22           HB1      ARG  22   4.412   6.277   3.496
  167    HG2  ARG  22           HG2      ARG  22   6.094   5.848   5.226
  168    HG3  ARG  22           HG1      ARG  22   7.363   5.978   4.007
  169    HD2  ARG  22           HD2      ARG  22   6.717   8.287   3.566
  170    HD3  ARG  22           HD1      ARG  22   5.414   8.160   4.748
  171    HE   ARG  22           HE       ARG  22   8.003   7.551   5.841
  172   HH11  ARG  22          HH11      ARG  22   5.783  10.141   5.049
  173   HH12  ARG  22          HH12      ARG  22   6.424  11.225   6.238
  174   HH21  ARG  22          HH21      ARG  22   8.171  10.568   7.576
  175   HH22  ARG  22          HH22      ARG  22   8.853   8.983   7.406
  176    H    TYR  23           HN       TYR  23   2.796   4.749   3.277
  177    HA   TYR  23           HA       TYR  23   2.126   4.258   0.529
  178    HB2  TYR  23           HB2      TYR  23   0.689   2.316   0.947
  179    HB3  TYR  23           HB1      TYR  23   2.376   1.967   1.297
  180    HD1  TYR  23           HD1      TYR  23  -0.976   2.216   2.647
  181    HD2  TYR  23           HD2      TYR  23   3.131   1.766   3.649
  182    HE1  TYR  23           HE1      TYR  23  -1.615   1.444   4.891
  183    HE2  TYR  23           HE2      TYR  23   2.505   0.993   5.894
  184    HH   TYR  23           HH       TYR  23   0.597   1.206   7.451
  185    H    GLU  24           HN       GLU  24   0.018   4.714   0.006
  186    HA   GLU  24           HA       GLU  24  -1.625   5.969   2.094
  187    HB2  GLU  24           HB2      GLU  24  -1.421   6.336  -0.879
  188    HB3  GLU  24           HB1      GLU  24  -2.907   6.755  -0.045
  189    HG2  GLU  24           HG2      GLU  24  -0.238   7.853   0.758
  190    HG3  GLU  24           HG1      GLU  24  -1.272   8.628  -0.442
  191    HN1  MVA  25           HM1      MEV  25  -2.848   5.219   3.629
  192    HN2  MVA  25           HM2      MEV  25  -4.603   5.241   3.465
  193    HN3  MVA  25           HM3      MEV  25  -3.613   6.351   2.515
  194    HA   MVA  25           HA       MEV  25  -4.561   2.906   0.726
  195    HB   MVA  25           HB       MEV  25  -3.343   1.629   2.354
  196   HG11  MVA  25          HG11      MEV  25  -5.071   2.933   4.445
  197   HG12  MVA  25          HG12      MEV  25  -3.324   3.092   4.262
  198   HG13  MVA  25          HG13      MEV  25  -4.026   1.539   4.718
  199   HG21  MVA  25          HG21      MEV  25  -5.365   0.664   1.445
  200   HG22  MVA  25          HG22      MEV  25  -6.324   1.404   2.728
  201   HG23  MVA  25          HG23      MEV  25  -5.145   0.150   3.118
  202    H    HIS  26           HN       HIS  26  -6.420   3.419   0.062
  203    HA   HIS  26           HA       HIS  26  -8.357   4.603   1.936
  204    HB2  HIS  26           HB2      HIS  26  -7.955   5.225  -0.995
  205    HB3  HIS  26           HB1      HIS  26  -9.305   5.810  -0.037
  206    HD1  HIS  26           HD1      HIS  26  -8.971   8.077   0.913
  207    HD2  HIS  26           HD2      HIS  26  -5.361   6.143   0.211
  208    HE1  HIS  26           HE1      HIS  26  -7.182   9.747   1.494
  209    HE2  HIS  26           HE2      HIS  26  -5.000   8.535   1.126
  210    H    CYS  27           HN       CYS  27 -10.037   3.323   2.260
  211    HA   CYS  27           HA       CYS  27 -10.484   1.078   0.480
  212    HB2  CYS  27           HB2      CYS  27 -11.867   1.768   3.071
  213    HB3  CYS  27           HB1      CYS  27 -11.925   0.226   2.227
  214    HN1  NH2  28           HN1      NH2  28 -11.341   2.144  -1.313
  215    HN2  NH2  28           HN2      NH2  28 -12.943   2.793  -1.316
  Start of MODEL   10
    1    H1   ASN   1           HT1      ASN   1  11.928 -10.285  -0.841
    2    H2   ASN   1           HT2      ASN   1  12.325  -8.788  -1.518
    3    H3   ASN   1           HT3      ASN   1  11.149  -9.753  -2.246
    4    HA   ASN   1           HA       ASN   1   9.703  -9.501  -0.352
    5    HB2  ASN   1           HB2      ASN   1  11.612  -9.215   1.280
    6    HB3  ASN   1           HB1      ASN   1  11.791  -7.568   0.688
    7   HD21  ASN   1          HD21      ASN   1  11.145  -8.564   3.353
    8   HD22  ASN   1          HD22      ASN   1   9.641  -7.832   3.786
    9    H    ASP   2           HN       ASP   2   8.148  -8.414  -1.346
   10    HA   ASP   2           HA       ASP   2   8.804  -5.832  -2.595
   11    HB2  ASP   2           HB2      ASP   2   6.566  -7.769  -3.222
   12    HB3  ASP   2           HB1      ASP   2   6.759  -6.192  -3.972
   13    H    AIB   3           HN       AIB   3   8.402  -4.344  -1.097
   14   HB11  AIB   3          HB11      AIB   3   7.532  -2.019  -0.528
   15   HB12  AIB   3          HB12      AIB   3   8.426  -2.753   0.804
   16   HB13  AIB   3          HB13      AIB   3   6.866  -1.986   1.104
   17   HB21  AIB   3          HB21      AIB   3   7.655  -4.781   1.850
   18   HB22  AIB   3          HB22      AIB   3   6.175  -5.576   1.316
   19   HB23  AIB   3          HB23      AIB   3   6.088  -4.035   2.168
   20    H    CYS   4           HN       CYS   4   6.122  -3.088  -2.173
   21    HA   CYS   4           HA       CYS   4   3.533  -2.103  -1.677
   22    HB2  CYS   4           HB2      CYS   4   5.025  -1.424  -3.574
   23    HB3  CYS   4           HB1      CYS   4   4.653  -2.960  -4.345
   24    H    LYS   5           HN       LYS   5   4.695  -5.226  -2.786
   25    HA   LYS   5           HA       LYS   5   2.153  -6.232  -3.560
   26    HB2  LYS   5           HB2      LYS   5   4.311  -7.223  -4.312
   27    HB3  LYS   5           HB1      LYS   5   4.591  -7.786  -2.671
   28    HG2  LYS   5           HG2      LYS   5   2.454  -9.092  -2.856
   29    HG3  LYS   5           HG1      LYS   5   2.430  -8.670  -4.569
   30    HD2  LYS   5           HD2      LYS   5   3.412 -10.847  -4.335
   31    HD3  LYS   5           HD1      LYS   5   4.681  -9.709  -4.792
   32    HE2  LYS   5           HE2      LYS   5   5.457  -9.590  -2.509
   33    HE3  LYS   5           HE1      LYS   5   4.113 -10.592  -1.965
   34    HZ1  LYS   5           HZ1      LYS   5   6.334 -11.436  -3.743
   35    HZ2  LYS   5           HZ2      LYS   5   5.011 -12.403  -3.335
   36    HZ3  LYS   5           HZ3      LYS   5   6.094 -11.909  -2.139
   37    H    AIB   6           HN       AIB   6   4.115  -6.510  -0.633
   38   HB11  AIB   6          HB11      AIB   6   3.615  -7.248   2.828
   39   HB12  AIB   6          HB12      AIB   6   4.190  -5.898   1.851
   40   HB13  AIB   6          HB13      AIB   6   4.761  -7.534   1.519
   41   HB21  AIB   6          HB21      AIB   6   3.230  -9.228   0.713
   42   HB22  AIB   6          HB22      AIB   6   1.589  -8.810   0.224
   43   HB23  AIB   6          HB23      AIB   6   2.016  -8.848   1.934
   44    H    LEU   7           HN       LEU   7   2.556  -4.638   0.599
   45    HA   LEU   7           HA       LEU   7   0.483  -4.121   2.445
   46    HB2  LEU   7           HB2      LEU   7   1.442  -2.458   0.121
   47    HB3  LEU   7           HB1      LEU   7   0.394  -1.885   1.402
   48    HG   LEU   7           HG       LEU   7   3.213  -2.876   1.837
   49   HD11  LEU   7          HD11      LEU   7   3.775  -0.509   2.150
   50   HD12  LEU   7          HD12      LEU   7   2.138  -0.065   1.663
   51   HD13  LEU   7          HD13      LEU   7   3.224  -0.839   0.508
   52   HD21  LEU   7          HD21      LEU   7   1.807  -3.123   3.795
   53   HD22  LEU   7          HD22      LEU   7   1.251  -1.459   3.634
   54   HD23  LEU   7          HD23      LEU   7   2.935  -1.789   4.033
   55    H    LYS   8           HN       LYS   8   0.503  -4.489  -1.070
   56    HA   LYS   8           HA       LYS   8  -2.181  -3.840  -1.530
   57    HB2  LYS   8           HB2      LYS   8  -0.570  -4.014  -3.344
   58    HB3  LYS   8           HB1      LYS   8  -0.363  -5.731  -3.034
   59    HG2  LYS   8           HG2      LYS   8  -2.680  -6.132  -3.683
   60    HG3  LYS   8           HG1      LYS   8  -2.895  -4.407  -3.989
   61    HD2  LYS   8           HD2      LYS   8  -1.169  -4.497  -5.716
   62    HD3  LYS   8           HD1      LYS   8  -0.935  -6.217  -5.400
   63    HE2  LYS   8           HE2      LYS   8  -3.519  -4.968  -6.330
   64    HE3  LYS   8           HE1      LYS   8  -2.353  -5.769  -7.380
   65    HZ1  LYS   8           HZ1      LYS   8  -4.146  -7.253  -6.782
   66    HZ2  LYS   8           HZ2      LYS   8  -3.825  -7.041  -5.137
   67    HZ3  LYS   8           HZ3      LYS   8  -2.692  -7.810  -6.128
   68    H    AIB   9           HN       AIB   9  -0.641  -6.965  -0.957
   69   HB11  AIB   9          HB11      AIB   9  -1.561 -10.259   0.010
   70   HB12  AIB   9          HB12      AIB   9  -0.426  -9.014   0.520
   71   HB13  AIB   9          HB13      AIB   9  -0.601  -9.401  -1.191
   72   HB21  AIB   9          HB21      AIB   9  -4.002  -8.043  -1.517
   73   HB22  AIB   9          HB22      AIB   9  -3.662  -9.698  -1.012
   74   HB23  AIB   9          HB23      AIB   9  -2.736  -8.967  -2.322
   75    H    ARG  10           HN       ARG  10  -1.383  -6.810   1.518
   76    HA   ARG  10           HA       ARG  10  -2.849  -7.893   3.671
   77    HB2  ARG  10           HB2      ARG  10  -0.696  -6.684   3.878
   78    HB3  ARG  10           HB1      ARG  10  -1.512  -5.192   3.444
   79    HG2  ARG  10           HG2      ARG  10  -2.845  -5.292   5.451
   80    HG3  ARG  10           HG1      ARG  10  -2.135  -6.851   5.877
   81    HD2  ARG  10           HD2      ARG  10  -0.678  -4.220   5.632
   82    HD3  ARG  10           HD1      ARG  10  -1.061  -5.065   7.131
   83    HE   ARG  10           HE       ARG  10   0.383  -6.899   5.772
   84   HH11  ARG  10          HH11      ARG  10   2.698  -3.714   6.576
   85   HH12  ARG  10          HH12      ARG  10   0.971  -3.538   6.555
   86   HH21  ARG  10          HH21      ARG  10   2.645  -7.137   5.808
   87   HH22  ARG  10          HH22      ARG  10   3.648  -5.764   6.157
   88    H    TYR  11           HN       TYR  11  -3.268  -4.937   1.771
   89    HA   TYR  11           HA       TYR  11  -5.758  -4.342   3.145
   90    HB2  TYR  11           HB2      TYR  11  -4.161  -2.863   1.052
   91    HB3  TYR  11           HB1      TYR  11  -5.713  -2.299   1.661
   92    HD1  TYR  11           HD1      TYR  11  -5.944  -1.598   4.008
   93    HD2  TYR  11           HD2      TYR  11  -2.167  -2.682   2.384
   94    HE1  TYR  11           HE1      TYR  11  -4.828  -0.561   5.930
   95    HE2  TYR  11           HE2      TYR  11  -1.038  -1.646   4.304
   96    HH   TYR  11           HH       TYR  11  -2.730  -0.694   7.128
   97    H    AIB  12           HN       AIB  12  -6.367  -6.527   2.208
   98   HB11  AIB  12          HB11      AIB  12  -6.988  -8.724   1.366
   99   HB12  AIB  12          HB12      AIB  12  -8.410  -8.758   0.324
  100   HB13  AIB  12          HB13      AIB  12  -8.485  -7.954   1.892
  101   HB21  AIB  12          HB21      AIB  12  -5.718  -7.801  -0.489
  102   HB22  AIB  12          HB22      AIB  12  -6.255  -6.334  -1.306
  103   HB23  AIB  12          HB23      AIB  12  -7.168  -7.831  -1.491
  104    H    GLY  13           HN       GLY  13  -8.760  -5.148   1.716
  105    HA2  GLY  13           HA2      GLY  13 -10.815  -4.928  -0.388
  106    HA3  GLY  13           HA1      GLY  13 -11.121  -4.718   1.326
  107    H    CYS  14           HN       CYS  14  -8.224  -3.291   0.147
  108    HA   CYS  14           HA       CYS  14  -9.546  -0.711  -0.247
  109    HB2  CYS  14           HB2      CYS  14  -7.259  -1.062   1.693
  110    HB3  CYS  14           HB1      CYS  14  -8.116   0.428   1.339
  111    H    GLU  15           HN       GLU  15  -8.275   0.820  -1.372
  112    HA   GLU  15           HA       GLU  15  -6.210  -0.322  -3.046
  113    HB2  GLU  15           HB2      GLU  15  -7.350   2.477  -2.885
  114    HB3  GLU  15           HB1      GLU  15  -6.173   1.950  -4.079
  115    HG2  GLU  15           HG2      GLU  15  -7.771   0.354  -4.970
  116    HG3  GLU  15           HG1      GLU  15  -8.949   0.841  -3.754
  117    HN1  MVA  16           HM1      MEV  16  -4.575   0.614  -4.226
  118    HN2  MVA  16           HM2      MEV  16  -4.161  -0.881  -3.387
  119    HN3  MVA  16           HM3      MEV  16  -2.894   0.261  -3.835
  120    HA   MVA  16           HA       MEV  16  -3.170   2.178  -0.861
  121    HB   MVA  16           HB       MEV  16  -3.122   0.101   0.313
  122   HG11  MVA  16          HG11      MEV  16  -1.716  -1.790  -0.375
  123   HG12  MVA  16          HG12      MEV  16  -1.417  -0.984  -1.915
  124   HG13  MVA  16          HG13      MEV  16  -3.051  -1.493  -1.488
  125   HG21  MVA  16          HG21      MEV  16  -1.295   1.680   0.712
  126   HG22  MVA  16          HG22      MEV  16  -0.319   0.846  -0.498
  127   HG23  MVA  16          HG23      MEV  16  -0.795   0.010   0.983
  128    H    ARG  17           HN       ARG  17  -2.069   3.655  -1.802
  129    HA   ARG  17           HA       ARG  17  -0.402   3.136  -4.102
  130    HB2  ARG  17           HB2      ARG  17  -0.516   5.695  -2.514
  131    HB3  ARG  17           HB1      ARG  17  -0.064   5.488  -4.198
  132    HG2  ARG  17           HG2      ARG  17  -2.809   5.206  -3.010
  133    HG3  ARG  17           HG1      ARG  17  -2.233   6.491  -4.072
  134    HD2  ARG  17           HD2      ARG  17  -1.998   4.939  -5.903
  135    HD3  ARG  17           HD1      ARG  17  -2.374   3.579  -4.847
  136    HE   ARG  17           HE       ARG  17  -4.427   5.614  -5.026
  137   HH11  ARG  17          HH11      ARG  17  -4.753   2.090  -6.926
  138   HH12  ARG  17          HH12      ARG  17  -3.207   2.595  -6.315
  139   HH21  ARG  17          HH21      ARG  17  -6.441   4.966  -5.829
  140   HH22  ARG  17          HH22      ARG  17  -6.603   3.438  -6.641
  141    H    CYS  18           HN       CYS  18   1.584   2.388  -3.892
  142    HA   CYS  18           HA       CYS  18   2.821   2.475  -1.254
  143    HB2  CYS  18           HB2      CYS  18   4.347   0.732  -2.316
  144    HB3  CYS  18           HB1      CYS  18   2.659   0.275  -2.098
  145    H    ASP  19           HN       ASP  19   4.613   3.535  -0.809
  146    HA   ASP  19           HA       ASP  19   6.386   4.380  -2.980
  147    HB2  ASP  19           HB2      ASP  19   4.933   6.310  -2.267
  148    HB3  ASP  19           HB1      ASP  19   5.634   6.171  -0.659
  149    HA   DPR  20           HA       DPR  20   9.645   2.848  -0.354
  150    HB2  DPR  20           HB2      DPR  20  10.307   0.885  -1.293
  151    HB3  DPR  20           HB1      DPR  20   8.727   0.133  -1.054
  152    HG2  DPR  20           HG2      DPR  20   9.668   1.895  -3.276
  153    HG3  DPR  20           HG1      DPR  20   8.643   0.450  -3.344
  154    HD2  DPR  20           HD2      DPR  20   7.621   2.928  -3.512
  155    HD3  DPR  20           HD1      DPR  20   6.749   1.613  -2.701
  156    HA   PRO  21           HA       PRO  21   7.975   0.832   3.293
  157    HB2  PRO  21           HB2      PRO  21   8.898   2.592   5.092
  158    HB3  PRO  21           HB1      PRO  21   9.974   1.458   4.269
  159    HG2  PRO  21           HG2      PRO  21   9.472   4.348   3.690
  160    HG3  PRO  21           HG1      PRO  21  11.009   3.468   3.727
  161    HD2  PRO  21           HD2      PRO  21   9.659   4.056   1.424
  162    HD3  PRO  21           HD1      PRO  21  10.737   2.659   1.600
  163    H    ARG  22           HN       ARG  22   7.072   3.782   1.900
  164    HA   ARG  22           HA       ARG  22   5.065   4.312   3.991
  165    HB2  ARG  22           HB2      ARG  22   5.944   6.101   1.715
  166    HB3  ARG  22           HB1      ARG  22   4.863   6.541   3.029
  167    HG2  ARG  22           HG2      ARG  22   7.778   5.841   3.288
  168    HG3  ARG  22           HG1      ARG  22   7.080   7.458   3.378
  169    HD2  ARG  22           HD2      ARG  22   5.858   6.857   5.382
  170    HD3  ARG  22           HD1      ARG  22   6.426   5.192   5.262
  171    HE   ARG  22           HE       ARG  22   8.671   6.845   5.363
  172   HH11  ARG  22          HH11      ARG  22   5.990   5.945   7.432
  173   HH12  ARG  22          HH12      ARG  22   6.884   6.183   8.899
  174   HH21  ARG  22          HH21      ARG  22   9.070   6.860   8.822
  175   HH22  ARG  22          HH22      ARG  22   9.843   7.152   7.294
  176    H    TYR  23           HN       TYR  23   2.874   4.829   3.273
  177    HA   TYR  23           HA       TYR  23   2.094   4.132   0.606
  178    HB2  TYR  23           HB2      TYR  23   0.787   2.158   1.172
  179    HB3  TYR  23           HB1      TYR  23   2.484   1.903   1.552
  180    HD1  TYR  23           HD1      TYR  23  -0.875   2.189   2.879
  181    HD2  TYR  23           HD2      TYR  23   3.234   1.854   3.906
  182    HE1  TYR  23           HE1      TYR  23  -1.508   1.566   5.166
  183    HE2  TYR  23           HE2      TYR  23   2.615   1.226   6.202
  184    HH   TYR  23           HH       TYR  23  -0.581   0.370   7.056
  185    H    GLU  24           HN       GLU  24  -0.065   4.575   0.164
  186    HA   GLU  24           HA       GLU  24  -1.559   5.904   2.328
  187    HB2  GLU  24           HB2      GLU  24  -1.493   6.623  -0.609
  188    HB3  GLU  24           HB1      GLU  24  -2.504   7.399   0.597
  189    HG2  GLU  24           HG2      GLU  24   0.503   7.398   0.583
  190    HG3  GLU  24           HG1      GLU  24  -0.523   8.724   0.041
  191    HN1  MVA  25           HM1      MEV  25  -4.575   5.286   3.585
  192    HN2  MVA  25           HM2      MEV  25  -3.313   6.318   2.921
  193    HN3  MVA  25           HM3      MEV  25  -2.882   4.845   3.788
  194    HA   MVA  25           HA       MEV  25  -4.559   3.120   0.612
  195    HB   MVA  25           HB       MEV  25  -5.524   1.683   2.154
  196   HG11  MVA  25          HG11      MEV  25  -3.708   1.045   3.666
  197   HG12  MVA  25          HG12      MEV  25  -2.912   2.582   3.329
  198   HG13  MVA  25          HG13      MEV  25  -3.146   1.409   2.034
  199   HG21  MVA  25          HG21      MEV  25  -5.840   2.046   4.499
  200   HG22  MVA  25          HG22      MEV  25  -6.551   3.400   3.619
  201   HG23  MVA  25          HG23      MEV  25  -4.994   3.590   4.425
  202    H    HIS  26           HN       HIS  26  -6.624   2.978   0.025
  203    HA   HIS  26           HA       HIS  26  -8.545   4.873   1.159
  204    HB2  HIS  26           HB2      HIS  26  -7.883   4.564  -1.763
  205    HB3  HIS  26           HB1      HIS  26  -9.384   5.284  -1.202
  206    HD1  HIS  26           HD1      HIS  26  -9.277   7.662  -0.257
  207    HD2  HIS  26           HD2      HIS  26  -5.570   6.132  -1.353
  208    HE1  HIS  26           HE1      HIS  26  -7.706   9.621  -0.236
  209    HE2  HIS  26           HE2      HIS  26  -5.518   8.705  -1.075
  210    H    CYS  27           HN       CYS  27  -9.989   3.544   2.006
  211    HA   CYS  27           HA       CYS  27 -10.601   1.006   0.750
  212    HB2  CYS  27           HB2      CYS  27 -11.644   2.238   3.307
  213    HB3  CYS  27           HB1      CYS  27 -11.947   0.590   2.769
  214    HN1  NH2  28           HN1      NH2  28 -12.445   3.817   1.884
  215    HN2  NH2  28           HN2      NH2  28 -13.731   3.653   0.742