*HEADER    DE NOVO PROTEIN                         20-JUL-18   6E5J              
*TITLE     HETEROGENEOUS-BACKBONE MIMICS OF A DESIGNED DISULFIDE-RICH PROTEIN:   
*TITLE    2 AIB TURN, BETA3 HELIX, N-METHYL HAIRPIN                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED PEPTIDE NC_HEE_D1: AIB TURN, BETA3 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   2   15-NOV-23 6E5J    1                                                
*REVDAT   1   21-NOV-18 6E5J    0                                                
# Restraints file 1: ambig.tbl
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   15 and name   HN) 3.311 1.371 1.371 weight 1.000 ! spec=NOESY, no=15, id=12, vol=1.060000e+07
    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)
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   18 and name   HN)
    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)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   15 and name   HN)
    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   16 and name HG12) (segid "    " and resid   14 and name   HN) 3.573 1.595 1.595 weight 1.000 ! spec=NOESY, no=16, id=13, vol=6.720000e+06
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   14 and name   HN)
    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   16 and name HG12) (segid "    " and resid   16 and name   HB) 1.987 0.494 0.494 weight 1.000 ! spec=NOESY, no=18, id=15, vol=2.270000e+08
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   16 and name   HB)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   16 and name   HB)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   16 and name   HB)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   16 and name   HB)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   16 and name   HB)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   25 and name   HB)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HB)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   25 and name   HB)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   11 and name   HN) 3.549 1.575 1.575 weight 1.000 ! spec=NOESY, no=20, id=17, vol=6.990000e+06
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   17 and name   HN) 3.200 1.280 1.280 weight 1.000 ! spec=NOESY, no=23, id=20, vol=1.300000e+07
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    8 and name   HN) 3.970 1.970 1.970 weight 1.000 ! spec=NOESY, no=25, id=22, vol=3.570000e+06
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid    8 and name   HN)
    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    7 and name HD22) (segid "    " and resid    8 and name   HN) 3.473 1.508 1.508 weight 1.000 ! spec=NOESY, no=31, id=28, vol=7.960000e+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)
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   25 and name   HB) 2.222 0.617 0.617 weight 1.000 ! spec=NOESY, no=38, id=35, vol=1.160000e+08
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   25 and name   HB)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   25 and name   HB)
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   16 and name   HB)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   16 and name   HB)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   16 and name   HB)
assign (segid "    " and resid    9 and name  HD2) (segid "    " and resid   11 and name  HE1) 3.966 1.966 1.966 weight 1.000 ! spec=NOESY, no=59, id=56, vol=3.590000e+06
    or (segid "    " and resid    9 and name  HD2) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid    9 and name  HD1) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid    9 and name  HD1) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   12 and name HB22) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   12 and name HB22) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   12 and name HB12) (segid "    " and resid   10 and name   HN) 3.316 1.375 1.375 weight 1.000 ! spec=NOESY, no=69, id=66, vol=1.050000e+07
    or (segid "    " and resid   12 and name HB11) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid   12 and name HB13) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid   12 and name HB12) (segid "    " and resid   14 and name   HN)
    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    8 and name  HG2) (segid "    " and resid    8 and name   HN) 2.952 1.089 1.089 weight 1.000 ! spec=NOESY, no=77, id=74, vol=2.110000e+07
    or (segid "    " and resid    9 and name  HG2) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    9 and name  HG1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid   18 and name   HN) 3.755 1.763 1.763 weight 1.000 ! spec=NOESY, no=80, id=77, vol=4.980000e+06
    or (segid "    " and resid   17 and name  HG1) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid    3 and name  HE2) (segid "    " and resid    1 and name HD21) 3.611 1.630 1.630 weight 1.000 ! spec=NOESY, no=96, id=93, vol=6.300000e+06
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    1 and name HD21)
    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    8 and name  HB1) (segid "    " and resid   18 and name   HN) 3.262 1.330 1.330 weight 1.000 ! spec=NOESY, no=107, id=104, vol=1.160000e+07
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    8 and name   HN) 2.452 0.751 0.751 weight 1.000 ! spec=NOESY, no=109, id=106, vol=6.430000e+07
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid   17 and name   HN) 3.333 1.388 1.388 weight 1.000 ! spec=NOESY, no=148, id=145, vol=1.020000e+07
    or (segid "    " and resid   25 and name   HB) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   19 and name   HN) 3.951 1.952 1.952 weight 1.000 ! spec=NOESY, no=160, id=157, vol=3.670000e+06
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   19 and name   HN)
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid    3 and name  HA2) (segid "    " and resid    1 and name HD21) 3.271 1.338 1.338 weight 1.000 ! spec=NOESY, no=169, id=166, vol=1.140000e+07
    or (segid "    " and resid    3 and name  HA1) (segid "    " and resid    1 and name HD21)
    or (segid "    " and resid    9 and name  HA2) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    9 and name  HA2) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid    9 and name  HA1) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    9 and name  HA1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    3 and name  HA2) (segid "    " and resid    3 and name   HB) 2.429 0.738 0.738 weight 1.000 ! spec=NOESY, no=171, id=168, vol=6.800000e+07
    or (segid "    " and resid    3 and name  HA1) (segid "    " and resid    3 and name   HB)
    or (segid "    " and resid    9 and name  HA2) (segid "    " and resid    6 and name   HB)
    or (segid "    " and resid    9 and name  HA1) (segid "    " and resid    6 and name   HB)
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid    3 and name   HB) 2.279 0.649 0.649 weight 1.000 ! spec=NOESY, no=175, id=172, vol=9.960000e+07
    or (segid "    " and resid    6 and name  HA1) (segid "    " and resid    3 and name   HB)
    or (segid "    " and resid    6 and name  HA2) (segid "    " and resid    6 and name   HB)
    or (segid "    " and resid    6 and name  HA1) (segid "    " and resid    6 and name   HB)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   26 and name   HN) 3.286 1.350 1.350 weight 1.000 ! spec=NOESY, no=181, id=178, vol=1.110000e+07
    or (segid "    " and resid   15 and name  HG2) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name   HN) 2.476 0.766 0.766 weight 1.000 ! spec=NOESY, no=183, id=180, vol=6.060000e+07
    or (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   16 and name HG12) 2.857 1.020 1.020 weight 1.000 ! spec=NOESY, no=189, id=186, vol=2.570000e+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)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   25 and name HG22)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   25 and name HG21)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   25 and name HG23)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   10 and name   HN) 3.464 1.500 1.500 weight 1.000 ! spec=NOESY, no=191, id=188, vol=8.080000e+06
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid    8 and name   HN) 3.913 1.914 1.914 weight 1.000 ! spec=NOESY, no=195, id=192, vol=3.890000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    3 and name   HB) 3.276 1.342 1.342 weight 1.000 ! spec=NOESY, no=197, id=194, vol=1.130000e+07
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name   HB)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    5 and name  HE2) (segid "    " and resid    4 and name   HN) 4.016 2.016 2.016 weight 1.000 ! spec=NOESY, no=226, id=223, vol=3.330000e+06
    or (segid "    " and resid    5 and name  HE1) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   18 and name  HB1) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   25 and name HG22) 2.630 0.865 0.865 weight 1.000 ! spec=NOESY, no=237, id=234, vol=4.220000e+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)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   16 and name HG12)
    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   17 and name  HD2) (segid "    " and resid   18 and name   HN) 3.243 1.315 1.315 weight 1.000 ! spec=NOESY, no=242, id=239, vol=1.200000e+07
    or (segid "    " and resid   17 and name  HD1) (segid "    " and resid   18 and name   HN)
    or (segid "    " and resid   26 and name  HB1) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   17 and name   HN) 3.595 1.616 1.616 weight 1.000 ! spec=NOESY, no=272, id=269, vol=6.470000e+06
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid    5 and name   HA) 3.226 1.301 1.301 weight 1.000 ! spec=NOESY, no=274, id=271, vol=1.240000e+07
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HD1) 3.061 1.171 1.171 weight 1.000 ! spec=NOESY, no=297, id=293, vol=1.700000e+07
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    3 and name   HB) (segid "    " and resid    6 and name   HN) 2.848 1.014 1.014 weight 1.000 ! spec=NOESY, no=302, id=298, vol=2.620000e+07
    or (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.337 0.683 0.683 weight 1.000 ! spec=NOESY, no=310, id=306, vol=8.580000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name  HB1) 3.217 1.294 1.294 weight 1.000 ! spec=NOESY, no=325, id=321, vol=1.260000e+07
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HG1)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name   HB) 2.732 0.933 0.933 weight 1.000 ! spec=NOESY, no=377, id=372, vol=3.360000e+07
    or (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HB)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HM1) 2.786 0.970 0.970 weight 1.000 ! spec=NOESY, no=380, id=375, vol=2.990000e+07
    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)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name  HM1)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name  HM2)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name  HM3)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name  HD2) 3.413 1.456 1.456 weight 1.000 ! spec=NOESY, no=384, id=379, vol=8.840000e+06
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HD2)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB2) 2.096 0.549 0.549 weight 1.000 ! spec=NOESY, no=385, id=380, vol=1.650000e+08
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB2)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 2.692 0.906 0.906 weight 1.000 ! spec=NOESY, no=395, id=390, vol=3.670000e+07
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG12) 2.333 0.680 0.680 weight 1.000 ! spec=NOESY, no=401, id=396, vol=8.670000e+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)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   25 and name HG22)
    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   16 and name   HA) (segid "    " and resid   26 and name  HB2) 2.943 1.083 1.083 weight 1.000 ! spec=NOESY, no=408, id=403, vol=2.150000e+07
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name   HN) 3.861 1.863 1.863 weight 1.000 ! spec=NOESY, no=412, id=407, vol=4.220000e+06
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 2.598 0.844 0.844 weight 1.000 ! spec=NOESY, no=416, id=411, vol=4.540000e+07
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB1)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name  HG2) 3.422 1.464 1.464 weight 1.000 ! spec=NOESY, no=421, id=416, vol=8.700000e+06
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name   HB)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   23 and name  HD1) 3.582 1.604 1.604 weight 1.000 ! spec=NOESY, no=426, id=421, vol=6.610000e+06
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid    5 and name   HN) 3.761 1.768 1.768 weight 1.000 ! spec=NOESY, no=430, id=425, vol=4.940000e+06
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid    5 and name   HN)
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name   HN) 3.322 1.379 1.379 weight 1.000 ! spec=NOESY, no=451, id=446, vol=1.040000e+07
    or (segid "    " and resid   12 and name   HN) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    9 and name  HD2) 3.587 1.608 1.608 weight 1.000 ! spec=NOESY, no=457, id=452, vol=6.560000e+06
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid    9 and name  HD1)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   12 and name HB22)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   12 and name HB21)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   12 and name HB23)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name   HA) 2.652 0.879 0.879 weight 1.000 ! spec=NOESY, no=465, id=460, vol=4.020000e+07
    or (segid "    " and resid    7 and name   HN) (segid "    " and resid    3 and name   HB)
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HB) 2.581 0.832 0.832 weight 1.000 ! spec=NOESY, no=466, id=461, vol=4.730000e+07
    or (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name   HA)
# Restraints file 2: unambig.tbl
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   24 and name   HN) 3.618 1.636 1.636 weight 1.000 ! spec=NOESY, no=3, id=0, vol=6.230000e+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   25 and name HG12) (segid "    " and resid   11 and name  HE1) 3.111 1.210 1.210 weight 1.000 ! spec=NOESY, no=6, id=3, vol=1.540000e+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   25 and name HG12) (segid "    " and resid   17 and name   HN) 3.344 1.397 1.397 weight 1.000 ! spec=NOESY, no=7, id=4, vol=1.000000e+07
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   25 and name   HB) 2.314 0.670 0.670 weight 1.000 ! spec=NOESY, no=8, id=5, vol=9.090000e+07
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   25 and name   HB)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   25 and name   HB)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   26 and name   HN) 3.508 1.538 1.538 weight 1.000 ! spec=NOESY, no=9, id=6, vol=7.500000e+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   25 and name HG12) (segid "    " and resid   11 and name  HD1) 3.281 1.346 1.346 weight 1.000 ! spec=NOESY, no=10, id=7, vol=1.120000e+07
    or (segid "    " and resid   25 and name HG12) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   25 and name HG11) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   25 and name HG13) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   16 and name HG22) 2.512 0.789 0.789 weight 1.000 ! spec=NOESY, no=11, id=8, vol=5.560000e+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   25 and name HG12) (segid "    " and resid   25 and name HG22) 1.976 0.488 0.488 weight 1.000 ! spec=NOESY, no=12, id=9, vol=2.350000e+08
    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   25 and name HG22) (segid "    " and resid   27 and name   HN) 3.685 1.697 1.697 weight 1.000 ! spec=NOESY, no=13, id=10, vol=5.580000e+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 HG22) (segid "    " and resid   26 and name   HN) 2.737 0.937 0.937 weight 1.000 ! spec=NOESY, no=14, id=11, vol=3.320000e+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   25 and name HG22) (segid "    " and resid   11 and name  HD1) 2.666 0.889 0.889 weight 1.000 ! spec=NOESY, no=17, id=14, vol=3.890000e+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   25 and name HG22) (segid "    " and resid   11 and name  HE1) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=19, id=16, vol=1.990000e+07
    or (segid "    " and resid   25 and name HG22) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   25 and name HG21) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   25 and name HG23) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    3 and name  HA2) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY, no=21, id=18, vol=1.560000e+07
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid    3 and name  HA1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    3 and name  HA2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    3 and name  HA1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    3 and name  HA2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    3 and name  HA1)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid    9 and name   HB) 5.161 3.330 3.330 weight 1.000 ! spec=NOESY, no=22, id=19, vol=7.390000e+05
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    9 and name   HB)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    9 and name   HB)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid    8 and name   HA) 2.896 1.048 1.048 weight 1.000 ! spec=NOESY, no=24, id=21, vol=2.370000e+07
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name   HA) 3.572 1.595 1.595 weight 1.000 ! spec=NOESY, no=26, id=23, vol=6.730000e+06
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid   16 and name HG12) (segid "    " and resid   16 and name HG22) 1.806 0.408 0.408 weight 1.000 ! spec=NOESY, no=27, id=24, vol=4.020000e+08
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   16 and name HG12) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   16 and name HG11) (segid "    " and resid   16 and name HG23)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   16 and name HG22)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   16 and name HG13) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HD1) 2.971 1.104 1.104 weight 1.000 ! spec=NOESY, no=28, id=25, vol=2.030000e+07
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HE1) 3.286 1.350 1.350 weight 1.000 ! spec=NOESY, no=29, id=26, vol=1.110000e+07
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name   HN) 3.579 1.601 1.601 weight 1.000 ! spec=NOESY, no=30, id=27, vol=6.650000e+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    7 and name HD22) (segid "    " and resid    7 and name   HA) 2.655 0.881 0.881 weight 1.000 ! spec=NOESY, no=32, id=29, vol=3.990000e+07
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   11 and name  HE1) 2.967 1.100 1.100 weight 1.000 ! spec=NOESY, no=33, id=30, vol=2.050000e+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    7 and name HD22) (segid "    " and resid    7 and name   HN) 3.588 1.609 1.609 weight 1.000 ! spec=NOESY, no=34, id=31, vol=6.550000e+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    7 and name HD22) (segid "    " and resid   11 and name  HD1) 3.049 1.162 1.162 weight 1.000 ! spec=NOESY, no=35, id=32, vol=1.740000e+07
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   16 and name HG22) (segid "    " and resid   17 and name   HN) 2.733 0.934 0.934 weight 1.000 ! spec=NOESY, no=36, id=33, vol=3.350000e+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   16 and name HG22) (segid "    " and resid   24 and name   HN) 3.213 1.290 1.290 weight 1.000 ! spec=NOESY, no=37, id=34, vol=1.270000e+07
    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   16 and name HG22) (segid "    " and resid   25 and name  HM1) 3.755 1.763 1.763 weight 1.000 ! spec=NOESY, no=41, id=38, vol=4.980000e+06
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   25 and name  HM2)
    or (segid "    " and resid   16 and name HG22) (segid "    " and resid   25 and name  HM3)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   25 and name  HM1)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   25 and name  HM2)
    or (segid "    " and resid   16 and name HG21) (segid "    " and resid   25 and name  HM3)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   25 and name  HM1)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   25 and name  HM2)
    or (segid "    " and resid   16 and name HG23) (segid "    " and resid   25 and name  HM3)
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name   HA) 3.271 1.338 1.338 weight 1.000 ! spec=NOESY, no=42, id=39, vol=1.140000e+07
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name   HE) 2.649 0.877 0.877 weight 1.000 ! spec=NOESY, no=43, id=40, vol=4.040000e+07
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name   HN) 3.217 1.294 1.294 weight 1.000 ! spec=NOESY, no=44, id=41, vol=1.260000e+07
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HA) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=46, id=43, vol=1.990000e+07
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HN) 3.405 1.449 1.449 weight 1.000 ! spec=NOESY, no=47, id=44, vol=8.960000e+06
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HE) 3.799 1.804 1.804 weight 1.000 ! spec=NOESY, no=48, id=45, vol=4.650000e+06
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name   HN) 3.118 1.215 1.215 weight 1.000 ! spec=NOESY, no=49, id=46, vol=1.520000e+07
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    9 and name   HN) 3.338 1.393 1.393 weight 1.000 ! spec=NOESY, no=50, id=47, vol=1.010000e+07
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HN) 3.291 1.354 1.354 weight 1.000 ! spec=NOESY, no=51, id=48, vol=1.100000e+07
assign (segid "    " and resid    5 and name  HG1) (segid "    " and resid    5 and name   HN) 3.122 1.218 1.218 weight 1.000 ! spec=NOESY, no=52, id=49, vol=1.510000e+07
assign (segid "    " and resid    9 and name  HD2) (segid "    " and resid    9 and name   HN) 3.428 1.469 1.469 weight 1.000 ! spec=NOESY, no=53, id=50, vol=8.610000e+06
    or (segid "    " and resid    9 and name  HD1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name   HN) 3.327 1.384 1.384 weight 1.000 ! spec=NOESY, no=54, id=51, vol=1.030000e+07
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   11 and name   HN) 3.840 1.843 1.843 weight 1.000 ! spec=NOESY, no=55, id=52, vol=4.360000e+06
    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   12 and name HB22) (segid "    " and resid   14 and name   HN) 3.239 1.311 1.311 weight 1.000 ! spec=NOESY, no=56, id=53, vol=1.210000e+07
    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   12 and name HB22) (segid "    " and resid   13 and name  HA2) 3.882 1.884 1.884 weight 1.000 ! spec=NOESY, no=57, id=54, vol=4.080000e+06
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   13 and name  HA2)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   13 and name  HA2)
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   13 and name  HA1) 3.810 1.814 1.814 weight 1.000 ! spec=NOESY, no=58, id=55, vol=4.570000e+06
    or (segid "    " and resid   12 and name HB21) (segid "    " and resid   13 and name  HA1)
    or (segid "    " and resid   12 and name HB23) (segid "    " and resid   13 and name  HA1)
assign (segid "    " and resid   12 and name HB22) (segid "    " and resid   13 and name   HN) 2.769 0.958 0.958 weight 1.000 ! spec=NOESY, no=60, id=57, vol=3.100000e+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   12 and name HB22) (segid "    " and resid   12 and name   HN) 2.740 0.939 0.939 weight 1.000 ! spec=NOESY, no=61, id=58, vol=3.300000e+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    7 and name   HG) (segid "    " and resid    7 and name   HN) 2.945 1.084 1.084 weight 1.000 ! spec=NOESY, no=63, id=60, vol=2.140000e+07
assign (segid "    " and resid    7 and name   HG) (segid "    " and resid   11 and name  HE1) 3.950 1.950 1.950 weight 1.000 ! spec=NOESY, no=65, id=62, vol=3.680000e+06
    or (segid "    " and resid    7 and name   HG) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   12 and name HB12) (segid "    " and resid   13 and name  HA1) 3.726 1.736 1.736 weight 1.000 ! spec=NOESY, no=66, id=63, vol=5.220000e+06
    or (segid "    " and resid   12 and name HB11) (segid "    " and resid   13 and name  HA1)
    or (segid "    " and resid   12 and name HB13) (segid "    " and resid   13 and name  HA1)
assign (segid "    " and resid   12 and name HB12) (segid "    " and resid   13 and name   HN) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=67, id=64, vol=5.120000e+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   12 and name HB12) (segid "    " and resid   11 and name   HN) 3.436 1.476 1.476 weight 1.000 ! spec=NOESY, no=68, id=65, vol=8.490000e+06
    or (segid "    " and resid   12 and name HB11) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid   12 and name HB13) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   12 and name HB12) (segid "    " and resid   12 and name   HN) 2.721 0.926 0.926 weight 1.000 ! spec=NOESY, no=70, id=67, vol=3.440000e+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   12 and name HB12) (segid "    " and resid   13 and name  HA2) 3.729 1.738 1.738 weight 1.000 ! spec=NOESY, no=72, id=69, vol=5.200000e+06
    or (segid "    " and resid   12 and name HB11) (segid "    " and resid   13 and name  HA2)
    or (segid "    " and resid   12 and name HB13) (segid "    " and resid   13 and name  HA2)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name   HN) 2.810 0.987 0.987 weight 1.000 ! spec=NOESY, no=73, id=70, vol=2.840000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HN) 2.585 0.835 0.835 weight 1.000 ! spec=NOESY, no=74, id=71, vol=4.680000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HE1) 3.737 1.746 1.746 weight 1.000 ! spec=NOESY, no=75, id=72, vol=5.130000e+06
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HD1) 3.070 1.178 1.178 weight 1.000 ! spec=NOESY, no=76, id=73, vol=1.670000e+07
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name   HN) 2.688 0.903 0.903 weight 1.000 ! spec=NOESY, no=78, id=75, vol=3.700000e+07
    or (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name   HE) 3.333 1.388 1.388 weight 1.000 ! spec=NOESY, no=79, id=76, vol=1.020000e+07
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name  HD2) 2.692 0.906 0.906 weight 1.000 ! spec=NOESY, no=81, id=78, vol=3.670000e+07
    or (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name  HD1)
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name   HN) 2.667 0.889 0.889 weight 1.000 ! spec=NOESY, no=82, id=79, vol=3.880000e+07
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name   HN) 3.316 1.375 1.375 weight 1.000 ! spec=NOESY, no=83, id=80, vol=1.050000e+07
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    4 and name   HN) 3.565 1.588 1.588 weight 1.000 ! spec=NOESY, no=84, id=81, vol=6.810000e+06
    or (segid "    " and resid    3 and name  HG1) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   26 and name  HD2) 4.316 2.329 2.329 weight 1.000 ! spec=NOESY, no=85, id=82, vol=2.160000e+06
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN) 2.580 0.832 0.832 weight 1.000 ! spec=NOESY, no=86, id=83, vol=4.740000e+07
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    8 and name   HN) 4.156 2.159 2.159 weight 1.000 ! spec=NOESY, no=87, id=84, vol=2.710000e+06
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HN) 2.725 0.928 0.928 weight 1.000 ! spec=NOESY, no=88, id=85, vol=3.410000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HD2) 2.378 0.707 0.707 weight 1.000 ! spec=NOESY, no=89, id=86, vol=7.730000e+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   17 and name  HG2) (segid "    " and resid   18 and name   HN) 3.580 1.602 1.602 weight 1.000 ! spec=NOESY, no=90, id=87, vol=6.640000e+06
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   23 and name   HN) 3.239 1.311 1.311 weight 1.000 ! spec=NOESY, no=91, id=88, vol=1.210000e+07
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name  HD2) 2.630 0.865 0.865 weight 1.000 ! spec=NOESY, no=92, id=89, vol=4.220000e+07
    or (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name  HD1)
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name   HE) 3.455 1.492 1.492 weight 1.000 ! spec=NOESY, no=93, id=90, vol=8.220000e+06
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HE) 3.719 1.729 1.729 weight 1.000 ! spec=NOESY, no=94, id=91, vol=5.280000e+06
    or (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name   HE)
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name   HN) 3.248 1.319 1.319 weight 1.000 ! spec=NOESY, no=95, id=92, vol=1.190000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name   HN) 3.115 1.213 1.213 weight 1.000 ! spec=NOESY, no=97, id=94, vol=1.530000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HN) 2.640 0.871 0.871 weight 1.000 ! spec=NOESY, no=99, id=96, vol=4.130000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HE) 3.841 1.844 1.844 weight 1.000 ! spec=NOESY, no=100, id=97, vol=4.350000e+06
assign (segid "    " and resid    5 and name  HD2) (segid "    " and resid    5 and name   HN) 3.306 1.366 1.366 weight 1.000 ! spec=NOESY, no=101, id=98, vol=1.070000e+07
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    6 and name  HG1) (segid "    " and resid    6 and name   HN) 2.663 0.886 0.886 weight 1.000 ! spec=NOESY, no=102, id=99, vol=3.920000e+07
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HD2) 2.760 0.952 0.952 weight 1.000 ! spec=NOESY, no=103, id=100, vol=3.160000e+07
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HD1)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HN) 2.605 0.848 0.848 weight 1.000 ! spec=NOESY, no=104, id=101, vol=4.470000e+07
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   24 and name   HN) 3.306 1.366 1.366 weight 1.000 ! spec=NOESY, no=106, id=103, vol=1.070000e+07
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name   HN) 3.257 1.326 1.326 weight 1.000 ! spec=NOESY, no=108, id=105, vol=1.170000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name  HD1) 3.492 1.524 1.524 weight 1.000 ! spec=NOESY, no=110, id=107, vol=7.710000e+06
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.559 0.818 0.818 weight 1.000 ! spec=NOESY, no=111, id=108, vol=4.980000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN) 2.587 0.837 0.837 weight 1.000 ! spec=NOESY, no=112, id=109, vol=4.660000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    6 and name   HN) 3.322 1.379 1.379 weight 1.000 ! spec=NOESY, no=113, id=110, vol=1.040000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.779 0.966 0.966 weight 1.000 ! spec=NOESY, no=114, id=111, vol=3.030000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    6 and name   HN) 3.165 1.252 1.252 weight 1.000 ! spec=NOESY, no=115, id=112, vol=1.390000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HN) 2.830 1.001 1.001 weight 1.000 ! spec=NOESY, no=116, id=113, vol=2.720000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    9 and name   HN) 3.221 1.297 1.297 weight 1.000 ! spec=NOESY, no=117, id=114, vol=1.250000e+07
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   18 and name   HN) 2.880 1.037 1.037 weight 1.000 ! spec=NOESY, no=118, id=115, vol=2.450000e+07
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name  HD2) 2.671 0.892 0.892 weight 1.000 ! spec=NOESY, no=119, id=116, vol=3.850000e+07
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name  HD1)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HN) 2.690 0.904 0.904 weight 1.000 ! spec=NOESY, no=120, id=117, vol=3.690000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HE) 3.020 1.140 1.140 weight 1.000 ! spec=NOESY, no=121, id=118, vol=1.840000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HE)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   23 and name   HN) 2.696 0.908 0.908 weight 1.000 ! spec=NOESY, no=122, id=119, vol=3.640000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   19 and name   HN) 3.085 1.190 1.190 weight 1.000 ! spec=NOESY, no=123, id=120, vol=1.620000e+07
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    7 and name   HN) 3.459 1.495 1.495 weight 1.000 ! spec=NOESY, no=125, id=122, vol=8.160000e+06
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.259 0.638 0.638 weight 1.000 ! spec=NOESY, no=126, id=123, vol=1.050000e+08
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    6 and name   HN) 3.262 1.330 1.330 weight 1.000 ! spec=NOESY, no=127, id=124, vol=1.160000e+07
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HD2) 2.728 0.930 0.930 weight 1.000 ! spec=NOESY, no=128, id=125, vol=3.390000e+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   24 and name  HB1) (segid "    " and resid   24 and name   HN) 2.578 0.831 0.831 weight 1.000 ! spec=NOESY, no=129, id=126, vol=4.760000e+07
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HD2) 2.462 0.758 0.758 weight 1.000 ! spec=NOESY, no=130, id=127, vol=6.270000e+07
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HD1) 2.600 0.845 0.845 weight 1.000 ! spec=NOESY, no=131, id=128, vol=4.520000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HD1) 2.859 1.022 1.022 weight 1.000 ! spec=NOESY, no=132, id=129, vol=2.560000e+07
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HD2) 3.188 1.271 1.271 weight 1.000 ! spec=NOESY, no=133, id=130, vol=1.330000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   17 and name   HN) 2.908 1.057 1.057 weight 1.000 ! spec=NOESY, no=134, id=131, vol=2.310000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HN) 3.034 1.151 1.151 weight 1.000 ! spec=NOESY, no=135, id=132, vol=1.790000e+07
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   26 and name  HD2) 4.012 2.012 2.012 weight 1.000 ! spec=NOESY, no=136, id=133, vol=3.350000e+06
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name  HM1) 2.729 0.931 0.931 weight 1.000 ! spec=NOESY, no=137, id=134, vol=3.380000e+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   20 and name  HG1) (segid "    " and resid   20 and name  HD2) 2.511 0.788 0.788 weight 1.000 ! spec=NOESY, no=138, id=135, vol=5.570000e+07
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name  HD1) 2.701 0.912 0.912 weight 1.000 ! spec=NOESY, no=139, id=136, vol=3.600000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HD1) 2.416 0.729 0.729 weight 1.000 ! spec=NOESY, no=140, id=137, vol=7.030000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HD2) 2.604 0.848 0.848 weight 1.000 ! spec=NOESY, no=141, id=138, vol=4.480000e+07
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   22 and name   HN) 3.200 1.280 1.280 weight 1.000 ! spec=NOESY, no=142, id=139, vol=1.300000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HN) 2.518 0.793 0.793 weight 1.000 ! spec=NOESY, no=143, id=140, vol=5.480000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   26 and name   HN) 2.930 1.073 1.073 weight 1.000 ! spec=NOESY, no=144, id=141, vol=2.210000e+07
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD2) 2.736 0.936 0.936 weight 1.000 ! spec=NOESY, no=145, id=142, vol=3.330000e+07
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD1) 2.485 0.772 0.772 weight 1.000 ! spec=NOESY, no=146, id=143, vol=5.940000e+07
assign (segid "    " and resid   16 and name   HB) (segid "    " and resid    8 and name   HA) 3.618 1.636 1.636 weight 1.000 ! spec=NOESY, no=147, id=144, vol=6.230000e+06
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HD1) 2.945 1.084 1.084 weight 1.000 ! spec=NOESY, no=150, id=147, vol=2.140000e+07
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HD1)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   22 and name   HN) 3.828 1.832 1.832 weight 1.000 ! spec=NOESY, no=151, id=148, vol=4.440000e+06
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HD2) 3.464 1.500 1.500 weight 1.000 ! spec=NOESY, no=152, id=149, vol=8.090000e+06
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HD2)
assign (segid "    " and resid    6 and name  HD1) (segid "    " and resid    6 and name   HB) 2.878 1.035 1.035 weight 1.000 ! spec=NOESY, no=153, id=150, vol=2.460000e+07
assign (segid "    " and resid    6 and name  HD1) (segid "    " and resid    6 and name   HN) 3.327 1.384 1.384 weight 1.000 ! spec=NOESY, no=154, id=151, vol=1.030000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HD1) 3.322 1.379 1.379 weight 1.000 ! spec=NOESY, no=155, id=152, vol=1.040000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HD2) 3.184 1.268 1.268 weight 1.000 ! spec=NOESY, no=156, id=153, vol=1.340000e+07
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HN) 2.969 1.102 1.102 weight 1.000 ! spec=NOESY, no=157, id=154, vol=2.040000e+07
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name  HD1) 3.105 1.205 1.205 weight 1.000 ! spec=NOESY, no=158, id=155, vol=1.560000e+07
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name  HD2) 3.374 1.423 1.423 weight 1.000 ! spec=NOESY, no=159, id=156, vol=9.470000e+06
assign (segid "    " and resid    6 and name  HD2) (segid "    " and resid    6 and name   HB) 3.040 1.155 1.155 weight 1.000 ! spec=NOESY, no=161, id=158, vol=1.770000e+07
assign (segid "    " and resid    6 and name  HD2) (segid "    " and resid    6 and name   HN) 3.143 1.235 1.235 weight 1.000 ! spec=NOESY, no=162, id=159, vol=1.450000e+07
assign (segid "    " and resid    9 and name  HA2) (segid "    " and resid   10 and name   HN) 2.189 0.599 0.599 weight 1.000 ! spec=NOESY, no=164, id=161, vol=1.270000e+08
    or (segid "    " and resid    9 and name  HA1) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    9 and name  HA2) (segid "    " and resid    9 and name   HN) 2.643 0.873 0.873 weight 1.000 ! spec=NOESY, no=165, id=162, vol=4.100000e+07
    or (segid "    " and resid    9 and name  HA1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid    9 and name  HA2) (segid "    " and resid    9 and name   HB) 2.323 0.675 0.675 weight 1.000 ! spec=NOESY, no=166, id=163, vol=8.880000e+07
    or (segid "    " and resid    9 and name  HA1) (segid "    " and resid    9 and name   HB)
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   15 and name   HN) 3.217 1.294 1.294 weight 1.000 ! spec=NOESY, no=167, id=164, vol=1.260000e+07
assign (segid "    " and resid    9 and name  HA2) (segid "    " and resid   12 and name   HN) 4.492 2.523 2.523 weight 1.000 ! spec=NOESY, no=168, id=165, vol=1.700000e+06
    or (segid "    " and resid    9 and name  HA1) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   26 and name  HB2) 3.055 1.166 1.166 weight 1.000 ! spec=NOESY, no=170, id=167, vol=1.720000e+07
assign (segid "    " and resid    3 and name  HA2) (segid "    " and resid    3 and name   HN) 2.625 0.861 0.861 weight 1.000 ! spec=NOESY, no=172, id=169, vol=4.270000e+07
    or (segid "    " and resid    3 and name  HA1) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid    3 and name  HA2) (segid "    " and resid    4 and name   HN) 2.239 0.626 0.626 weight 1.000 ! spec=NOESY, no=173, id=170, vol=1.110000e+08
    or (segid "    " and resid    3 and name  HA1) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid    3 and name  HA2) (segid "    " and resid   23 and name  HD1) 4.084 2.085 2.085 weight 1.000 ! spec=NOESY, no=174, id=171, vol=3.010000e+06
    or (segid "    " and resid    3 and name  HA2) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid    3 and name  HA1) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid    3 and name  HA1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid    7 and name   HN) 2.222 0.617 0.617 weight 1.000 ! spec=NOESY, no=176, id=173, vol=1.160000e+08
    or (segid "    " and resid    6 and name  HA1) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid    6 and name   HN) 2.499 0.781 0.781 weight 1.000 ! spec=NOESY, no=177, id=174, vol=5.730000e+07
    or (segid "    " and resid    6 and name  HA1) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid    6 and name  HA2) (segid "    " and resid    8 and name   HN) 4.441 2.466 2.466 weight 1.000 ! spec=NOESY, no=178, id=175, vol=1.820000e+06
    or (segid "    " and resid    6 and name  HA1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN) 2.870 1.030 1.030 weight 1.000 ! spec=NOESY, no=182, id=179, vol=2.500000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name  HB2) 1.849 0.427 0.427 weight 1.000 ! spec=NOESY, no=184, id=181, vol=3.500000e+08
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name HG22) 2.482 0.770 0.770 weight 1.000 ! spec=NOESY, no=185, id=182, vol=5.980000e+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   14 and name  HB1) (segid "    " and resid   27 and name   HN) 3.902 1.903 1.903 weight 1.000 ! spec=NOESY, no=186, id=183, vol=3.960000e+06
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HN) 2.837 1.006 1.006 weight 1.000 ! spec=NOESY, no=187, id=184, vol=2.680000e+07
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   20 and name  HD2) 3.959 1.959 1.959 weight 1.000 ! spec=NOESY, no=188, id=185, vol=3.630000e+06
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   20 and name  HD2) 4.149 2.151 2.151 weight 1.000 ! spec=NOESY, no=190, id=187, vol=2.740000e+06
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.354 0.693 0.693 weight 1.000 ! spec=NOESY, no=192, id=189, vol=8.210000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HN) 2.493 0.777 0.777 weight 1.000 ! spec=NOESY, no=193, id=190, vol=5.820000e+07
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HB2) 1.847 0.426 0.426 weight 1.000 ! spec=NOESY, no=194, id=191, vol=3.520000e+08
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name   HN) 2.884 1.039 1.039 weight 1.000 ! spec=NOESY, no=196, id=193, vol=2.430000e+07
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name   HN)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   14 and name  HB2) 2.964 1.098 1.098 weight 1.000 ! spec=NOESY, no=198, id=195, vol=2.060000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.626 0.862 0.862 weight 1.000 ! spec=NOESY, no=199, id=196, vol=4.260000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   22 and name   HN) 3.530 1.558 1.558 weight 1.000 ! spec=NOESY, no=200, id=197, vol=7.220000e+06
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    3 and name   HN) 3.125 1.221 1.221 weight 1.000 ! spec=NOESY, no=201, id=198, vol=1.500000e+07
    or (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD12) 2.989 1.117 1.117 weight 1.000 ! spec=NOESY, no=202, id=199, vol=1.960000e+07
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD13)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid    7 and name HD12)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   16 and name HG22) 2.528 0.799 0.799 weight 1.000 ! spec=NOESY, no=203, id=200, vol=5.350000e+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)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name HG22)
    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   23 and name  HB2) (segid "    " and resid   23 and name  HD1) 2.129 0.567 0.567 weight 1.000 ! spec=NOESY, no=205, id=202, vol=1.500000e+08
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HE1) 2.862 1.024 1.024 weight 1.000 ! spec=NOESY, no=206, id=203, vol=2.540000e+07
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 2.474 0.765 0.765 weight 1.000 ! spec=NOESY, no=207, id=204, vol=6.100000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 2.610 0.851 0.851 weight 1.000 ! spec=NOESY, no=208, id=205, vol=4.420000e+07
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD22) 3.580 1.602 1.602 weight 1.000 ! spec=NOESY, no=209, id=206, vol=6.640000e+06
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid    7 and name HD22)
    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   23 and name  HB2) (segid "    " and resid   25 and name HG12) 2.943 1.083 1.083 weight 1.000 ! spec=NOESY, no=210, id=207, vol=2.150000e+07
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   25 and name HG11)
    or (segid "    " and resid   23 and name  HB2) (segid "    " and resid   25 and name HG13)
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   25 and name HG12)
    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    4 and name  HB1) (segid "    " and resid   18 and name  HB2) 2.870 1.030 1.030 weight 1.000 ! spec=NOESY, no=211, id=208, vol=2.500000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN) 2.531 0.801 0.801 weight 1.000 ! spec=NOESY, no=212, id=209, vol=5.310000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    5 and name   HN) 3.226 1.301 1.301 weight 1.000 ! spec=NOESY, no=213, id=210, vol=1.240000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name  HB2) 1.817 0.413 0.413 weight 1.000 ! spec=NOESY, no=214, id=211, vol=3.880000e+08
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid   18 and name   HN) 3.375 1.423 1.423 weight 1.000 ! spec=NOESY, no=215, id=212, vol=9.460000e+06
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid   23 and name  HE1) 3.477 1.512 1.512 weight 1.000 ! spec=NOESY, no=216, id=213, vol=7.900000e+06
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   28 and name  HN1) 4.071 2.071 2.071 weight 1.000 ! spec=NOESY, no=217, id=214, vol=3.070000e+06
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   28 and name  HN2) 3.704 1.715 1.715 weight 1.000 ! spec=NOESY, no=218, id=215, vol=5.410000e+06
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HN) 2.482 0.770 0.770 weight 1.000 ! spec=NOESY, no=219, id=216, vol=5.970000e+07
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HB2) 1.786 0.399 0.399 weight 1.000 ! spec=NOESY, no=220, id=217, vol=4.310000e+08
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   20 and name  HD1) 3.345 1.398 1.398 weight 1.000 ! spec=NOESY, no=222, id=219, vol=9.980000e+06
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name  HB2) 1.860 0.433 0.433 weight 1.000 ! spec=NOESY, no=223, id=220, vol=3.370000e+08
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   19 and name   HN) 3.101 1.202 1.202 weight 1.000 ! spec=NOESY, no=224, id=221, vol=1.570000e+07
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HN) 2.524 0.796 0.796 weight 1.000 ! spec=NOESY, no=225, id=222, vol=5.410000e+07
assign (segid "    " and resid   10 and name  HD1) (segid "    " and resid   10 and name   HE) 3.095 1.197 1.197 weight 1.000 ! spec=NOESY, no=227, id=224, vol=1.590000e+07
assign (segid "    " and resid   10 and name  HD2) (segid "    " and resid   10 and name   HE) 3.504 1.535 1.535 weight 1.000 ! spec=NOESY, no=229, id=226, vol=7.550000e+06
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name   HN) 3.115 1.213 1.213 weight 1.000 ! spec=NOESY, no=230, id=227, vol=1.530000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name   HN)
assign (segid "    " and resid   10 and name  HD2) (segid "    " and resid   10 and name   HN) 4.320 2.333 2.333 weight 1.000 ! spec=NOESY, no=231, id=228, vol=2.150000e+06
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name HD22) 3.286 1.350 1.350 weight 1.000 ! spec=NOESY, no=232, id=229, vol=1.110000e+07
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name HD22)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    3 and name   HN) 4.066 2.067 2.067 weight 1.000 ! spec=NOESY, no=233, id=230, vol=3.090000e+06
    or (segid "    " and resid    1 and name  HB1) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD1) 2.394 0.716 0.716 weight 1.000 ! spec=NOESY, no=234, id=231, vol=7.430000e+07
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HN) 2.842 1.010 1.010 weight 1.000 ! spec=NOESY, no=235, id=232, vol=2.650000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   14 and name  HB2) 2.582 0.833 0.833 weight 1.000 ! spec=NOESY, no=236, id=233, vol=4.720000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   14 and name   HN) 3.388 1.435 1.435 weight 1.000 ! spec=NOESY, no=238, id=235, vol=9.230000e+06
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.695 0.908 0.908 weight 1.000 ! spec=NOESY, no=239, id=236, vol=3.650000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    5 and name   HN) 3.018 1.138 1.138 weight 1.000 ! spec=NOESY, no=240, id=237, vol=1.850000e+07
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HN) 2.657 0.883 0.883 weight 1.000 ! spec=NOESY, no=243, id=240, vol=3.970000e+07
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   17 and name   HN) 4.201 2.207 2.207 weight 1.000 ! spec=NOESY, no=244, id=241, vol=2.540000e+06
    or (segid "    " and resid   17 and name  HD1) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HB2) 1.738 0.378 0.378 weight 1.000 ! spec=NOESY, no=245, id=242, vol=5.070000e+08
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HD2) 3.180 1.264 1.264 weight 1.000 ! spec=NOESY, no=246, id=243, vol=1.350000e+07
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   27 and name   HN) 3.354 1.406 1.406 weight 1.000 ! spec=NOESY, no=247, id=244, vol=9.820000e+06
assign (segid "    " and resid   17 and name  HD2) (segid "    " and resid   17 and name   HE) 3.055 1.166 1.166 weight 1.000 ! spec=NOESY, no=248, id=245, vol=1.720000e+07
    or (segid "    " and resid   17 and name  HD1) (segid "    " and resid   17 and name   HE)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name  HN1) 3.423 1.464 1.464 weight 1.000 ! spec=NOESY, no=249, id=246, vol=8.690000e+06
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.962 1.096 1.096 weight 1.000 ! spec=NOESY, no=250, id=247, vol=2.070000e+07
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name  HN2) 3.122 1.218 1.218 weight 1.000 ! spec=NOESY, no=251, id=248, vol=1.510000e+07
assign (segid "    " and resid   25 and name  HM1) (segid "    " and resid   26 and name   HN) 3.467 1.502 1.502 weight 1.000 ! spec=NOESY, no=252, id=249, vol=8.050000e+06
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   25 and name  HM1) (segid "    " and resid   25 and name HG12) 2.486 0.772 0.772 weight 1.000 ! spec=NOESY, no=253, id=250, vol=5.920000e+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   22 and name  HD2) (segid "    " and resid   23 and name  HE1) 3.598 1.618 1.618 weight 1.000 ! spec=NOESY, no=254, id=251, vol=6.440000e+06
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   23 and name  HE2)
    or (segid "    " and resid   22 and name  HD1) (segid "    " and resid   23 and name  HE1)
    or (segid "    " and resid   22 and name  HD1) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   25 and name  HM1) (segid "    " and resid   24 and name   HN) 3.622 1.640 1.640 weight 1.000 ! spec=NOESY, no=256, id=253, vol=6.190000e+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   25 and name  HM1) (segid "    " and resid   24 and name  HG2) 3.064 1.173 1.173 weight 1.000 ! spec=NOESY, no=257, id=254, vol=1.690000e+07
    or (segid "    " and resid   25 and name  HM1) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   24 and name  HG2)
    or (segid "    " and resid   25 and name  HM2) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   24 and name  HG2)
    or (segid "    " and resid   25 and name  HM3) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   23 and name  HD1) 3.457 1.494 1.494 weight 1.000 ! spec=NOESY, no=258, id=255, vol=8.190000e+06
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   22 and name  HD1) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   22 and name  HD1) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   25 and name  HM1) (segid "    " and resid   25 and name HG22) 3.004 1.128 1.128 weight 1.000 ! spec=NOESY, no=259, id=256, vol=1.900000e+07
    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   22 and name  HD2) (segid "    " and resid   22 and name   HE) 3.165 1.252 1.252 weight 1.000 ! spec=NOESY, no=260, id=257, vol=1.390000e+07
    or (segid "    " and resid   22 and name  HD1) (segid "    " and resid   22 and name   HE)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   19 and name   HN) 2.934 1.076 1.076 weight 1.000 ! spec=NOESY, no=262, id=259, vol=2.190000e+07
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HN) 2.597 0.843 0.843 weight 1.000 ! spec=NOESY, no=263, id=260, vol=4.550000e+07
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name  HD2) 3.180 1.264 1.264 weight 1.000 ! spec=NOESY, no=264, id=261, vol=1.350000e+07
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   28 and name  HN1) 4.506 2.538 2.538 weight 1.000 ! spec=NOESY, no=265, id=262, vol=1.670000e+06
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   27 and name   HN) 3.316 1.375 1.375 weight 1.000 ! spec=NOESY, no=266, id=263, vol=1.050000e+07
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HN) 2.668 0.890 0.890 weight 1.000 ! spec=NOESY, no=267, id=264, vol=3.870000e+07
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   23 and name  HE1) 4.096 2.097 2.097 weight 1.000 ! spec=NOESY, no=268, id=265, vol=2.960000e+06
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   23 and name  HD1) 3.803 1.808 1.808 weight 1.000 ! spec=NOESY, no=269, id=266, vol=4.620000e+06
    or (segid "    " and resid   18 and name  HB2) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   15 and name  HB2) 2.011 0.506 0.506 weight 1.000 ! spec=NOESY, no=271, id=268, vol=2.110000e+08
    or (segid "    " and resid   26 and name  HB2) (segid "    " and resid   15 and name  HB1)
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   16 and name HG22) 3.007 1.130 1.130 weight 1.000 ! spec=NOESY, no=275, id=272, vol=1.890000e+07
    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   14 and name  HB2) (segid "    " and resid   15 and name   HN) 3.023 1.142 1.142 weight 1.000 ! spec=NOESY, no=277, id=273, vol=1.830000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   25 and name HG22) 2.692 0.906 0.906 weight 1.000 ! spec=NOESY, no=278, id=274, vol=3.670000e+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   14 and name  HB2) (segid "    " and resid   11 and name   HN) 4.006 2.006 2.006 weight 1.000 ! spec=NOESY, no=279, id=275, vol=3.380000e+06
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name   HN) 2.430 0.738 0.738 weight 1.000 ! spec=NOESY, no=280, id=276, vol=6.780000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   16 and name HG12) 3.243 1.315 1.315 weight 1.000 ! spec=NOESY, no=281, id=277, vol=1.200000e+07
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   16 and name HG11)
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   16 and name HG13)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   26 and name   HN) 3.724 1.733 1.733 weight 1.000 ! spec=NOESY, no=282, id=278, vol=5.240000e+06
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   11 and name  HD1) 3.606 1.626 1.626 weight 1.000 ! spec=NOESY, no=283, id=279, vol=6.350000e+06
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   20 and name  HD1) (segid "    " and resid   19 and name   HN) 3.366 1.417 1.417 weight 1.000 ! spec=NOESY, no=284, id=280, vol=9.600000e+06
assign (segid "    " and resid   20 and name  HD1) (segid "    " and resid   20 and name  HD2) 1.886 0.445 0.445 weight 1.000 ! spec=NOESY, no=285, id=281, vol=3.100000e+08
assign (segid "    " and resid   21 and name  HD1) (segid "    " and resid   22 and name   HN) 3.262 1.330 1.330 weight 1.000 ! spec=NOESY, no=286, id=282, vol=1.160000e+07
assign (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HD2) 1.854 0.430 0.430 weight 1.000 ! spec=NOESY, no=287, id=283, vol=3.440000e+08
assign (segid "    " and resid   20 and name  HD2) (segid "    " and resid   19 and name   HN) 3.886 1.887 1.887 weight 1.000 ! spec=NOESY, no=288, id=284, vol=4.060000e+06
assign (segid "    " and resid   13 and name  HA1) (segid "    " and resid   14 and name   HN) 2.962 1.096 1.096 weight 1.000 ! spec=NOESY, no=289, id=285, vol=2.070000e+07
assign (segid "    " and resid   13 and name  HA1) (segid "    " and resid   13 and name  HA2) 1.690 0.357 0.357 weight 1.000 ! spec=NOESY, no=290, id=286, vol=6.000000e+08
assign (segid "    " and resid   13 and name  HA1) (segid "    " and resid   13 and name   HN) 2.392 0.715 0.715 weight 1.000 ! spec=NOESY, no=291, id=287, vol=7.450000e+07
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   22 and name   HN) 2.793 0.975 0.975 weight 1.000 ! spec=NOESY, no=292, id=288, vol=2.940000e+07
assign (segid "    " and resid   13 and name  HA2) (segid "    " and resid   14 and name   HN) 2.979 1.109 1.109 weight 1.000 ! spec=NOESY, no=293, id=289, vol=2.000000e+07
assign (segid "    " and resid   13 and name  HA2) (segid "    " and resid   13 and name   HN) 2.497 0.780 0.780 weight 1.000 ! spec=NOESY, no=294, id=290, vol=5.760000e+07
assign (segid "    " and resid    9 and name   HB) (segid "    " and resid    9 and name   HN) 2.894 1.047 1.047 weight 1.000 ! spec=NOESY, no=295, id=291, vol=2.380000e+07
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   12 and name   HN) 3.169 1.255 1.255 weight 1.000 ! spec=NOESY, no=296, id=292, vol=1.380000e+07
assign (segid "    " and resid    3 and name   HB) (segid "    " and resid    6 and name   HN) 2.383 0.710 0.710 weight 1.000 ! spec=NOESY, no=298, id=294, vol=7.620000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name   HN) 2.525 0.797 0.797 weight 1.000 ! spec=NOESY, no=299, id=295, vol=5.390000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name   HN) 2.447 0.748 0.748 weight 1.000 ! spec=NOESY, no=300, id=296, vol=6.510000e+07
assign (segid "    " and resid    3 and name   HB) (segid "    " and resid    3 and name   HN) 2.943 1.083 1.083 weight 1.000 ! spec=NOESY, no=301, id=297, vol=2.150000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name   HN) 3.430 1.471 1.471 weight 1.000 ! spec=NOESY, no=304, id=300, vol=8.580000e+06
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HN) 2.427 0.736 0.736 weight 1.000 ! spec=NOESY, no=305, id=301, vol=6.840000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HD1) 3.286 1.350 1.350 weight 1.000 ! spec=NOESY, no=306, id=302, vol=1.110000e+07
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   23 and name  HD1) 4.036 2.037 2.037 weight 1.000 ! spec=NOESY, no=307, id=303, vol=3.230000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    8 and name  HB1) 3.176 1.261 1.261 weight 1.000 ! spec=NOESY, no=308, id=304, vol=1.360000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    3 and name  HA2) 3.333 1.388 1.388 weight 1.000 ! spec=NOESY, no=309, id=305, vol=1.020000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    3 and name  HA1)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB1) 2.579 0.831 0.831 weight 1.000 ! spec=NOESY, no=311, id=307, vol=4.750000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.740 0.939 0.939 weight 1.000 ! spec=NOESY, no=312, id=308, vol=3.300000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   23 and name  HE1) 3.396 1.441 1.441 weight 1.000 ! spec=NOESY, no=313, id=309, vol=9.110000e+06
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name   HN) 2.783 0.968 0.968 weight 1.000 ! spec=NOESY, no=314, id=310, vol=3.010000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD12) 3.301 1.362 1.362 weight 1.000 ! spec=NOESY, no=315, id=311, vol=1.080000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD11)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name HD13)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HE1) 3.932 1.933 1.933 weight 1.000 ! spec=NOESY, no=316, id=312, vol=3.780000e+06
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HD1) 3.226 1.301 1.301 weight 1.000 ! spec=NOESY, no=318, id=314, vol=1.240000e+07
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG2) 2.655 0.881 0.881 weight 1.000 ! spec=NOESY, no=319, id=315, vol=3.990000e+07
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG1)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB2) 2.361 0.697 0.697 weight 1.000 ! spec=NOESY, no=320, id=316, vol=8.070000e+07
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB1)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HN) 2.180 0.594 0.594 weight 1.000 ! spec=NOESY, no=321, id=317, vol=1.300000e+08
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.705 0.914 0.914 weight 1.000 ! spec=NOESY, no=322, id=318, vol=3.570000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HB2) 3.509 1.539 1.539 weight 1.000 ! spec=NOESY, no=323, id=319, vol=7.480000e+06
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HB1)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN) 3.070 1.178 1.178 weight 1.000 ! spec=NOESY, no=326, id=322, vol=1.670000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HD2) 3.243 1.315 1.315 weight 1.000 ! spec=NOESY, no=327, id=323, vol=1.200000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB2) 2.328 0.678 0.678 weight 1.000 ! spec=NOESY, no=328, id=324, vol=8.770000e+07
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB1)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   23 and name  HE1) 3.882 1.884 1.884 weight 1.000 ! spec=NOESY, no=330, id=326, vol=4.080000e+06
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HD1) 3.370 1.420 1.420 weight 1.000 ! spec=NOESY, no=331, id=327, vol=9.540000e+06
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name   HN) 2.560 0.819 0.819 weight 1.000 ! spec=NOESY, no=332, id=328, vol=4.960000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name   HN) 3.230 1.304 1.304 weight 1.000 ! spec=NOESY, no=333, id=329, vol=1.230000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    5 and name   HN) 3.996 1.996 1.996 weight 1.000 ! spec=NOESY, no=334, id=330, vol=3.430000e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB2) 2.570 0.826 0.826 weight 1.000 ! spec=NOESY, no=335, id=331, vol=4.850000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB1) 2.663 0.886 0.886 weight 1.000 ! spec=NOESY, no=337, id=333, vol=3.920000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   18 and name   HN) 2.111 0.557 0.557 weight 1.000 ! spec=NOESY, no=338, id=334, vol=1.580000e+08
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HG2) 3.200 1.280 1.280 weight 1.000 ! spec=NOESY, no=339, id=335, vol=1.300000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HG1) 2.948 1.086 1.086 weight 1.000 ! spec=NOESY, no=340, id=336, vol=2.130000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   18 and name  HB2) 3.628 1.645 1.645 weight 1.000 ! spec=NOESY, no=341, id=337, vol=6.130000e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name   HN) 2.776 0.964 0.964 weight 1.000 ! spec=NOESY, no=342, id=338, vol=3.050000e+07
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   16 and name HG22) 3.548 1.574 1.574 weight 1.000 ! spec=NOESY, no=343, id=339, vol=7.000000e+06
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   16 and name HG21)
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   16 and name HG23)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   14 and name   HN) 3.981 1.981 1.981 weight 1.000 ! spec=NOESY, no=344, id=340, vol=3.510000e+06
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   13 and name   HN) 3.922 1.923 1.923 weight 1.000 ! spec=NOESY, no=345, id=341, vol=3.840000e+06
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD1) 2.404 0.722 0.722 weight 1.000 ! spec=NOESY, no=346, id=342, vol=7.240000e+07
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name   HN) 2.622 0.859 0.859 weight 1.000 ! spec=NOESY, no=347, id=343, vol=4.300000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 2.469 0.762 0.762 weight 1.000 ! spec=NOESY, no=348, id=344, vol=6.170000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name   HN) 2.665 0.888 0.888 weight 1.000 ! spec=NOESY, no=349, id=345, vol=3.900000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   14 and name  HB2) 3.895 1.897 1.897 weight 1.000 ! spec=NOESY, no=350, id=346, vol=4.000000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   22 and name   HN) 3.188 1.271 1.271 weight 1.000 ! spec=NOESY, no=353, id=349, vol=1.330000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name  HG2) 3.034 1.151 1.151 weight 1.000 ! spec=NOESY, no=354, id=350, vol=1.790000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HG1) 2.999 1.124 1.124 weight 1.000 ! spec=NOESY, no=355, id=351, vol=1.920000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name  HD1) 2.256 0.636 0.636 weight 1.000 ! spec=NOESY, no=356, id=352, vol=1.060000e+08
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name  HD2) 2.198 0.604 0.604 weight 1.000 ! spec=NOESY, no=357, id=353, vol=1.240000e+08
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB2) 2.324 0.675 0.675 weight 1.000 ! spec=NOESY, no=358, id=354, vol=8.860000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HD2) 3.239 1.311 1.311 weight 1.000 ! spec=NOESY, no=359, id=355, vol=1.210000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HG2) 3.347 1.400 1.400 weight 1.000 ! spec=NOESY, no=360, id=356, vol=9.940000e+06
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB1) 2.553 0.815 0.815 weight 1.000 ! spec=NOESY, no=361, id=357, vol=5.040000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HD1) 3.721 1.731 1.731 weight 1.000 ! spec=NOESY, no=362, id=358, vol=5.260000e+06
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   14 and name   HN) 4.002 2.002 2.002 weight 1.000 ! spec=NOESY, no=363, id=359, vol=3.400000e+06
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   15 and name   HN) 2.945 1.084 1.084 weight 1.000 ! spec=NOESY, no=364, id=360, vol=2.140000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   14 and name  HB1) 2.775 0.963 0.963 weight 1.000 ! spec=NOESY, no=365, id=361, vol=3.060000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB1) 2.798 0.979 0.979 weight 1.000 ! spec=NOESY, no=366, id=362, vol=2.910000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name  HN1) 3.079 1.185 1.185 weight 1.000 ! spec=NOESY, no=367, id=363, vol=1.640000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name  HN2) 2.712 0.919 0.919 weight 1.000 ! spec=NOESY, no=368, id=364, vol=3.510000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HB2) 2.465 0.759 0.759 weight 1.000 ! spec=NOESY, no=369, id=365, vol=6.230000e+07
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   14 and name  HB2) 3.417 1.459 1.459 weight 1.000 ! spec=NOESY, no=370, id=366, vol=8.780000e+06
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   16 and name HG22) 3.281 1.346 1.346 weight 1.000 ! spec=NOESY, no=372, id=368, vol=1.120000e+07
    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   25 and name   HA) (segid "    " and resid   25 and name HG12) 2.537 0.805 0.805 weight 1.000 ! spec=NOESY, no=374, id=369, vol=5.240000e+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   25 and name   HA) (segid "    " and resid   26 and name   HN) 2.050 0.526 0.526 weight 1.000 ! spec=NOESY, no=375, id=370, vol=1.880000e+08
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   17 and name   HN) 2.914 1.062 1.062 weight 1.000 ! spec=NOESY, no=376, id=371, vol=2.280000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name HG22) 2.344 0.687 0.687 weight 1.000 ! spec=NOESY, no=378, id=373, vol=8.420000e+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   25 and name   HA) (segid "    " and resid   15 and name   HN) 3.226 1.301 1.301 weight 1.000 ! spec=NOESY, no=379, id=374, vol=1.240000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name  HB1) 4.129 2.131 2.131 weight 1.000 ! spec=NOESY, no=381, id=376, vol=2.820000e+06
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB1) 2.428 0.737 0.737 weight 1.000 ! spec=NOESY, no=382, id=377, vol=6.820000e+07
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 2.104 0.553 0.553 weight 1.000 ! spec=NOESY, no=383, id=378, vol=1.610000e+08
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   16 and name HG22) 3.353 1.405 1.405 weight 1.000 ! spec=NOESY, no=386, id=381, vol=9.830000e+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   18 and name   HA) (segid "    " and resid   24 and name   HN) 2.806 0.984 0.984 weight 1.000 ! spec=NOESY, no=387, id=382, vol=2.860000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB1) 2.642 0.872 0.872 weight 1.000 ! spec=NOESY, no=388, id=383, vol=4.110000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   23 and name  HB2) 2.792 0.974 0.974 weight 1.000 ! spec=NOESY, no=389, id=384, vol=2.950000e+07
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   23 and name  HB1)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name   HN) 2.934 1.076 1.076 weight 1.000 ! spec=NOESY, no=390, id=385, vol=2.190000e+07
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   23 and name  HE1) 3.795 1.800 1.800 weight 1.000 ! spec=NOESY, no=391, id=386, vol=4.680000e+06
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   23 and name  HD1) 3.143 1.235 1.235 weight 1.000 ! spec=NOESY, no=392, id=387, vol=1.450000e+07
    or (segid "    " and resid   18 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name  HB1) 3.681 1.693 1.693 weight 1.000 ! spec=NOESY, no=393, id=388, vol=5.620000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB2) 2.339 0.684 0.684 weight 1.000 ! spec=NOESY, no=394, id=389, vol=8.530000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB1)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG1) 3.165 1.252 1.252 weight 1.000 ! spec=NOESY, no=396, id=391, vol=1.390000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HG2) 2.665 0.888 0.888 weight 1.000 ! spec=NOESY, no=398, id=393, vol=3.900000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HN) 2.052 0.526 0.526 weight 1.000 ! spec=NOESY, no=399, id=394, vol=1.870000e+08
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HB) 2.624 0.861 0.861 weight 1.000 ! spec=NOESY, no=400, id=395, vol=4.280000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   26 and name   HN) 2.826 0.999 0.999 weight 1.000 ! spec=NOESY, no=402, id=397, vol=2.740000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HG22) 2.386 0.711 0.711 weight 1.000 ! spec=NOESY, no=403, id=398, vol=7.580000e+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   16 and name   HA) (segid "    " and resid   25 and name HG12) 2.994 1.120 1.120 weight 1.000 ! spec=NOESY, no=404, id=399, vol=1.940000e+07
    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   23 and name   HA) (segid "    " and resid   24 and name   HN) 2.183 0.596 0.596 weight 1.000 ! spec=NOESY, no=405, id=400, vol=1.290000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HE1) 3.430 1.471 1.471 weight 1.000 ! spec=NOESY, no=406, id=401, vol=8.580000e+06
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HE2)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HD1) 2.779 0.966 0.966 weight 1.000 ! spec=NOESY, no=407, id=402, vol=3.030000e+07
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB2) 2.169 0.588 0.588 weight 1.000 ! spec=NOESY, no=409, id=404, vol=1.340000e+08
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB1)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 2.914 1.062 1.062 weight 1.000 ! spec=NOESY, no=410, id=405, vol=2.280000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 2.737 0.937 0.937 weight 1.000 ! spec=NOESY, no=411, id=406, vol=3.320000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB2) 2.888 1.042 1.042 weight 1.000 ! spec=NOESY, no=413, id=408, vol=2.410000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 2.762 0.953 0.953 weight 1.000 ! spec=NOESY, no=414, id=409, vol=3.150000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 2.278 0.649 0.649 weight 1.000 ! spec=NOESY, no=415, id=410, vol=1.000000e+08
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB1) 2.641 0.872 0.872 weight 1.000 ! spec=NOESY, no=417, id=412, vol=4.120000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name  HD2) 2.186 0.597 0.597 weight 1.000 ! spec=NOESY, no=418, id=413, vol=1.280000e+08
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name  HD1) 2.436 0.742 0.742 weight 1.000 ! spec=NOESY, no=419, id=414, vol=6.690000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB1) 2.582 0.834 0.834 weight 1.000 ! spec=NOESY, no=420, id=415, vol=4.710000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HG2) 2.632 0.866 0.866 weight 1.000 ! spec=NOESY, no=422, id=417, vol=4.200000e+07
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB2) 2.534 0.802 0.802 weight 1.000 ! spec=NOESY, no=423, id=418, vol=5.280000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.633 0.867 0.867 weight 1.000 ! spec=NOESY, no=424, id=419, vol=4.190000e+07
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name  HM1) 1.981 0.491 0.491 weight 1.000 ! spec=NOESY, no=425, id=420, vol=2.310000e+08
    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   24 and name   HA) (segid "    " and resid   25 and name HG12) 3.525 1.553 1.553 weight 1.000 ! spec=NOESY, no=427, id=422, vol=7.280000e+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   11 and name  HE1) (segid "    " and resid   11 and name  HD1) 2.036 0.518 0.518 weight 1.000 ! spec=NOESY, no=428, id=423, vol=1.960000e+08
    or (segid "    " and resid   11 and name  HE1) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   23 and name  HD1) 1.854 0.430 0.430 weight 1.000 ! spec=NOESY, no=429, id=424, vol=3.440000e+08
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   23 and name  HD2)
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid   23 and name  HD1)
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid   23 and name  HD2)
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid    4 and name   HN) 3.944 1.945 1.945 weight 1.000 ! spec=NOESY, no=431, id=426, vol=3.710000e+06
    or (segid "    " and resid   23 and name  HE2) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   24 and name   HN) 3.311 1.371 1.371 weight 1.000 ! spec=NOESY, no=433, id=428, vol=1.060000e+07
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name   HN) 2.872 1.031 1.031 weight 1.000 ! spec=NOESY, no=434, id=429, vol=2.490000e+07
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   19 and name   HN) 3.761 1.768 1.768 weight 1.000 ! spec=NOESY, no=435, id=430, vol=4.940000e+06
    or (segid "    " and resid   23 and name  HD2) (segid "    " and resid   19 and name   HN)
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid    8 and name   HN) 3.831 1.834 1.834 weight 1.000 ! spec=NOESY, no=436, id=431, vol=4.420000e+06
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    1 and name HD21) (segid "    " and resid    1 and name HD22) 1.837 0.422 0.422 weight 1.000 ! spec=NOESY, no=437, id=432, vol=3.640000e+08
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   12 and name   HN) 3.977 1.977 1.977 weight 1.000 ! spec=NOESY, no=438, id=433, vol=3.530000e+06
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   12 and name   HN)
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   10 and name   HN) 4.387 2.406 2.406 weight 1.000 ! spec=NOESY, no=439, id=434, vol=1.960000e+06
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name   HN) 2.971 1.104 1.104 weight 1.000 ! spec=NOESY, no=440, id=435, vol=2.030000e+07
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   28 and name  HN1) (segid "    " and resid   28 and name  HN2) 1.758 0.386 0.386 weight 1.000 ! spec=NOESY, no=441, id=436, vol=4.730000e+08
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   26 and name   HN) 4.300 2.311 2.311 weight 1.000 ! spec=NOESY, no=442, id=437, vol=2.210000e+06
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   26 and name  HE1) 3.652 1.667 1.667 weight 1.000 ! spec=NOESY, no=443, id=438, vol=5.890000e+06
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name   HN) 3.154 1.243 1.243 weight 1.000 ! spec=NOESY, no=444, id=439, vol=1.420000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HN) 3.966 1.966 1.966 weight 1.000 ! spec=NOESY, no=445, id=440, vol=3.590000e+06
assign (segid "    " and resid   28 and name  HN2) (segid "    " and resid   27 and name   HN) 4.086 2.087 2.087 weight 1.000 ! spec=NOESY, no=446, id=441, vol=3.000000e+06
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HN) 2.934 1.076 1.076 weight 1.000 ! spec=NOESY, no=447, id=442, vol=2.190000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   10 and name   HN) 3.623 1.641 1.641 weight 1.000 ! spec=NOESY, no=448, id=443, vol=6.180000e+06
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HN) 2.994 1.120 1.120 weight 1.000 ! spec=NOESY, no=449, id=444, vol=1.940000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HN) 2.882 1.038 1.038 weight 1.000 ! spec=NOESY, no=452, id=447, vol=2.440000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   13 and name   HN) 3.257 1.326 1.326 weight 1.000 ! spec=NOESY, no=453, id=448, vol=1.170000e+07
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    4 and name   HN) 3.611 1.630 1.630 weight 1.000 ! spec=NOESY, no=454, id=449, vol=6.300000e+06
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HN) 3.221 1.297 1.297 weight 1.000 ! spec=NOESY, no=455, id=450, vol=1.250000e+07
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HG) 3.356 1.408 1.408 weight 1.000 ! spec=NOESY, no=456, id=451, vol=9.780000e+06
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HN) 2.896 1.048 1.048 weight 1.000 ! spec=NOESY, no=458, id=453, vol=2.370000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HB) 3.338 1.393 1.393 weight 1.000 ! spec=NOESY, no=460, id=455, vol=1.010000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HA) 2.664 0.887 0.887 weight 1.000 ! spec=NOESY, no=461, id=456, vol=3.910000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name   HN) 2.713 0.920 0.920 weight 1.000 ! spec=NOESY, no=462, id=457, vol=3.500000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HN) 2.693 0.907 0.907 weight 1.000 ! spec=NOESY, no=463, id=458, vol=3.660000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name   HN) 4.188 2.192 2.192 weight 1.000 ! spec=NOESY, no=464, id=459, vol=2.590000e+06
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    7 and name   HA) 3.694 1.706 1.706 weight 1.000 ! spec=NOESY, no=467, id=462, vol=5.500000e+06
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HA) 2.487 0.773 0.773 weight 1.000 ! spec=NOESY, no=468, id=463, vol=5.910000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    9 and name   HB) 3.463 1.499 1.499 weight 1.000 ! spec=NOESY, no=469, id=464, vol=8.100000e+06
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name   HB) 3.648 1.663 1.663 weight 1.000 ! spec=NOESY, no=470, id=465, vol=5.930000e+06
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   24 and name   HN) 3.675 1.688 1.688 weight 1.000 ! spec=NOESY, no=471, id=466, vol=5.670000e+06
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   24 and name   HN) 2.927 1.071 1.071 weight 1.000 ! spec=NOESY, no=472, id=467, vol=2.220000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   18 and name   HN) 3.322 1.379 1.379 weight 1.000 ! spec=NOESY, no=473, id=468, vol=1.040000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   26 and name   HN) 3.662 1.677 1.677 weight 1.000 ! spec=NOESY, no=474, id=469, vol=5.790000e+06
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   11 and name   HN) 3.409 1.453 1.453 weight 1.000 ! spec=NOESY, no=475, id=470, vol=8.900000e+06
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   23 and name   HA) 3.531 1.558 1.558 weight 1.000 ! spec=NOESY, no=476, id=471, vol=7.210000e+06
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   24 and name   HN) 3.686 1.698 1.698 weight 1.000 ! spec=NOESY, no=477, id=472, vol=5.570000e+06
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HA) 3.122 1.218 1.218 weight 1.000 ! spec=NOESY, no=478, id=473, vol=1.510000e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   27 and name   HN) 3.509 1.539 1.539 weight 1.000 ! spec=NOESY, no=480, id=475, vol=7.490000e+06
# Restraints file 3: wsh2001_dihedrals.tbl
! Phi angle constraints

!b3K3
 assign (resid  2  and name C ) (resid  3  and name N ) 
        (resid  3  and name CB) (resid  3  and name CA)   1.0  -120.0 40.0 2

!C4
 assign (resid  3  and name C ) (resid  4  and name N ) 
        (resid  4  and name CA) (resid  4  and name C )   1.0  -65.0 25.0 2

!b3E6
 assign (resid  5  and name C ) (resid  6  and name N ) 
        (resid  6  and name CB) (resid  6  and name CA)   1.0  -120.0 40.0 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

!R10
 assign (resid  9  and name C ) (resid 10  and name N ) 
        (resid 10  and name CA) (resid 10  and name C )   1.0  -65.0 25.0 2

!Y11
 assign (resid 10  and name C ) (resid 11  and name N ) 
        (resid 11  and name CA) (resid 11  and name C )   1.0  -120.0 40.0 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

!R17
 assign (resid 16  and name C ) (resid 17  and name N ) 
        (resid 17  and name CA) (resid 17  and name C )   1.0  -120.0 40.0 2

!C18
 assign (resid 17  and name C ) (resid 18  and name N ) 
        (resid 18  and name CA) (resid 18  and name C )   1.0  -120.0 40.0 2

!D19
 assign (resid 18  and name C ) (resid 19  and name N ) 
        (resid 19  and name CA) (resid 19  and name C )   1.0  -120.0 40.0 2

!Y23
 assign (resid 22  and name C ) (resid 23  and name N ) 
        (resid 23  and name CA) (resid 23  and name C )   1.0  -120.0 40.0 2

!E24
 assign (resid 23  and name C ) (resid 24  and name N ) 
        (resid 24  and name CA) (resid 24  and name C )   1.0  -120.0 40.0 2

!H26
 assign (resid 25  and name C ) (resid 26  and name N ) 
        (resid 26  and name CA) (resid 26  and name C )   1.0  -120.0 40.0 2

!C27
 assign (resid 26  and name C ) (resid 27  and name N ) 
        (resid 27  and name CA) (resid 27  and name C )   1.0  -120.0 40.0 2

# Restraints file 4: wsh2001_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 
!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  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN   1           HT1      ASN   1  13.477  -2.894  -1.268
    2    H2   ASN   1           HT2      ASN   1  13.654  -4.527  -0.883
    3    H3   ASN   1           HT3      ASN   1  14.331  -3.346   0.118
    4    HA   ASN   1           HA       ASN   1  12.331  -4.246   1.097
    5    HB2  ASN   1           HB2      ASN   1  12.982  -1.813   1.359
    6    HB3  ASN   1           HB1      ASN   1  11.834  -1.440   0.080
    7   HD21  ASN   1          HD21      ASN   1  11.842  -0.538   2.819
    8   HD22  ASN   1          HD22      ASN   1  10.345  -1.060   3.515
    9    H    ASP   2           HN       ASP   2  10.592  -5.403   0.595
   10    HA   ASP   2           HA       ASP   2   9.327  -4.954  -2.019
   11    HB2  ASP   2           HB2      ASP   2   8.591  -7.241  -1.936
   12    HB3  ASP   2           HB1      ASP   2  10.305  -7.205  -1.546
   13    H    B3K   3           HN       B3K   3   8.839  -3.965   1.003
   14    HA   B3K   3           HA       B3K   3   5.937  -4.411   0.888
   15    HG2  B3K   3           HG1      B3K   3   5.975  -3.647   3.294
   16    HG3  B3K   3           HG2      B3K   3   7.711  -3.411   3.183
   17    HD2  B3K   3           HD1      B3K   3   7.197  -5.478   4.334
   18    HD3  B3K   3           HD2      B3K   3   8.018  -5.807   2.808
   19    HE2  B3K   3           HE1      B3K   3   5.899  -6.343   1.751
   20    HE3  B3K   3           HE2      B3K   3   5.038  -5.954   3.240
   21    HF1  B3K   3           HF1      B3K   3   5.314  -8.366   2.968
   22    HF2  B3K   3           HF2      B3K   3   6.164  -7.772   4.393
   23   HNZ1  B3K   3           HZ1      B3K   3   7.467  -8.282   1.771
   24   HNZ2  B3K   3           HZ2      B3K   3   7.452  -9.377   3.061
   25    HB1  B3K   3           HB1      B3K   3   6.342  -1.832   1.986
   26    HB2  B3K   3           HB2      B3K   3   7.361  -1.905   0.549
   27    H    CYS   4           HN       CYS   4   6.429  -1.155  -1.162
   28    HA   CYS   4           HA       CYS   4   3.658  -0.756  -1.451
   29    HB2  CYS   4           HB2      CYS   4   5.794  -0.881  -3.595
   30    HB3  CYS   4           HB1      CYS   4   4.176  -0.225  -3.797
   31    H    LYS   5           HN       LYS   5   5.871  -3.141  -2.886
   32    HA   LYS   5           HA       LYS   5   4.143  -4.429  -4.593
   33    HB2  LYS   5           HB2      LYS   5   6.385  -5.627  -2.964
   34    HB3  LYS   5           HB1      LYS   5   5.604  -6.421  -4.323
   35    HG2  LYS   5           HG2      LYS   5   6.392  -4.729  -5.833
   36    HG3  LYS   5           HG1      LYS   5   7.051  -3.791  -4.493
   37    HD2  LYS   5           HD2      LYS   5   8.800  -5.042  -5.668
   38    HD3  LYS   5           HD1      LYS   5   8.628  -5.580  -3.997
   39    HE2  LYS   5           HE2      LYS   5   7.314  -7.493  -4.738
   40    HE3  LYS   5           HE1      LYS   5   7.438  -6.946  -6.407
   41    HZ1  LYS   5           HZ1      LYS   5   9.030  -8.686  -5.935
   42    HZ2  LYS   5           HZ2      LYS   5   9.706  -7.776  -4.682
   43    HZ3  LYS   5           HZ3      LYS   5   9.833  -7.240  -6.280
   44    H    B3E   6           HN       B3E   6   5.040  -5.870  -1.445
   45    HA   B3E   6           HA       B3E   6   2.228  -6.726  -1.263
   46    HG2  B3E   6           HG1      B3E   6   3.114  -8.816  -0.127
   47    HG3  B3E   6           HG2      B3E   6   4.753  -8.267  -0.447
   48    HD2  B3E   6           HD1      B3E   6   4.246  -8.324  -2.870
   49    HD3  B3E   6           HD2      B3E   6   2.667  -9.004  -2.486
   50    HB1  B3E   6           HB1      B3E   6   3.434  -7.079   1.268
   51    HB2  B3E   6           HB2      B3E   6   4.009  -5.518   0.689
   52    H    LEU   7           HN       LEU   7   2.691  -3.826   0.609
   53    HA   LEU   7           HA       LEU   7   0.200  -4.054   2.032
   54    HB2  LEU   7           HB2      LEU   7   1.553  -1.663   0.784
   55    HB3  LEU   7           HB1      LEU   7   0.124  -1.594   1.796
   56    HG   LEU   7           HG       LEU   7   2.802  -2.635   2.726
   57   HD11  LEU   7          HD11      LEU   7   1.514   0.053   3.163
   58   HD12  LEU   7          HD12      LEU   7   2.956  -0.272   2.200
   59   HD13  LEU   7          HD13      LEU   7   2.985  -0.523   3.945
   60   HD21  LEU   7          HD21      LEU   7   0.925  -3.550   3.969
   61   HD22  LEU   7          HD22      LEU   7   0.282  -1.928   4.221
   62   HD23  LEU   7          HD23      LEU   7   1.815  -2.392   4.957
   63    H    LYS   8           HN       LYS   8   1.186  -3.062  -1.269
   64    HA   LYS   8           HA       LYS   8  -1.444  -2.594  -2.186
   65    HB2  LYS   8           HB2      LYS   8   0.743  -1.908  -3.320
   66    HB3  LYS   8           HB1      LYS   8   0.826  -3.556  -3.927
   67    HG2  LYS   8           HG2      LYS   8  -1.336  -3.235  -5.037
   68    HG3  LYS   8           HG1      LYS   8  -1.368  -1.568  -4.466
   69    HD2  LYS   8           HD2      LYS   8   0.771  -1.180  -5.678
   70    HD3  LYS   8           HD1      LYS   8   0.644  -2.811  -6.337
   71    HE2  LYS   8           HE2      LYS   8  -1.370  -0.599  -6.721
   72    HE3  LYS   8           HE1      LYS   8  -0.175  -1.112  -7.908
   73    HZ1  LYS   8           HZ1      LYS   8  -2.367  -2.072  -8.316
   74    HZ2  LYS   8           HZ2      LYS   8  -2.327  -2.836  -6.811
   75    HZ3  LYS   8           HZ3      LYS   8  -1.214  -3.270  -8.008
   76    H    B3K   9           HN       B3K   9   0.661  -5.420  -2.278
   77    HA   B3K   9           HA       B3K   9  -1.749  -7.063  -2.725
   78    HG2  B3K   9           HG1      B3K   9  -0.215  -8.740  -3.789
   79    HG3  B3K   9           HG2      B3K   9   1.153  -7.677  -3.504
   80    HD2  B3K   9           HD1      B3K   9   0.206  -6.032  -5.040
   81    HD3  B3K   9           HD2      B3K   9  -1.171  -7.098  -5.326
   82    HE2  B3K   9           HE1      B3K   9   0.451  -7.311  -7.125
   83    HE3  B3K   9           HE2      B3K   9   0.350  -8.814  -6.207
   84    HF1  B3K   9           HF1      B3K   9   2.373  -8.193  -4.971
   85    HF2  B3K   9           HF2      B3K   9   2.480  -6.700  -5.900
   86   HNZ1  B3K   9           HZ1      B3K   9   3.951  -8.368  -6.801
   87   HNZ2  B3K   9           HZ2      B3K   9   2.723  -8.035  -7.914
   88    HB1  B3K   9           HB1      B3K   9   0.331  -8.613  -1.542
   89    HB2  B3K   9           HB2      B3K   9   0.246  -7.103  -0.644
   90    H    ARG  10           HN       ARG  10  -0.919  -7.230   1.070
   91    HA   ARG  10           HA       ARG  10  -2.819  -9.394   1.384
   92    HB2  ARG  10           HB2      ARG  10  -1.853  -7.267   3.296
   93    HB3  ARG  10           HB1      ARG  10  -2.968  -8.553   3.729
   94    HG2  ARG  10           HG2      ARG  10  -1.254 -10.217   3.180
   95    HG3  ARG  10           HG1      ARG  10  -0.133  -8.912   2.783
   96    HD2  ARG  10           HD2      ARG  10  -1.439  -9.315   5.468
   97    HD3  ARG  10           HD1      ARG  10   0.198  -9.822   5.059
   98    HE   ARG  10           HE       ARG  10   0.762  -7.470   4.780
   99   HH11  ARG  10          HH11      ARG  10  -2.274  -6.655   7.296
  100   HH12  ARG  10          HH12      ARG  10  -2.282  -8.137   6.395
  101   HH21  ARG  10          HH21      ARG  10  -0.546  -5.162   7.045
  102   HH22  ARG  10          HH22      ARG  10   0.769  -5.516   5.967
  103    H    TYR  11           HN       TYR  11  -2.956  -6.031   0.674
  104    HA   TYR  11           HA       TYR  11  -5.733  -5.859   1.573
  105    HB2  TYR  11           HB2      TYR  11  -3.836  -3.710   0.612
  106    HB3  TYR  11           HB1      TYR  11  -5.484  -3.428   1.163
  107    HD1  TYR  11           HD1      TYR  11  -5.995  -4.462   3.567
  108    HD2  TYR  11           HD2      TYR  11  -2.134  -3.404   2.144
  109    HE1  TYR  11           HE1      TYR  11  -5.203  -4.273   5.885
  110    HE2  TYR  11           HE2      TYR  11  -1.327  -3.216   4.458
  111    HH   TYR  11           HH       TYR  11  -3.068  -4.400   7.116
  112    H    AIB  12           HN       AIB  12  -4.966  -7.428  -0.696
  113   HB11  AIB  12          HB11      AIB  12  -4.521  -8.546  -2.814
  114   HB12  AIB  12          HB12      AIB  12  -5.853  -8.508  -3.969
  115   HB13  AIB  12          HB13      AIB  12  -6.140  -9.029  -2.309
  116   HB21  AIB  12          HB21      AIB  12  -5.332  -4.995  -3.261
  117   HB22  AIB  12          HB22      AIB  12  -5.463  -6.229  -4.514
  118   HB23  AIB  12          HB23      AIB  12  -4.073  -6.218  -3.427
  119    H    GLY  13           HN       GLY  13  -7.697  -7.391  -0.817
  120    HA2  GLY  13           HA2      GLY  13  -9.919  -6.979  -2.648
  121    HA3  GLY  13           HA1      GLY  13 -10.020  -7.590  -1.006
  122    H    CYS  14           HN       CYS  14  -8.096  -4.852  -1.144
  123    HA   CYS  14           HA       CYS  14 -10.355  -3.089  -0.487
  124    HB2  CYS  14           HB2      CYS  14  -7.740  -3.354   1.010
  125    HB3  CYS  14           HB1      CYS  14  -8.955  -2.119   1.322
  126    H    GLU  15           HN       GLU  15  -9.195  -0.736  -0.129
  127    HA   GLU  15           HA       GLU  15  -7.948  -0.185  -2.701
  128    HB2  GLU  15           HB2      GLU  15  -9.016   1.596  -0.514
  129    HB3  GLU  15           HB1      GLU  15  -8.188   2.217  -1.934
  130    HG2  GLU  15           HG2      GLU  15 -10.719   0.596  -1.938
  131    HG3  GLU  15           HG1      GLU  15 -10.600   2.336  -2.182
  132    HN1  MVA  16           HM1      MEV  16  -5.070   1.000  -3.969
  133    HN2  MVA  16           HM2      MEV  16  -6.750   1.333  -3.553
  134    HN3  MVA  16           HM3      MEV  16  -6.221  -0.326  -3.832
  135    HA   MVA  16           HA       MEV  16  -4.156   1.336  -0.741
  136    HB   MVA  16           HB       MEV  16  -4.246  -0.969  -0.106
  137   HG11  MVA  16          HG11      MEV  16  -4.912  -1.989  -2.195
  138   HG12  MVA  16          HG12      MEV  16  -3.459  -2.773  -1.575
  139   HG13  MVA  16          HG13      MEV  16  -3.340  -1.620  -2.904
  140   HG21  MVA  16          HG21      MEV  16  -2.117   0.180   0.165
  141   HG22  MVA  16          HG22      MEV  16  -1.620  -0.333  -1.447
  142   HG23  MVA  16          HG23      MEV  16  -1.865  -1.533  -0.177
  143    H    ARG  17           HN       ARG  17  -2.904   2.759  -1.573
  144    HA   ARG  17           HA       ARG  17  -1.698   2.277  -4.214
  145    HB2  ARG  17           HB2      ARG  17  -2.706   4.919  -3.142
  146    HB3  ARG  17           HB1      ARG  17  -1.910   4.673  -4.688
  147    HG2  ARG  17           HG2      ARG  17  -3.764   3.333  -5.471
  148    HG3  ARG  17           HG1      ARG  17  -4.553   3.465  -3.898
  149    HD2  ARG  17           HD2      ARG  17  -3.902   5.767  -5.730
  150    HD3  ARG  17           HD1      ARG  17  -5.492   5.032  -5.551
  151    HE   ARG  17           HE       ARG  17  -5.311   5.762  -3.142
  152   HH11  ARG  17          HH11      ARG  17  -3.661   7.453  -5.727
  153   HH12  ARG  17          HH12      ARG  17  -3.643   8.970  -4.890
  154   HH21  ARG  17          HH21      ARG  17  -4.570   9.151  -2.791
  155   HH22  ARG  17          HH22      ARG  17  -5.296   7.764  -2.038
  156    H    CYS  18           HN       CYS  18   0.426   2.111  -3.973
  157    HA   CYS  18           HA       CYS  18   1.680   3.583  -1.763
  158    HB2  CYS  18           HB2      CYS  18   1.938   1.080  -1.852
  159    HB3  CYS  18           HB1      CYS  18   2.863   1.295  -3.336
  160    H    ASP  19           HN       ASP  19   3.193   5.099  -2.176
  161    HA   ASP  19           HA       ASP  19   4.301   5.291  -4.873
  162    HB2  ASP  19           HB2      ASP  19   2.262   6.787  -4.685
  163    HB3  ASP  19           HB1      ASP  19   3.142   7.699  -3.463
  164    HA   DPR  20           HA       DPR  20   8.142   6.438  -2.971
  165    HB2  DPR  20           HB1      DPR  20   8.304   3.556  -2.286
  166    HB3  DPR  20           HB2      DPR  20   9.470   4.585  -3.122
  167    HG2  DPR  20           HG1      DPR  20   8.000   2.821  -4.470
  168    HG3  DPR  20           HG2      DPR  20   8.354   4.420  -5.149
  169    HD2  DPR  20           HD1      DPR  20   5.836   3.400  -3.912
  170    HD3  DPR  20           HD2      DPR  20   6.057   4.503  -5.286
  171    HA   PRO  21           HA       PRO  21   7.961   6.181   1.474
  172    HB2  PRO  21           HB2      PRO  21   7.645   8.813   1.980
  173    HB3  PRO  21           HB1      PRO  21   9.183   8.130   1.438
  174    HG2  PRO  21           HG2      PRO  21   7.075   9.541  -0.155
  175    HG3  PRO  21           HG1      PRO  21   8.834   9.744  -0.208
  176    HD2  PRO  21           HD2      PRO  21   7.474   8.256  -2.021
  177    HD3  PRO  21           HD1      PRO  21   9.134   7.876  -1.521
  178    H    ARG  22           HN       ARG  22   5.377   7.160  -0.557
  179    HA   ARG  22           HA       ARG  22   3.605   7.661   1.712
  180    HB2  ARG  22           HB2      ARG  22   3.335   8.128  -1.239
  181    HB3  ARG  22           HB1      ARG  22   1.923   8.132  -0.192
  182    HG2  ARG  22           HG2      ARG  22   4.304   9.964  -0.055
  183    HG3  ARG  22           HG1      ARG  22   2.646  10.386  -0.487
  184    HD2  ARG  22           HD2      ARG  22   3.738   9.598   2.204
  185    HD3  ARG  22           HD1      ARG  22   2.935  11.098   1.750
  186    HE   ARG  22           HE       ARG  22   0.909   9.555   1.394
  187   HH11  ARG  22          HH11      ARG  22   2.309   8.225   4.924
  188   HH12  ARG  22          HH12      ARG  22   3.360   9.111   3.863
  189   HH21  ARG  22          HH21      ARG  22   0.141   7.814   4.315
  190   HH22  ARG  22          HH22      ARG  22  -0.470   8.368   2.781
  191    H    TYR  23           HN       TYR  23   2.136   6.304   2.411
  192    HA   TYR  23           HA       TYR  23   1.576   3.891   0.822
  193    HB2  TYR  23           HB2      TYR  23   1.838   4.069   3.831
  194    HB3  TYR  23           HB1      TYR  23   1.437   2.623   2.914
  195    HD1  TYR  23           HD1      TYR  23   4.053   4.521   4.364
  196    HD2  TYR  23           HD2      TYR  23   3.199   1.843   1.177
  197    HE1  TYR  23           HE1      TYR  23   6.441   3.968   4.196
  198    HE2  TYR  23           HE2      TYR  23   5.582   1.281   1.000
  199    HH   TYR  23           HH       TYR  23   7.837   2.060   3.374
  200    H    GLU  24           HN       GLU  24  -0.403   4.519   0.035
  201    HA   GLU  24           HA       GLU  24  -2.434   5.426   1.926
  202    HB2  GLU  24           HB2      GLU  24  -2.502   5.121  -1.080
  203    HB3  GLU  24           HB1      GLU  24  -3.852   5.688  -0.112
  204    HG2  GLU  24           HG2      GLU  24  -1.177   7.029  -0.412
  205    HG3  GLU  24           HG1      GLU  24  -2.699   7.544  -1.136
  206    HN1  MVA  25           HM1      MEV  25  -5.073   4.183   3.543
  207    HN2  MVA  25           HM2      MEV  25  -4.432   5.326   2.362
  208    HN3  MVA  25           HM3      MEV  25  -3.380   4.667   3.616
  209    HA   MVA  25           HA       MEV  25  -4.788   1.666   1.213
  210    HB   MVA  25           HB       MEV  25  -2.783   0.782   2.152
  211   HG11  MVA  25          HG11      MEV  25  -2.381   0.657   4.566
  212   HG12  MVA  25          HG12      MEV  25  -3.807   1.657   4.846
  213   HG13  MVA  25          HG13      MEV  25  -2.418   2.321   3.984
  214   HG21  MVA  25          HG21      MEV  25  -4.700  -0.706   2.059
  215   HG22  MVA  25          HG22      MEV  25  -5.189  -0.202   3.677
  216   HG23  MVA  25          HG23      MEV  25  -3.682  -1.090   3.448
  217    H    HIS  26           HN       HIS  26  -6.846   1.618   1.342
  218    HA   HIS  26           HA       HIS  26  -8.154   2.172   3.926
  219    HB2  HIS  26           HB2      HIS  26  -9.308   2.489   1.145
  220    HB3  HIS  26           HB1      HIS  26 -10.158   2.806   2.646
  221    HD1  HIS  26           HD1      HIS  26  -9.510   4.979   3.945
  222    HD2  HIS  26           HD2      HIS  26  -7.604   4.507   0.283
  223    HE1  HIS  26           HE1      HIS  26  -8.458   7.206   3.433
  224    HE2  HIS  26           HE2      HIS  26  -7.450   6.936   1.140
  225    H    CYS  27           HN       CYS  27  -8.528   0.261   4.826
  226    HA   CYS  27           HA       CYS  27  -9.901  -1.797   3.278
  227    HB2  CYS  27           HB2      CYS  27  -7.406  -2.192   3.203
  228    HB3  CYS  27           HB1      CYS  27  -7.466  -2.423   4.947
  229    HN1  NH2  28           HN1      NH2  28 -11.724  -1.502   4.497
  230    HN2  NH2  28           HN2      NH2  28 -11.818  -1.854   6.186
  Start of MODEL    2
    1    H1   ASN   1           HT1      ASN   1  12.445  -0.855  -3.215
    2    H2   ASN   1           HT2      ASN   1  11.313  -1.823  -4.016
    3    H3   ASN   1           HT3      ASN   1  12.679  -2.527  -3.315
    4    HA   ASN   1           HA       ASN   1  11.936  -1.944  -1.128
    5    HB2  ASN   1           HB2      ASN   1   9.755  -0.930  -0.766
    6    HB3  ASN   1           HB1      ASN   1  10.712   0.117  -1.800
    7   HD21  ASN   1          HD21      ASN   1  10.110   0.411  -3.938
    8   HD22  ASN   1          HD22      ASN   1   8.566  -0.092  -4.547
    9    H    ASP   2           HN       ASP   2  10.913  -3.560   0.008
   10    HA   ASP   2           HA       ASP   2   9.756  -5.714  -1.557
   11    HB2  ASP   2           HB2      ASP   2   9.787  -7.011   0.523
   12    HB3  ASP   2           HB1      ASP   2  11.358  -6.285   0.220
   13    H    B3K   3           HN       B3K   3   8.778  -3.449   0.969
   14    HA   B3K   3           HA       B3K   3   5.990  -4.150   0.349
   15    HG2  B3K   3           HG1      B3K   3   5.476  -3.280   2.682
   16    HG3  B3K   3           HG2      B3K   3   7.206  -3.180   2.966
   17    HD2  B3K   3           HD1      B3K   3   7.426  -5.571   2.708
   18    HD3  B3K   3           HD2      B3K   3   5.714  -5.710   2.310
   19    HE2  B3K   3           HE1      B3K   3   6.024  -6.336   4.609
   20    HE3  B3K   3           HE2      B3K   3   5.167  -4.797   4.551
   21    HF1  B3K   3           HF1      B3K   3   6.846  -4.703   6.273
   22    HF2  B3K   3           HF2      B3K   3   7.303  -3.627   4.955
   23   HNZ1  B3K   3           HZ1      B3K   3   8.800  -5.375   4.130
   24   HNZ2  B3K   3           HZ2      B3K   3   8.407  -6.334   5.472
   25    HB1  B3K   3           HB1      B3K   3   6.230  -1.513   1.483
   26    HB2  B3K   3           HB2      B3K   3   7.293  -1.661   0.087
   27    H    CYS   4           HN       CYS   4   6.454  -1.173  -1.756
   28    HA   CYS   4           HA       CYS   4   3.612  -0.745  -2.001
   29    HB2  CYS   4           HB2      CYS   4   5.271   0.863  -2.889
   30    HB3  CYS   4           HB1      CYS   4   5.839  -0.360  -4.015
   31    H    LYS   5           HN       LYS   5   5.971  -3.099  -3.024
   32    HA   LYS   5           HA       LYS   5   4.269  -4.367  -4.938
   33    HB2  LYS   5           HB2      LYS   5   6.765  -5.281  -3.513
   34    HB3  LYS   5           HB1      LYS   5   5.913  -6.281  -4.681
   35    HG2  LYS   5           HG2      LYS   5   7.020  -3.549  -5.278
   36    HG3  LYS   5           HG1      LYS   5   7.858  -5.065  -5.617
   37    HD2  LYS   5           HD2      LYS   5   5.974  -5.752  -7.053
   38    HD3  LYS   5           HD1      LYS   5   5.194  -4.201  -6.744
   39    HE2  LYS   5           HE2      LYS   5   7.920  -4.502  -7.986
   40    HE3  LYS   5           HE1      LYS   5   6.430  -4.337  -8.912
   41    HZ1  LYS   5           HZ1      LYS   5   7.465  -2.347  -6.964
   42    HZ2  LYS   5           HZ2      LYS   5   6.069  -2.187  -7.909
   43    HZ3  LYS   5           HZ3      LYS   5   7.586  -2.227  -8.647
   44    H    B3E   6           HN       B3E   6   5.532  -5.834  -1.942
   45    HA   B3E   6           HA       B3E   6   2.796  -6.798  -1.446
   46    HG2  B3E   6           HG1      B3E   6   3.849  -8.870  -0.486
   47    HG3  B3E   6           HG2      B3E   6   5.435  -8.265  -0.939
   48    HD2  B3E   6           HD1      B3E   6   4.749  -8.322  -3.304
   49    HD3  B3E   6           HD2      B3E   6   3.204  -9.012  -2.814
   50    HB1  B3E   6           HB1      B3E   6   4.420  -7.113   0.884
   51    HB2  B3E   6           HB2      B3E   6   4.675  -5.483   0.276
   52    H    LEU   7           HN       LEU   7   3.282  -3.975   0.808
   53    HA   LEU   7           HA       LEU   7   1.042  -4.672   2.465
   54    HB2  LEU   7           HB2      LEU   7   1.960  -1.986   1.437
   55    HB3  LEU   7           HB1      LEU   7   0.694  -2.231   2.623
   56    HG   LEU   7           HG       LEU   7   3.601  -2.946   2.995
   57   HD11  LEU   7          HD11      LEU   7   3.231  -0.547   2.985
   58   HD12  LEU   7          HD12      LEU   7   3.606  -1.115   4.612
   59   HD13  LEU   7          HD13      LEU   7   1.942  -0.728   4.173
   60   HD21  LEU   7          HD21      LEU   7   2.203  -4.472   4.232
   61   HD22  LEU   7          HD22      LEU   7   1.252  -3.134   4.872
   62   HD23  LEU   7          HD23      LEU   7   2.938  -3.323   5.347
   63    H    LYS   8           HN       LYS   8   1.439  -3.036  -0.688
   64    HA   LYS   8           HA       LYS   8  -1.237  -2.617  -1.262
   65    HB2  LYS   8           HB2      LYS   8   0.632  -1.751  -2.638
   66    HB3  LYS   8           HB1      LYS   8   0.929  -3.379  -3.231
   67    HG2  LYS   8           HG2      LYS   8  -1.317  -3.411  -4.220
   68    HG3  LYS   8           HG1      LYS   8  -1.569  -1.757  -3.662
   69    HD2  LYS   8           HD2      LYS   8   0.331  -1.017  -5.020
   70    HD3  LYS   8           HD1      LYS   8   0.565  -2.673  -5.584
   71    HE2  LYS   8           HE2      LYS   8  -1.666  -2.644  -6.588
   72    HE3  LYS   8           HE1      LYS   8  -1.901  -0.992  -6.020
   73    HZ1  LYS   8           HZ1      LYS   8  -1.234  -1.016  -8.325
   74    HZ2  LYS   8           HZ2      LYS   8   0.161  -1.893  -7.956
   75    HZ3  LYS   8           HZ3      LYS   8  -0.018  -0.310  -7.388
   76    H    B3K   9           HN       B3K   9   0.740  -5.332  -2.476
   77    HA   B3K   9           HA       B3K   9  -1.746  -6.905  -2.477
   78    HG2  B3K   9           HG1      B3K   9   0.906  -7.398  -3.962
   79    HG3  B3K   9           HG2      B3K   9  -0.500  -6.636  -4.688
   80    HD2  B3K   9           HD1      B3K   9  -1.777  -8.694  -4.411
   81    HD3  B3K   9           HD2      B3K   9  -0.380  -9.465  -3.661
   82    HE2  B3K   9           HE1      B3K   9  -0.477  -8.383  -6.473
   83    HE3  B3K   9           HE2      B3K   9  -0.609 -10.083  -6.025
   84    HF1  B3K   9           HF1      B3K   9   1.636  -9.994  -5.040
   85    HF2  B3K   9           HF2      B3K   9   1.769  -8.301  -5.509
   86   HNZ1  B3K   9           HZ1      B3K   9   1.577  -8.960  -7.823
   87   HNZ2  B3K   9           HZ2      B3K   9   1.457 -10.586  -7.374
   88    HB1  B3K   9           HB1      B3K   9   0.334  -8.737  -2.041
   89    HB2  B3K   9           HB2      B3K   9   0.774  -7.367  -1.031
   90    H    ARG  10           HN       ARG  10  -0.487  -6.781   0.672
   91    HA   ARG  10           HA       ARG  10  -2.076  -8.933   1.782
   92    HB2  ARG  10           HB2      ARG  10  -1.279  -6.261   2.957
   93    HB3  ARG  10           HB1      ARG  10  -2.084  -7.552   3.830
   94    HG2  ARG  10           HG2      ARG  10  -0.147  -8.984   3.560
   95    HG3  ARG  10           HG1      ARG  10   0.662  -7.738   2.606
   96    HD2  ARG  10           HD2      ARG  10   0.513  -6.219   4.562
   97    HD3  ARG  10           HD1      ARG  10  -0.160  -7.550   5.501
   98    HE   ARG  10           HE       ARG  10   2.238  -8.459   4.439
   99   HH11  ARG  10          HH11      ARG  10   2.646  -5.946   7.547
  100   HH12  ARG  10          HH12      ARG  10   1.161  -5.973   6.650
  101   HH21  ARG  10          HH21      ARG  10   4.370  -7.354   6.959
  102   HH22  ARG  10          HH22      ARG  10   4.188  -8.439   5.615
  103    H    TYR  11           HN       TYR  11  -2.491  -5.504   0.978
  104    HA   TYR  11           HA       TYR  11  -5.267  -5.569   1.810
  105    HB2  TYR  11           HB2      TYR  11  -3.574  -3.331   0.685
  106    HB3  TYR  11           HB1      TYR  11  -5.204  -3.151   1.313
  107    HD1  TYR  11           HD1      TYR  11  -5.475  -4.168   3.795
  108    HD2  TYR  11           HD2      TYR  11  -1.849  -2.737   2.091
  109    HE1  TYR  11           HE1      TYR  11  -4.575  -3.776   6.050
  110    HE2  TYR  11           HE2      TYR  11  -0.943  -2.340   4.337
  111    HH   TYR  11           HH       TYR  11  -1.695  -1.985   6.597
  112    H    AIB  12           HN       AIB  12  -4.608  -7.198  -0.407
  113   HB11  AIB  12          HB11      AIB  12  -5.628  -8.428  -3.595
  114   HB12  AIB  12          HB12      AIB  12  -5.879  -8.841  -1.899
  115   HB13  AIB  12          HB13      AIB  12  -4.260  -8.454  -2.483
  116   HB21  AIB  12          HB21      AIB  12  -5.118  -6.172  -4.264
  117   HB22  AIB  12          HB22      AIB  12  -3.714  -6.195  -3.196
  118   HB23  AIB  12          HB23      AIB  12  -4.901  -4.898  -3.065
  119    H    GLY  13           HN       GLY  13  -7.359  -6.970  -0.479
  120    HA2  GLY  13           HA2      GLY  13  -9.571  -6.616  -2.349
  121    HA3  GLY  13           HA1      GLY  13  -9.691  -7.173  -0.691
  122    H    CYS  14           HN       CYS  14  -7.714  -4.512  -0.777
  123    HA   CYS  14           HA       CYS  14  -9.943  -2.754   0.013
  124    HB2  CYS  14           HB2      CYS  14  -7.025  -2.602   0.801
  125    HB3  CYS  14           HB1      CYS  14  -8.312  -1.570   1.404
  126    H    GLU  15           HN       GLU  15  -9.408  -0.377  -0.315
  127    HA   GLU  15           HA       GLU  15  -8.307   0.100  -2.948
  128    HB2  GLU  15           HB2      GLU  15  -9.454   1.920  -0.824
  129    HB3  GLU  15           HB1      GLU  15  -8.723   2.541  -2.293
  130    HG2  GLU  15           HG2      GLU  15 -11.127   2.479  -2.486
  131    HG3  GLU  15           HG1      GLU  15 -10.386   1.365  -3.629
  132    HN1  MVA  16           HM1      MEV  16  -6.787   0.827  -4.174
  133    HN2  MVA  16           HM2      MEV  16  -6.680  -0.856  -3.656
  134    HN3  MVA  16           HM3      MEV  16  -5.235  -0.005  -4.199
  135    HA   MVA  16           HA       MEV  16  -4.538   1.448  -1.004
  136    HB   MVA  16           HB       MEV  16  -4.571  -0.858  -0.334
  137   HG11  MVA  16          HG11      MEV  16  -3.558  -2.631  -1.708
  138   HG12  MVA  16          HG12      MEV  16  -3.452  -1.498  -3.054
  139   HG13  MVA  16          HG13      MEV  16  -5.027  -1.972  -2.423
  140   HG21  MVA  16          HG21      MEV  16  -1.888  -0.169  -1.521
  141   HG22  MVA  16          HG22      MEV  16  -2.196  -1.247  -0.157
  142   HG23  MVA  16          HG23      MEV  16  -2.526   0.480  -0.012
  143    H    ARG  17           HN       ARG  17  -3.448   2.951  -1.856
  144    HA   ARG  17           HA       ARG  17  -2.056   2.486  -4.405
  145    HB2  ARG  17           HB2      ARG  17  -2.985   5.124  -3.256
  146    HB3  ARG  17           HB1      ARG  17  -2.190   4.890  -4.805
  147    HG2  ARG  17           HG2      ARG  17  -4.099   3.607  -5.605
  148    HG3  ARG  17           HG1      ARG  17  -4.896   3.812  -4.044
  149    HD2  ARG  17           HD2      ARG  17  -4.155   5.992  -5.993
  150    HD3  ARG  17           HD1      ARG  17  -5.777   5.406  -5.634
  151    HE   ARG  17           HE       ARG  17  -4.080   6.762  -3.634
  152   HH11  ARG  17          HH11      ARG  17  -7.186   6.281  -5.198
  153   HH12  ARG  17          HH12      ARG  17  -8.011   7.408  -4.167
  154   HH21  ARG  17          HH21      ARG  17  -6.875   8.513  -2.522
  155   HH22  ARG  17          HH22      ARG  17  -5.176   8.243  -2.300
  156    H    CYS  18           HN       CYS  18  -0.006   2.087  -3.976
  157    HA   CYS  18           HA       CYS  18   1.257   3.439  -1.710
  158    HB2  CYS  18           HB2      CYS  18   3.097   1.721  -2.141
  159    HB3  CYS  18           HB1      CYS  18   1.560   1.113  -1.532
  160    H    ASP  19           HN       ASP  19   3.017   4.743  -1.956
  161    HA   ASP  19           HA       ASP  19   4.079   5.147  -4.652
  162    HB2  ASP  19           HB2      ASP  19   2.233   6.783  -4.313
  163    HB3  ASP  19           HB1      ASP  19   3.082   7.407  -2.903
  164    HA   DPR  20           HA       DPR  20   8.017   5.767  -2.698
  165    HB2  DPR  20           HB1      DPR  20   8.183   2.840  -2.421
  166    HB3  DPR  20           HB2      DPR  20   9.252   3.954  -3.279
  167    HG2  DPR  20           HG1      DPR  20   7.600   2.311  -4.598
  168    HG3  DPR  20           HG2      DPR  20   7.948   3.948  -5.183
  169    HD2  DPR  20           HD1      DPR  20   5.530   2.920  -3.757
  170    HD3  DPR  20           HD2      DPR  20   5.645   4.082  -5.093
  171    HA   PRO  21           HA       PRO  21   7.820   4.727   1.659
  172    HB2  PRO  21           HB2      PRO  21   8.035   7.229   2.616
  173    HB3  PRO  21           HB1      PRO  21   9.413   6.383   1.902
  174    HG2  PRO  21           HG2      PRO  21   7.620   8.445   0.680
  175    HG3  PRO  21           HG1      PRO  21   9.382   8.292   0.575
  176    HD2  PRO  21           HD2      PRO  21   7.670   7.453  -1.384
  177    HD3  PRO  21           HD1      PRO  21   9.269   6.738  -1.105
  178    H    ARG  22           HN       ARG  22   5.510   6.289  -0.214
  179    HA   ARG  22           HA       ARG  22   3.773   6.904   2.064
  180    HB2  ARG  22           HB2      ARG  22   3.598   7.645  -0.855
  181    HB3  ARG  22           HB1      ARG  22   2.339   8.009   0.315
  182    HG2  ARG  22           HG2      ARG  22   5.185   8.979   0.464
  183    HG3  ARG  22           HG1      ARG  22   3.808   9.923  -0.110
  184    HD2  ARG  22           HD2      ARG  22   2.747   9.732   2.072
  185    HD3  ARG  22           HD1      ARG  22   4.086   8.741   2.651
  186    HE   ARG  22           HE       ARG  22   5.019  11.242   1.679
  187   HH11  ARG  22          HH11      ARG  22   3.947  10.928   5.538
  188   HH12  ARG  22          HH12      ARG  22   3.394   9.750   4.393
  189   HH21  ARG  22          HH21      ARG  22   5.285  12.666   4.848
  190   HH22  ARG  22          HH22      ARG  22   5.751  12.801   3.181
  191    H    TYR  23           HN       TYR  23   1.812   5.981   2.370
  192    HA   TYR  23           HA       TYR  23   0.954   3.870   0.521
  193    HB2  TYR  23           HB2      TYR  23   1.088   3.526   3.523
  194    HB3  TYR  23           HB1      TYR  23   0.530   2.332   2.356
  195    HD1  TYR  23           HD1      TYR  23   3.329   3.600   4.160
  196    HD2  TYR  23           HD2      TYR  23   2.224   1.471   0.650
  197    HE1  TYR  23           HE1      TYR  23   5.614   2.717   3.983
  198    HE2  TYR  23           HE2      TYR  23   4.504   0.578   0.464
  199    HH   TYR  23           HH       TYR  23   6.805   1.252   1.210
  200    H    GLU  24           HN       GLU  24  -1.065   4.327  -0.055
  201    HA   GLU  24           HA       GLU  24  -2.853   5.557   1.936
  202    HB2  GLU  24           HB2      GLU  24  -2.375   6.848  -0.185
  203    HB3  GLU  24           HB1      GLU  24  -3.178   5.559  -1.066
  204    HG2  GLU  24           HG2      GLU  24  -4.670   7.432  -0.717
  205    HG3  GLU  24           HG1      GLU  24  -5.243   5.999   0.135
  206    HN1  MVA  25           HM1      MEV  25  -3.236   4.424   3.572
  207    HN2  MVA  25           HM2      MEV  25  -4.873   3.916   3.991
  208    HN3  MVA  25           HM3      MEV  25  -4.621   5.322   2.957
  209    HA   MVA  25           HA       MEV  25  -5.330   1.963   1.011
  210    HB   MVA  25           HB       MEV  25  -3.399   0.855   1.895
  211   HG11  MVA  25          HG11      MEV  25  -3.112   0.391   4.283
  212   HG12  MVA  25          HG12      MEV  25  -4.476   1.450   4.645
  213   HG13  MVA  25          HG13      MEV  25  -3.008   2.115   3.928
  214   HG21  MVA  25          HG21      MEV  25  -5.924  -0.128   3.208
  215   HG22  MVA  25          HG22      MEV  25  -4.475  -1.089   2.913
  216   HG23  MVA  25          HG23      MEV  25  -5.411  -0.462   1.556
  217    H    HIS  26           HN       HIS  26  -7.370   1.785   1.154
  218    HA   HIS  26           HA       HIS  26  -8.717   2.342   3.718
  219    HB2  HIS  26           HB2      HIS  26  -9.697   2.992   0.925
  220    HB3  HIS  26           HB1      HIS  26 -10.620   3.222   2.401
  221    HD1  HIS  26           HD1      HIS  26 -10.458   5.480   3.420
  222    HD2  HIS  26           HD2      HIS  26  -7.247   4.663   0.913
  223    HE1  HIS  26           HE1      HIS  26  -9.110   7.596   3.331
  224    HE2  HIS  26           HE2      HIS  26  -7.043   6.987   2.023
  225    H    CYS  27           HN       CYS  27  -9.607   0.543   4.485
  226    HA   CYS  27           HA       CYS  27 -10.484  -1.523   2.590
  227    HB2  CYS  27           HB2      CYS  27  -9.826  -1.716   5.531
  228    HB3  CYS  27           HB1      CYS  27 -10.424  -3.048   4.554
  229    HN1  NH2  28           HN1      NH2  28 -12.421  -0.304   2.178
  230    HN2  NH2  28           HN2      NH2  28 -13.743  -0.396   3.286
  Start of MODEL    3
    1    H1   ASN   1           HT1      ASN   1  14.446  -5.948  -0.113
    2    H2   ASN   1           HT2      ASN   1  13.694  -4.449  -0.342
    3    H3   ASN   1           HT3      ASN   1  13.953  -5.473  -1.660
    4    HA   ASN   1           HA       ASN   1  12.432  -7.086  -0.786
    5    HB2  ASN   1           HB2      ASN   1  11.983  -5.061   1.426
    6    HB3  ASN   1           HB1      ASN   1  11.095  -6.566   1.214
    7   HD21  ASN   1          HD21      ASN   1  11.694  -7.351   3.217
    8   HD22  ASN   1          HD22      ASN   1  13.304  -7.876   3.567
    9    H    ASP   2           HN       ASP   2  10.295  -6.990  -1.540
   10    HA   ASP   2           HA       ASP   2   9.773  -4.527  -3.029
   11    HB2  ASP   2           HB2      ASP   2   8.879  -7.374  -3.368
   12    HB3  ASP   2           HB1      ASP   2   8.028  -6.062  -4.172
   13    H    B3K   3           HN       B3K   3   9.134  -4.371  -0.293
   14    HA   B3K   3           HA       B3K   3   6.227  -4.661  -0.281
   15    HG2  B3K   3           HG1      B3K   3   6.425  -4.039   2.161
   16    HG3  B3K   3           HG2      B3K   3   8.166  -3.923   1.959
   17    HD2  B3K   3           HD1      B3K   3   8.331  -6.267   1.485
   18    HD3  B3K   3           HD2      B3K   3   6.574  -6.427   1.469
   19    HE2  B3K   3           HE1      B3K   3   6.497  -5.802   3.838
   20    HE3  B3K   3           HE2      B3K   3   8.255  -5.655   3.853
   21    HF1  B3K   3           HF1      B3K   3   8.486  -8.010   3.330
   22    HF2  B3K   3           HF2      B3K   3   6.737  -8.179   3.212
   23   HNZ1  B3K   3           HZ1      B3K   3   6.540  -7.655   5.545
   24   HNZ2  B3K   3           HZ2      B3K   3   8.207  -7.410   5.675
   25    HB1  B3K   3           HB1      B3K   3   6.840  -2.154   0.958
   26    HB2  B3K   3           HB2      B3K   3   7.567  -2.169  -0.649
   27    H    CYS   4           HN       CYS   4   6.333  -1.556  -2.252
   28    HA   CYS   4           HA       CYS   4   3.558  -1.039  -1.894
   29    HB2  CYS   4           HB2      CYS   4   5.105  -1.145  -4.495
   30    HB3  CYS   4           HB1      CYS   4   3.566  -0.343  -4.216
   31    H    LYS   5           HN       LYS   5   5.407  -3.472  -3.721
   32    HA   LYS   5           HA       LYS   5   3.185  -4.736  -4.900
   33    HB2  LYS   5           HB2      LYS   5   5.863  -5.961  -4.217
   34    HB3  LYS   5           HB1      LYS   5   4.688  -6.612  -5.346
   35    HG2  LYS   5           HG2      LYS   5   4.970  -4.541  -6.713
   36    HG3  LYS   5           HG1      LYS   5   6.294  -4.089  -5.634
   37    HD2  LYS   5           HD2      LYS   5   7.409  -6.236  -6.180
   38    HD3  LYS   5           HD1      LYS   5   6.125  -6.573  -7.340
   39    HE2  LYS   5           HE2      LYS   5   8.012  -5.686  -8.521
   40    HE3  LYS   5           HE1      LYS   5   6.726  -4.480  -8.527
   41    HZ1  LYS   5           HZ1      LYS   5   7.839  -3.330  -6.726
   42    HZ2  LYS   5           HZ2      LYS   5   8.874  -3.489  -8.050
   43    HZ3  LYS   5           HZ3      LYS   5   9.070  -4.496  -6.698
   44    H    B3E   6           HN       B3E   6   5.234  -6.017  -2.269
   45    HA   B3E   6           HA       B3E   6   2.831  -7.440  -1.332
   46    HG2  B3E   6           HG1      B3E   6   4.477  -8.945  -0.182
   47    HG3  B3E   6           HG2      B3E   6   5.805  -7.914  -0.692
   48    HD2  B3E   6           HD1      B3E   6   5.173  -8.445  -3.062
   49    HD3  B3E   6           HD2      B3E   6   4.058  -9.646  -2.414
   50    HB1  B3E   6           HB1      B3E   6   4.332  -6.993   0.971
   51    HB2  B3E   6           HB2      B3E   6   4.499  -5.474   0.102
   52    H    LEU   7           HN       LEU   7   3.041  -4.014   0.411
   53    HA   LEU   7           HA       LEU   7   0.819  -4.596   2.102
   54    HB2  LEU   7           HB2      LEU   7   1.584  -2.064   0.660
   55    HB3  LEU   7           HB1      LEU   7   0.295  -2.190   1.841
   56    HG   LEU   7           HG       LEU   7   3.238  -2.619   2.361
   57   HD11  LEU   7          HD11      LEU   7   2.666  -0.290   2.082
   58   HD12  LEU   7          HD12      LEU   7   3.004  -0.633   3.779
   59   HD13  LEU   7          HD13      LEU   7   1.337  -0.454   3.231
   60   HD21  LEU   7          HD21      LEU   7   0.872  -2.833   4.218
   61   HD22  LEU   7          HD22      LEU   7   2.556  -2.778   4.737
   62   HD23  LEU   7          HD23      LEU   7   1.980  -4.126   3.756
   63    H    LYS   8           HN       LYS   8   1.159  -3.811  -1.372
   64    HA   LYS   8           HA       LYS   8  -1.568  -3.644  -1.946
   65    HB2  LYS   8           HB2      LYS   8   0.085  -3.044  -3.623
   66    HB3  LYS   8           HB1      LYS   8   0.667  -4.700  -3.687
   67    HG2  LYS   8           HG2      LYS   8  -0.756  -4.109  -5.603
   68    HG3  LYS   8           HG1      LYS   8  -1.410  -5.446  -4.655
   69    HD2  LYS   8           HD2      LYS   8  -2.941  -3.895  -3.536
   70    HD3  LYS   8           HD1      LYS   8  -2.287  -2.563  -4.490
   71    HE2  LYS   8           HE2      LYS   8  -3.619  -5.003  -5.654
   72    HE3  LYS   8           HE1      LYS   8  -4.438  -3.473  -5.350
   73    HZ1  LYS   8           HZ1      LYS   8  -2.105  -3.833  -7.149
   74    HZ2  LYS   8           HZ2      LYS   8  -2.946  -2.392  -6.889
   75    HZ3  LYS   8           HZ3      LYS   8  -3.711  -3.689  -7.654
   76    H    B3K   9           HN       B3K   9   0.467  -6.521  -2.585
   77    HA   B3K   9           HA       B3K   9  -1.971  -8.086  -2.106
   78    HG2  B3K   9           HG1      B3K   9  -0.770  -8.429  -4.305
   79    HG3  B3K   9           HG2      B3K   9  -0.780  -9.903  -3.349
   80    HD2  B3K   9           HD1      B3K   9   1.514  -9.546  -2.691
   81    HD3  B3K   9           HD2      B3K   9   1.540  -7.991  -3.523
   82    HE2  B3K   9           HE1      B3K   9   2.632  -9.715  -4.858
   83    HE3  B3K   9           HE2      B3K   9   1.179  -9.119  -5.657
   84    HF1  B3K   9           HF1      B3K   9  -0.066 -11.066  -4.864
   85    HF2  B3K   9           HF2      B3K   9   1.383 -11.665  -4.057
   86   HNZ1  B3K   9           HZ1      B3K   9   1.029 -12.734  -6.199
   87   HNZ2  B3K   9           HZ2      B3K   9   2.468 -11.851  -6.196
   88    HB1  B3K   9           HB1      B3K   9   0.088  -9.738  -1.203
   89    HB2  B3K   9           HB2      B3K   9   0.554  -8.155  -0.590
   90    H    ARG  10           HN       ARG  10  -0.491  -7.278   1.063
   91    HA   ARG  10           HA       ARG  10  -2.280  -8.997   2.544
   92    HB2  ARG  10           HB2      ARG  10  -1.152  -6.262   3.154
   93    HB3  ARG  10           HB1      ARG  10  -2.175  -7.171   4.253
   94    HG2  ARG  10           HG2      ARG  10  -0.499  -8.960   4.321
   95    HG3  ARG  10           HG1      ARG  10   0.535  -8.011   3.253
   96    HD2  ARG  10           HD2      ARG  10   0.659  -6.240   4.914
   97    HD3  ARG  10           HD1      ARG  10  -0.428  -7.138   5.973
   98    HE   ARG  10           HE       ARG  10   1.665  -8.844   5.476
   99   HH11  ARG  10          HH11      ARG  10   2.704  -5.794   7.873
  100   HH12  ARG  10          HH12      ARG  10   1.327  -5.633   6.833
  101   HH21  ARG  10          HH21      ARG  10   3.926  -7.739   7.882
  102   HH22  ARG  10          HH22      ARG  10   3.481  -9.053   6.842
  103    H    TYR  11           HN       TYR  11  -2.486  -5.799   1.018
  104    HA   TYR  11           HA       TYR  11  -5.251  -5.514   1.872
  105    HB2  TYR  11           HB2      TYR  11  -3.369  -3.649   0.427
  106    HB3  TYR  11           HB1      TYR  11  -5.024  -3.242   0.840
  107    HD1  TYR  11           HD1      TYR  11  -5.554  -3.745   3.464
  108    HD2  TYR  11           HD2      TYR  11  -1.748  -2.819   1.812
  109    HE1  TYR  11           HE1      TYR  11  -4.814  -2.909   5.654
  110    HE2  TYR  11           HE2      TYR  11  -0.995  -1.989   3.997
  111    HH   TYR  11           HH       TYR  11  -1.939  -1.109   6.051
  112    H    AIB  12           HN       AIB  12  -4.772  -7.564   0.005
  113   HB11  AIB  12          HB11      AIB  12  -6.122  -9.295  -2.810
  114   HB12  AIB  12          HB12      AIB  12  -6.330  -9.294  -1.059
  115   HB13  AIB  12          HB13      AIB  12  -4.710  -9.278  -1.758
  116   HB21  AIB  12          HB21      AIB  12  -5.304  -7.346  -3.966
  117   HB22  AIB  12          HB22      AIB  12  -3.882  -7.325  -2.922
  118   HB23  AIB  12          HB23      AIB  12  -4.879  -5.880  -3.083
  119    H    GLY  13           HN       GLY  13  -7.561  -7.131  -0.114
  120    HA2  GLY  13           HA2      GLY  13  -9.664  -6.637  -2.097
  121    HA3  GLY  13           HA1      GLY  13  -9.918  -7.141  -0.437
  122    H    CYS  14           HN       CYS  14  -7.630  -4.639  -0.816
  123    HA   CYS  14           HA       CYS  14  -9.682  -2.634  -0.139
  124    HB2  CYS  14           HB2      CYS  14  -6.880  -2.817   0.971
  125    HB3  CYS  14           HB1      CYS  14  -8.050  -1.567   1.353
  126    H    GLU  15           HN       GLU  15  -9.123  -0.430  -0.687
  127    HA   GLU  15           HA       GLU  15  -7.687  -0.248  -3.194
  128    HB2  GLU  15           HB2      GLU  15  -9.106   1.848  -1.532
  129    HB3  GLU  15           HB1      GLU  15  -8.408   2.134  -3.120
  130    HG2  GLU  15           HG2      GLU  15 -10.634   0.205  -2.508
  131    HG3  GLU  15           HG1      GLU  15 -10.824   1.804  -3.222
  132    HN1  MVA  16           HM1      MEV  16  -4.545   0.144  -4.235
  133    HN2  MVA  16           HM2      MEV  16  -6.228   0.657  -4.341
  134    HN3  MVA  16           HM3      MEV  16  -5.832  -0.954  -3.743
  135    HA   MVA  16           HA       MEV  16  -4.311   1.740  -1.046
  136    HB   MVA  16           HB       MEV  16  -4.113  -0.506  -0.242
  137   HG11  MVA  16          HG11      MEV  16  -4.272  -1.761  -2.304
  138   HG12  MVA  16          HG12      MEV  16  -2.827  -2.223  -1.408
  139   HG13  MVA  16          HG13      MEV  16  -2.691  -1.165  -2.810
  140   HG21  MVA  16          HG21      MEV  16  -1.689  -0.654   0.046
  141   HG22  MVA  16          HG22      MEV  16  -2.263   1.004   0.220
  142   HG23  MVA  16          HG23      MEV  16  -1.464   0.500  -1.269
  143    H    ARG  17           HN       ARG  17  -3.232   3.317  -1.811
  144    HA   ARG  17           HA       ARG  17  -1.788   3.012  -4.353
  145    HB2  ARG  17           HB2      ARG  17  -2.529   5.515  -2.826
  146    HB3  ARG  17           HB1      ARG  17  -1.657   5.481  -4.348
  147    HG2  ARG  17           HG2      ARG  17  -3.622   4.412  -5.400
  148    HG3  ARG  17           HG1      ARG  17  -4.492   4.595  -3.876
  149    HD2  ARG  17           HD2      ARG  17  -3.311   6.842  -5.508
  150    HD3  ARG  17           HD1      ARG  17  -5.012   6.397  -5.467
  151    HE   ARG  17           HE       ARG  17  -3.549   7.374  -3.087
  152   HH11  ARG  17          HH11      ARG  17  -6.377   7.356  -5.165
  153   HH12  ARG  17          HH12      ARG  17  -7.261   8.476  -4.180
  154   HH21  ARG  17          HH21      ARG  17  -6.321   9.336  -2.281
  155   HH22  ARG  17          HH22      ARG  17  -4.711   8.876  -1.807
  156    H    CYS  18           HN       CYS  18   0.356   2.881  -4.344
  157    HA   CYS  18           HA       CYS  18   1.765   3.622  -1.869
  158    HB2  CYS  18           HB2      CYS  18   1.898   1.215  -2.587
  159    HB3  CYS  18           HB1      CYS  18   2.735   1.755  -4.039
  160    H    ASP  19           HN       ASP  19   3.000   5.383  -1.978
  161    HA   ASP  19           HA       ASP  19   4.244   6.063  -4.548
  162    HB2  ASP  19           HB2      ASP  19   2.192   7.478  -4.146
  163    HB3  ASP  19           HB1      ASP  19   2.999   8.124  -2.720
  164    HA   DPR  20           HA       DPR  20   7.989   7.057  -2.393
  165    HB2  DPR  20           HB1      DPR  20   8.511   4.149  -2.530
  166    HB3  DPR  20           HB2      DPR  20   9.494   5.500  -3.101
  167    HG2  DPR  20           HG1      DPR  20   8.148   3.949  -4.807
  168    HG3  DPR  20           HG2      DPR  20   8.313   5.692  -5.080
  169    HD2  DPR  20           HD1      DPR  20   5.964   4.141  -4.075
  170    HD3  DPR  20           HD2      DPR  20   6.013   5.558  -5.143
  171    HA   PRO  21           HA       PRO  21   7.915   5.363   1.758
  172    HB2  PRO  21           HB2      PRO  21   8.020   7.705   3.061
  173    HB3  PRO  21           HB1      PRO  21   9.428   7.045   2.222
  174    HG2  PRO  21           HG2      PRO  21   7.515   9.166   1.332
  175    HG3  PRO  21           HG1      PRO  21   9.281   9.124   1.191
  176    HD2  PRO  21           HD2      PRO  21   7.574   8.488  -0.853
  177    HD3  PRO  21           HD1      PRO  21   9.217   7.839  -0.705
  178    H    ARG  22           HN       ARG  22   5.481   6.953   0.116
  179    HA   ARG  22           HA       ARG  22   3.784   7.167   2.500
  180    HB2  ARG  22           HB2      ARG  22   3.656   8.475  -0.196
  181    HB3  ARG  22           HB1      ARG  22   2.244   8.409   0.849
  182    HG2  ARG  22           HG2      ARG  22   4.895   9.665   1.526
  183    HG3  ARG  22           HG1      ARG  22   3.410  10.519   1.105
  184    HD2  ARG  22           HD2      ARG  22   3.914   8.811   3.538
  185    HD3  ARG  22           HD1      ARG  22   3.642  10.552   3.493
  186    HE   ARG  22           HE       ARG  22   1.352   9.894   2.571
  187   HH11  ARG  22          HH11      ARG  22   1.749   7.205   5.535
  188   HH12  ARG  22          HH12      ARG  22   3.153   8.015   4.917
  189   HH21  ARG  22          HH21      ARG  22  -0.338   7.687   4.665
  190   HH22  ARG  22          HH22      ARG  22  -0.495   8.843   3.376
  191    H    TYR  23           HN       TYR  23   1.906   6.114   2.701
  192    HA   TYR  23           HA       TYR  23   1.130   4.244   0.584
  193    HB2  TYR  23           HB2      TYR  23   1.347   3.530   3.515
  194    HB3  TYR  23           HB1      TYR  23   0.819   2.463   2.219
  195    HD1  TYR  23           HD1      TYR  23   3.661   3.933   3.925
  196    HD2  TYR  23           HD2      TYR  23   2.451   1.636   0.561
  197    HE1  TYR  23           HE1      TYR  23   5.986   3.214   3.588
  198    HE2  TYR  23           HE2      TYR  23   4.772   0.908   0.213
  199    HH   TYR  23           HH       TYR  23   7.231   1.431   2.542
  200    H    GLU  24           HN       GLU  24  -0.972   4.278   0.198
  201    HA   GLU  24           HA       GLU  24  -2.770   5.429   2.229
  202    HB2  GLU  24           HB2      GLU  24  -2.940   5.624  -0.781
  203    HB3  GLU  24           HB1      GLU  24  -4.160   6.219   0.332
  204    HG2  GLU  24           HG2      GLU  24  -2.637   7.846   1.217
  205    HG3  GLU  24           HG1      GLU  24  -1.313   7.180   0.259
  206    HN1  MVA  25           HM1      MEV  25  -3.759   4.516   3.768
  207    HN2  MVA  25           HM2      MEV  25  -5.487   4.167   3.723
  208    HN3  MVA  25           HM3      MEV  25  -4.818   5.451   2.715
  209    HA   MVA  25           HA       MEV  25  -5.378   2.026   0.935
  210    HB   MVA  25           HB       MEV  25  -3.582   0.874   2.004
  211   HG11  MVA  25          HG11      MEV  25  -3.331   2.141   4.042
  212   HG12  MVA  25          HG12      MEV  25  -3.555   0.434   4.427
  213   HG13  MVA  25          HG13      MEV  25  -4.891   1.566   4.627
  214   HG21  MVA  25          HG21      MEV  25  -4.808  -1.027   2.949
  215   HG22  MVA  25          HG22      MEV  25  -5.573  -0.404   1.487
  216   HG23  MVA  25          HG23      MEV  25  -6.252  -0.024   3.068
  217    H    HIS  26           HN       HIS  26  -7.420   2.048   0.830
  218    HA   HIS  26           HA       HIS  26  -9.017   2.602   3.242
  219    HB2  HIS  26           HB2      HIS  26  -9.781   3.071   0.350
  220    HB3  HIS  26           HB1      HIS  26 -10.770   3.443   1.754
  221    HD1  HIS  26           HD1      HIS  26  -9.823   5.410   3.335
  222    HD2  HIS  26           HD2      HIS  26  -8.086   5.069  -0.424
  223    HE1  HIS  26           HE1      HIS  26  -8.636   7.586   2.937
  224    HE2  HIS  26           HE2      HIS  26  -7.786   7.428   0.576
  225    H    CYS  27           HN       CYS  27  -9.901   0.806   3.997
  226    HA   CYS  27           HA       CYS  27 -10.578  -1.361   2.152
  227    HB2  CYS  27           HB2      CYS  27 -10.370  -1.307   5.167
  228    HB3  CYS  27           HB1      CYS  27 -10.862  -2.713   4.231
  229    HN1  NH2  28           HN1      NH2  28 -12.462  -0.491   1.297
  230    HN2  NH2  28           HN2      NH2  28 -13.913  -0.326   2.216
  Start of MODEL    4
    1    H1   ASN   1           HT1      ASN   1  11.961  -2.222  -5.544
    2    H2   ASN   1           HT2      ASN   1  12.843  -2.955  -4.306
    3    H3   ASN   1           HT3      ASN   1  12.874  -1.277  -4.483
    4    HA   ASN   1           HA       ASN   1  11.466  -1.937  -2.644
    5    HB2  ASN   1           HB2      ASN   1  10.957   0.103  -3.988
    6    HB3  ASN   1           HB1      ASN   1   9.889  -0.861  -4.995
    7   HD21  ASN   1          HD21      ASN   1   9.355   1.468  -3.297
    8   HD22  ASN   1          HD22      ASN   1   8.103   0.979  -2.208
    9    H    ASP   2           HN       ASP   2  10.766  -3.865  -1.968
   10    HA   ASP   2           HA       ASP   2   8.954  -5.372  -3.724
   11    HB2  ASP   2           HB2      ASP   2  10.665  -6.315  -1.418
   12    HB3  ASP   2           HB1      ASP   2   9.462  -7.322  -2.220
   13    H    B3K   3           HN       B3K   3   9.215  -3.664  -0.766
   14    HA   B3K   3           HA       B3K   3   6.451  -4.458  -0.147
   15    HG2  B3K   3           HG1      B3K   3   7.014  -3.896   2.250
   16    HG3  B3K   3           HG2      B3K   3   8.652  -3.479   1.768
   17    HD2  B3K   3           HD1      B3K   3   9.045  -5.795   1.095
   18    HD3  B3K   3           HD2      B3K   3   7.402  -6.211   1.590
   19    HE2  B3K   3           HE1      B3K   3   7.919  -5.549   3.883
   20    HE3  B3K   3           HE2      B3K   3   9.557  -5.115   3.391
   21    HF1  B3K   3           HF1      B3K   3   8.346  -7.870   3.216
   22    HF2  B3K   3           HF2      B3K   3   9.470  -7.324   4.458
   23   HNZ1  B3K   3           HZ1      B3K   3  11.123  -6.945   2.728
   24   HNZ2  B3K   3           HZ2      B3K   3  10.047  -7.517   1.555
   25    HB1  B3K   3           HB1      B3K   3   6.863  -1.975   1.077
   26    HB2  B3K   3           HB2      B3K   3   7.705  -1.813  -0.463
   27    H    CYS   4           HN       CYS   4   6.601  -1.440  -2.229
   28    HA   CYS   4           HA       CYS   4   3.823  -0.884  -2.072
   29    HB2  CYS   4           HB2      CYS   4   5.632  -1.102  -4.486
   30    HB3  CYS   4           HB1      CYS   4   3.994  -0.455  -4.501
   31    H    LYS   5           HN       LYS   5   5.696  -3.450  -3.697
   32    HA   LYS   5           HA       LYS   5   3.643  -4.845  -4.896
   33    HB2  LYS   5           HB2      LYS   5   6.035  -6.064  -3.513
   34    HB3  LYS   5           HB1      LYS   5   5.043  -6.843  -4.731
   35    HG2  LYS   5           HG2      LYS   5   5.777  -5.195  -6.382
   36    HG3  LYS   5           HG1      LYS   5   6.784  -4.425  -5.150
   37    HD2  LYS   5           HD2      LYS   5   7.971  -6.596  -4.857
   38    HD3  LYS   5           HD1      LYS   5   7.044  -7.238  -6.211
   39    HE2  LYS   5           HE2      LYS   5   8.006  -5.600  -7.697
   40    HE3  LYS   5           HE1      LYS   5   8.855  -4.832  -6.355
   41    HZ1  LYS   5           HZ1      LYS   5   9.309  -7.580  -7.382
   42    HZ2  LYS   5           HZ2      LYS   5  10.085  -6.915  -6.034
   43    HZ3  LYS   5           HZ3      LYS   5  10.342  -6.255  -7.573
   44    H    B3E   6           HN       B3E   6   5.115  -5.906  -1.827
   45    HA   B3E   6           HA       B3E   6   2.394  -6.680  -1.019
   46    HG2  B3E   6           HG1      B3E   6   3.596  -8.362   0.492
   47    HG3  B3E   6           HG2      B3E   6   5.103  -7.907  -0.286
   48    HD2  B3E   6           HD1      B3E   6   4.253  -8.692  -2.425
   49    HD3  B3E   6           HD2      B3E   6   2.721  -9.118  -1.666
   50    HB1  B3E   6           HB1      B3E   6   3.942  -6.362   1.323
   51    HB2  B3E   6           HB2      B3E   6   4.306  -4.964   0.315
   52    H    LEU   7           HN       LEU   7   2.967  -3.339   0.316
   53    HA   LEU   7           HA       LEU   7   0.627  -3.457   1.973
   54    HB2  LEU   7           HB2      LEU   7   2.032  -1.278   0.474
   55    HB3  LEU   7           HB1      LEU   7   0.433  -1.005   1.126
   56    HG   LEU   7           HG       LEU   7   2.168  -0.133   2.606
   57   HD11  LEU   7          HD11      LEU   7   0.069  -0.930   3.564
   58   HD12  LEU   7          HD12      LEU   7   1.422  -1.141   4.674
   59   HD13  LEU   7          HD13      LEU   7   0.781  -2.528   3.792
   60   HD21  LEU   7          HD21      LEU   7   3.673  -1.633   3.812
   61   HD22  LEU   7          HD22      LEU   7   3.979  -1.664   2.075
   62   HD23  LEU   7          HD23      LEU   7   3.100  -2.989   2.839
   63    H    LYS   8           HN       LYS   8   1.241  -2.935  -1.524
   64    HA   LYS   8           HA       LYS   8  -1.441  -2.356  -2.148
   65    HB2  LYS   8           HB2      LYS   8   0.518  -1.867  -3.633
   66    HB3  LYS   8           HB1      LYS   8   0.593  -3.582  -4.015
   67    HG2  LYS   8           HG2      LYS   8  -1.609  -3.497  -4.996
   68    HG3  LYS   8           HG1      LYS   8  -1.778  -1.803  -4.535
   69    HD2  LYS   8           HD2      LYS   8   0.145  -1.248  -5.969
   70    HD3  LYS   8           HD1      LYS   8   0.249  -2.939  -6.460
   71    HE2  LYS   8           HE2      LYS   8  -2.131  -1.137  -6.891
   72    HE3  LYS   8           HE1      LYS   8  -0.930  -1.544  -8.115
   73    HZ1  LYS   8           HZ1      LYS   8  -1.572  -3.872  -7.901
   74    HZ2  LYS   8           HZ2      LYS   8  -2.892  -2.915  -8.341
   75    HZ3  LYS   8           HZ3      LYS   8  -2.742  -3.464  -6.751
   76    H    B3K   9           HN       B3K   9   0.393  -5.402  -2.363
   77    HA   B3K   9           HA       B3K   9  -2.145  -6.762  -1.919
   78    HG2  B3K   9           HG1      B3K   9  -1.932  -6.859  -4.348
   79    HG3  B3K   9           HG2      B3K   9  -1.569  -8.456  -3.719
   80    HD2  B3K   9           HD1      B3K   9   0.813  -8.044  -3.998
   81    HD3  B3K   9           HD2      B3K   9   0.467  -6.423  -4.604
   82    HE2  B3K   9           HE1      B3K   9  -0.786  -7.389  -6.472
   83    HE3  B3K   9           HE2      B3K   9  -0.427  -9.008  -5.871
   84    HF1  B3K   9           HF1      B3K   9   1.092  -8.474  -7.657
   85    HF2  B3K   9           HF2      B3K   9   1.978  -8.543  -6.136
   86   HNZ1  B3K   9           HZ1      B3K   9   2.672  -6.652  -7.438
   87   HNZ2  B3K   9           HZ2      B3K   9   1.894  -6.118  -6.037
   88    HB1  B3K   9           HB1      B3K   9  -0.030  -8.661  -2.065
   89    HB2  B3K   9           HB2      B3K   9   0.566  -7.286  -1.139
   90    H    ARG  10           HN       ARG  10  -0.282  -6.801   0.819
   91    HA   ARG  10           HA       ARG  10  -1.766  -8.848   2.170
   92    HB2  ARG  10           HB2      ARG  10  -0.063  -7.634   3.381
   93    HB3  ARG  10           HB1      ARG  10  -0.841  -6.102   3.024
   94    HG2  ARG  10           HG2      ARG  10  -1.248  -6.762   5.313
   95    HG3  ARG  10           HG1      ARG  10  -2.751  -6.742   4.389
   96    HD2  ARG  10           HD2      ARG  10  -2.634  -9.169   4.139
   97    HD3  ARG  10           HD1      ARG  10  -1.121  -9.196   5.044
   98    HE   ARG  10           HE       ARG  10  -2.749  -8.024   6.802
   99   HH11  ARG  10          HH11      ARG  10  -4.268 -11.645   5.955
  100   HH12  ARG  10          HH12      ARG  10  -3.202 -10.876   4.823
  101   HH21  ARG  10          HH21      ARG  10  -4.804 -10.597   7.934
  102   HH22  ARG  10          HH22      ARG  10  -4.153  -9.029   8.292
  103    H    TYR  11           HN       TYR  11  -2.420  -5.575   1.025
  104    HA   TYR  11           HA       TYR  11  -5.134  -5.689   2.063
  105    HB2  TYR  11           HB2      TYR  11  -3.510  -3.499   0.780
  106    HB3  TYR  11           HB1      TYR  11  -5.206  -3.312   1.200
  107    HD1  TYR  11           HD1      TYR  11  -5.819  -3.856   3.680
  108    HD2  TYR  11           HD2      TYR  11  -1.891  -2.926   2.338
  109    HE1  TYR  11           HE1      TYR  11  -5.200  -3.203   5.965
  110    HE2  TYR  11           HE2      TYR  11  -1.261  -2.272   4.623
  111    HH   TYR  11           HH       TYR  11  -2.496  -1.430   6.707
  112    H    AIB  12           HN       AIB  12  -4.638  -7.519   0.060
  113   HB11  AIB  12          HB11      AIB  12  -6.140  -9.284  -1.082
  114   HB12  AIB  12          HB12      AIB  12  -4.530  -9.104  -1.780
  115   HB13  AIB  12          HB13      AIB  12  -5.948  -9.150  -2.830
  116   HB21  AIB  12          HB21      AIB  12  -4.978  -5.646  -2.886
  117   HB22  AIB  12          HB22      AIB  12  -5.375  -7.058  -3.863
  118   HB23  AIB  12          HB23      AIB  12  -3.903  -7.043  -2.895
  119    H    GLY  13           HN       GLY  13  -7.411  -7.200   0.111
  120    HA2  GLY  13           HA2      GLY  13  -9.698  -6.943  -1.690
  121    HA3  GLY  13           HA1      GLY  13  -9.764  -7.352   0.013
  122    H    CYS  14           HN       CYS  14  -7.728  -4.714  -0.590
  123    HA   CYS  14           HA       CYS  14  -9.909  -2.823   0.035
  124    HB2  CYS  14           HB2      CYS  14  -7.041  -2.717   0.988
  125    HB3  CYS  14           HB1      CYS  14  -8.284  -1.532   1.353
  126    H    GLU  15           HN       GLU  15  -9.351  -0.539  -0.586
  127    HA   GLU  15           HA       GLU  15  -8.072  -0.487  -3.196
  128    HB2  GLU  15           HB2      GLU  15  -9.348   1.754  -1.608
  129    HB3  GLU  15           HB1      GLU  15  -8.835   1.841  -3.289
  130    HG2  GLU  15           HG2      GLU  15 -11.038   0.144  -2.158
  131    HG3  GLU  15           HG1      GLU  15 -11.208   1.554  -3.196
  132    HN1  MVA  16           HM1      MEV  16  -4.943  -0.401  -4.253
  133    HN2  MVA  16           HM2      MEV  16  -6.575   0.245  -4.420
  134    HN3  MVA  16           HM3      MEV  16  -6.320  -1.333  -3.674
  135    HA   MVA  16           HA       MEV  16  -4.597   1.470  -1.207
  136    HB   MVA  16           HB       MEV  16  -4.487  -0.681  -0.219
  137   HG11  MVA  16          HG11      MEV  16  -3.318  -1.663  -2.810
  138   HG12  MVA  16          HG12      MEV  16  -4.870  -2.114  -2.104
  139   HG13  MVA  16          HG13      MEV  16  -3.370  -2.589  -1.311
  140   HG21  MVA  16          HG21      MEV  16  -2.077  -1.019  -0.017
  141   HG22  MVA  16          HG22      MEV  16  -2.484   0.699   0.002
  142   HG23  MVA  16          HG23      MEV  16  -1.814  -0.034  -1.456
  143    H    ARG  17           HN       ARG  17  -3.193   2.792  -1.880
  144    HA   ARG  17           HA       ARG  17  -1.764   2.266  -4.404
  145    HB2  ARG  17           HB2      ARG  17  -2.519   4.910  -3.151
  146    HB3  ARG  17           HB1      ARG  17  -1.584   4.720  -4.624
  147    HG2  ARG  17           HG2      ARG  17  -3.492   3.692  -5.725
  148    HG3  ARG  17           HG1      ARG  17  -4.435   3.832  -4.239
  149    HD2  ARG  17           HD2      ARG  17  -4.945   5.638  -5.831
  150    HD3  ARG  17           HD1      ARG  17  -4.263   6.251  -4.325
  151    HE   ARG  17           HE       ARG  17  -2.827   6.049  -6.895
  152   HH11  ARG  17          HH11      ARG  17  -3.170   7.421  -3.686
  153   HH12  ARG  17          HH12      ARG  17  -1.913   8.591  -3.915
  154   HH21  ARG  17          HH21      ARG  17  -0.775   8.682  -5.904
  155   HH22  ARG  17          HH22      ARG  17  -1.165   7.578  -7.184
  156    H    CYS  18           HN       CYS  18   0.436   2.628  -4.444
  157    HA   CYS  18           HA       CYS  18   1.665   3.271  -1.848
  158    HB2  CYS  18           HB2      CYS  18   2.032   0.925  -2.532
  159    HB3  CYS  18           HB1      CYS  18   2.788   1.491  -4.018
  160    H    ASP  19           HN       ASP  19   2.959   4.997  -1.808
  161    HA   ASP  19           HA       ASP  19   4.046   5.999  -4.351
  162    HB2  ASP  19           HB2      ASP  19   2.025   7.312  -3.461
  163    HB3  ASP  19           HB1      ASP  19   3.082   7.821  -2.149
  164    HA   DPR  20           HA       DPR  20   7.992   6.408  -2.356
  165    HB2  DPR  20           HB1      DPR  20   8.183   3.467  -2.597
  166    HB3  DPR  20           HB2      DPR  20   9.278   4.722  -3.183
  167    HG2  DPR  20           HG1      DPR  20   7.683   3.380  -4.856
  168    HG3  DPR  20           HG2      DPR  20   8.028   5.102  -5.091
  169    HD2  DPR  20           HD1      DPR  20   5.575   3.789  -4.013
  170    HD3  DPR  20           HD2      DPR  20   5.732   5.230  -5.035
  171    HA   PRO  21           HA       PRO  21   7.937   4.603   1.742
  172    HB2  PRO  21           HB2      PRO  21   8.258   6.877   3.122
  173    HB3  PRO  21           HB1      PRO  21   9.578   6.179   2.174
  174    HG2  PRO  21           HG2      PRO  21   7.723   8.425   1.472
  175    HG3  PRO  21           HG1      PRO  21   9.478   8.316   1.246
  176    HD2  PRO  21           HD2      PRO  21   7.666   7.838  -0.742
  177    HD3  PRO  21           HD1      PRO  21   9.274   7.097  -0.683
  178    H    ARG  22           HN       ARG  22   5.551   6.423   0.273
  179    HA   ARG  22           HA       ARG  22   3.926   6.595   2.716
  180    HB2  ARG  22           HB2      ARG  22   3.668   7.983   0.048
  181    HB3  ARG  22           HB1      ARG  22   2.443   8.066   1.306
  182    HG2  ARG  22           HG2      ARG  22   5.296   8.982   1.601
  183    HG3  ARG  22           HG1      ARG  22   3.912  10.032   1.285
  184    HD2  ARG  22           HD2      ARG  22   4.261   8.265   3.707
  185    HD3  ARG  22           HD1      ARG  22   4.530  10.006   3.668
  186    HE   ARG  22           HE       ARG  22   2.022   9.935   2.866
  187   HH11  ARG  22          HH11      ARG  22   2.101   7.934   6.350
  188   HH12  ARG  22          HH12      ARG  22   3.553   8.081   5.413
  189   HH21  ARG  22          HH21      ARG  22   0.143   8.873   5.602
  190   HH22  ARG  22          HH22      ARG  22   0.105   9.736   4.098
  191    H    TYR  23           HN       TYR  23   2.025   5.543   2.900
  192    HA   TYR  23           HA       TYR  23   1.222   3.823   0.650
  193    HB2  TYR  23           HB2      TYR  23   1.180   3.014   3.562
  194    HB3  TYR  23           HB1      TYR  23   0.778   2.005   2.177
  195    HD1  TYR  23           HD1      TYR  23   3.385   3.156   4.348
  196    HD2  TYR  23           HD2      TYR  23   2.626   1.430   0.539
  197    HE1  TYR  23           HE1      TYR  23   5.723   2.417   4.224
  198    HE2  TYR  23           HE2      TYR  23   4.961   0.685   0.404
  199    HH   TYR  23           HH       TYR  23   7.188   1.426   1.411
  200    H    GLU  24           HN       GLU  24  -0.808   4.151   0.075
  201    HA   GLU  24           HA       GLU  24  -2.672   5.240   2.071
  202    HB2  GLU  24           HB2      GLU  24  -2.594   5.544  -0.931
  203    HB3  GLU  24           HB1      GLU  24  -3.989   5.995   0.038
  204    HG2  GLU  24           HG2      GLU  24  -2.585   7.582   1.286
  205    HG3  GLU  24           HG1      GLU  24  -1.216   7.148   0.264
  206    HN1  MVA  25           HM1      MEV  25  -3.828   4.458   3.553
  207    HN2  MVA  25           HM2      MEV  25  -5.558   4.162   3.377
  208    HN3  MVA  25           HM3      MEV  25  -4.761   5.368   2.368
  209    HA   MVA  25           HA       MEV  25  -5.371   1.890   0.762
  210    HB   MVA  25           HB       MEV  25  -3.595   0.694   1.780
  211   HG11  MVA  25          HG11      MEV  25  -4.681   1.557   4.455
  212   HG12  MVA  25          HG12      MEV  25  -3.161   2.069   3.723
  213   HG13  MVA  25          HG13      MEV  25  -3.384   0.389   4.205
  214   HG21  MVA  25          HG21      MEV  25  -4.794  -1.119   2.885
  215   HG22  MVA  25          HG22      MEV  25  -5.693  -0.514   1.491
  216   HG23  MVA  25          HG23      MEV  25  -6.186  -0.061   3.123
  217    H    HIS  26           HN       HIS  26  -7.411   2.076   0.693
  218    HA   HIS  26           HA       HIS  26  -8.928   2.716   3.129
  219    HB2  HIS  26           HB2      HIS  26  -9.757   3.147   0.252
  220    HB3  HIS  26           HB1      HIS  26 -10.625   3.678   1.683
  221    HD1  HIS  26           HD1      HIS  26  -9.278   5.534   3.174
  222    HD2  HIS  26           HD2      HIS  26  -8.038   4.997  -0.757
  223    HE1  HIS  26           HE1      HIS  26  -7.941   7.581   2.598
  224    HE2  HIS  26           HE2      HIS  26  -7.066   7.155   0.276
  225    H    CYS  27           HN       CYS  27  -9.812   0.943   3.940
  226    HA   CYS  27           HA       CYS  27 -10.672  -1.201   2.151
  227    HB2  CYS  27           HB2      CYS  27 -10.476  -1.135   5.173
  228    HB3  CYS  27           HB1      CYS  27 -10.919  -2.537   4.209
  229    HN1  NH2  28           HN1      NH2  28 -11.973   0.265   5.108
  230    HN2  NH2  28           HN2      NH2  28 -13.613   0.343   4.564
  Start of MODEL    5
    1    H1   ASN   1           HT1      ASN   1  10.639  -1.399   1.378
    2    H2   ASN   1           HT2      ASN   1  11.950  -0.363   1.610
    3    H3   ASN   1           HT3      ASN   1  12.202  -1.916   1.000
    4    HA   ASN   1           HA       ASN   1  10.727   0.267  -0.342
    5    HB2  ASN   1           HB2      ASN   1  13.427  -0.967  -0.923
    6    HB3  ASN   1           HB1      ASN   1  12.600   0.170  -1.982
    7   HD21  ASN   1          HD21      ASN   1  15.172   0.376  -0.609
    8   HD22  ASN   1          HD22      ASN   1  15.081   1.815   0.345
    9    H    ASP   2           HN       ASP   2  11.526  -3.113  -0.165
   10    HA   ASP   2           HA       ASP   2  10.564  -3.807  -2.763
   11    HB2  ASP   2           HB2      ASP   2  12.139  -5.248  -1.530
   12    HB3  ASP   2           HB1      ASP   2  10.914  -5.538  -0.301
   13    H    B3K   3           HN       B3K   3   9.156  -3.621   0.452
   14    HA   B3K   3           HA       B3K   3   6.586  -4.512  -0.623
   15    HG2  B3K   3           HG1      B3K   3   5.854  -4.551   1.739
   16    HG3  B3K   3           HG2      B3K   3   7.367  -3.814   2.241
   17    HD2  B3K   3           HD1      B3K   3   8.593  -5.785   1.550
   18    HD3  B3K   3           HD2      B3K   3   7.107  -6.520   0.952
   19    HE2  B3K   3           HE1      B3K   3   6.184  -6.570   3.187
   20    HE3  B3K   3           HE2      B3K   3   7.607  -5.738   3.820
   21    HF1  B3K   3           HF1      B3K   3   7.653  -8.177   4.222
   22    HF2  B3K   3           HF2      B3K   3   9.013  -7.609   3.256
   23   HNZ1  B3K   3           HZ1      B3K   3   7.882  -8.375   1.267
   24   HNZ2  B3K   3           HZ2      B3K   3   6.569  -8.910   2.188
   25    HB1  B3K   3           HB1      B3K   3   6.164  -2.229   1.096
   26    HB2  B3K   3           HB2      B3K   3   7.231  -1.783  -0.234
   27    H    CYS   4           HN       CYS   4   6.409  -1.437  -2.183
   28    HA   CYS   4           HA       CYS   4   3.594  -1.257  -2.492
   29    HB2  CYS   4           HB2      CYS   4   5.161   0.260  -3.655
   30    HB3  CYS   4           HB1      CYS   4   5.748  -1.094  -4.614
   31    H    LYS   5           HN       LYS   5   5.980  -3.661  -3.360
   32    HA   LYS   5           HA       LYS   5   4.336  -5.185  -5.084
   33    HB2  LYS   5           HB2      LYS   5   6.662  -6.026  -3.344
   34    HB3  LYS   5           HB1      LYS   5   5.922  -7.035  -4.579
   35    HG2  LYS   5           HG2      LYS   5   6.658  -5.617  -6.317
   36    HG3  LYS   5           HG1      LYS   5   7.110  -4.345  -5.182
   37    HD2  LYS   5           HD2      LYS   5   9.065  -5.565  -6.042
   38    HD3  LYS   5           HD1      LYS   5   8.892  -5.726  -4.295
   39    HE2  LYS   5           HE2      LYS   5   7.885  -7.929  -4.592
   40    HE3  LYS   5           HE1      LYS   5   8.021  -7.764  -6.342
   41    HZ1  LYS   5           HZ1      LYS   5  10.324  -7.733  -4.467
   42    HZ2  LYS   5           HZ2      LYS   5  10.393  -7.732  -6.160
   43    HZ3  LYS   5           HZ3      LYS   5   9.816  -9.093  -5.342
   44    H    B3E   6           HN       B3E   6   5.425  -6.373  -1.919
   45    HA   B3E   6           HA       B3E   6   2.614  -6.946  -1.290
   46    HG2  B3E   6           HG1      B3E   6   3.343  -9.129  -0.310
   47    HG3  B3E   6           HG2      B3E   6   4.984  -8.823  -0.853
   48    HD2  B3E   6           HD1      B3E   6   4.238  -8.870  -3.171
   49    HD3  B3E   6           HD2      B3E   6   2.584  -9.156  -2.634
   50    HB1  B3E   6           HB1      B3E   6   4.365  -7.416   0.943
   51    HB2  B3E   6           HB2      B3E   6   4.716  -5.829   0.261
   52    H    LEU   7           HN       LEU   7   3.299  -4.198   0.490
   53    HA   LEU   7           HA       LEU   7   1.159  -4.646   2.406
   54    HB2  LEU   7           HB2      LEU   7   2.192  -2.062   1.235
   55    HB3  LEU   7           HB1      LEU   7   1.052  -2.211   2.558
   56    HG   LEU   7           HG       LEU   7   3.948  -3.059   2.610
   57   HD11  LEU   7          HD11      LEU   7   3.654  -0.649   2.685
   58   HD12  LEU   7          HD12      LEU   7   4.185  -1.265   4.251
   59   HD13  LEU   7          HD13      LEU   7   2.497  -0.820   4.005
   60   HD21  LEU   7          HD21      LEU   7   3.546  -3.467   5.009
   61   HD22  LEU   7          HD22      LEU   7   2.642  -4.565   3.969
   62   HD23  LEU   7          HD23      LEU   7   1.823  -3.207   4.740
   63    H    LYS   8           HN       LYS   8   1.553  -3.068  -0.782
   64    HA   LYS   8           HA       LYS   8  -1.125  -2.506  -1.249
   65    HB2  LYS   8           HB2      LYS   8   0.744  -1.679  -2.659
   66    HB3  LYS   8           HB1      LYS   8   0.931  -3.293  -3.328
   67    HG2  LYS   8           HG2      LYS   8  -1.332  -3.170  -4.246
   68    HG3  LYS   8           HG1      LYS   8  -1.510  -1.549  -3.579
   69    HD2  LYS   8           HD2      LYS   8  -0.957  -1.327  -5.889
   70    HD3  LYS   8           HD1      LYS   8   0.457  -0.850  -4.950
   71    HE2  LYS   8           HE2      LYS   8   1.150  -2.216  -6.813
   72    HE3  LYS   8           HE1      LYS   8   1.415  -3.097  -5.312
   73    HZ1  LYS   8           HZ1      LYS   8  -0.855  -3.482  -7.185
   74    HZ2  LYS   8           HZ2      LYS   8  -0.663  -4.300  -5.723
   75    HZ3  LYS   8           HZ3      LYS   8   0.450  -4.534  -6.972
   76    H    B3K   9           HN       B3K   9   0.739  -5.391  -2.177
   77    HA   B3K   9           HA       B3K   9  -1.843  -6.796  -2.339
   78    HG2  B3K   9           HG1      B3K   9   0.793  -7.543  -3.722
   79    HG3  B3K   9           HG2      B3K   9  -0.500  -6.653  -4.515
   80    HD2  B3K   9           HD1      B3K   9  -1.982  -8.525  -4.344
   81    HD3  B3K   9           HD2      B3K   9  -0.822  -9.412  -3.357
   82    HE2  B3K   9           HE1      B3K   9  -0.797 -10.223  -5.647
   83    HE3  B3K   9           HE2      B3K   9   0.741  -9.467  -5.235
   84    HF1  B3K   9           HF1      B3K   9   0.060  -8.801  -7.457
   85    HF2  B3K   9           HF2      B3K   9   0.025  -7.415  -6.374
   86   HNZ1  B3K   9           HZ1      B3K   9  -1.917  -7.512  -7.829
   87   HNZ2  B3K   9           HZ2      B3K   9  -2.357  -7.620  -6.200
   88    HB1  B3K   9           HB1      B3K   9   0.219  -8.669  -1.796
   89    HB2  B3K   9           HB2      B3K   9   0.512  -7.302  -0.727
   90    H    ARG  10           HN       ARG  10  -0.597  -7.142   1.063
   91    HA   ARG  10           HA       ARG  10  -2.582  -9.191   1.606
   92    HB2  ARG  10           HB2      ARG  10  -1.166  -7.223   3.402
   93    HB3  ARG  10           HB1      ARG  10  -2.371  -8.376   3.964
   94    HG2  ARG  10           HG2      ARG  10  -0.960 -10.226   3.202
   95    HG3  ARG  10           HG1      ARG  10   0.247  -9.068   2.643
   96    HD2  ARG  10           HD2      ARG  10  -0.683  -9.396   5.493
   97    HD3  ARG  10           HD1      ARG  10   0.821 -10.028   4.824
   98    HE   ARG  10           HE       ARG  10   0.291  -7.133   4.776
   99   HH11  ARG  10          HH11      ARG  10   3.488  -8.854   6.486
  100   HH12  ARG  10          HH12      ARG  10   2.220  -9.848   5.853
  101   HH21  ARG  10          HH21      ARG  10   3.339  -6.557   6.345
  102   HH22  ARG  10          HH22      ARG  10   1.946  -5.828   5.612
  103    H    TYR  11           HN       TYR  11  -2.461  -5.789   0.985
  104    HA   TYR  11           HA       TYR  11  -5.127  -5.364   2.087
  105    HB2  TYR  11           HB2      TYR  11  -3.100  -3.512   0.847
  106    HB3  TYR  11           HB1      TYR  11  -4.736  -2.996   1.226
  107    HD1  TYR  11           HD1      TYR  11  -5.457  -3.616   3.748
  108    HD2  TYR  11           HD2      TYR  11  -1.471  -3.035   2.389
  109    HE1  TYR  11           HE1      TYR  11  -4.750  -3.133   6.049
  110    HE2  TYR  11           HE2      TYR  11  -0.751  -2.544   4.688
  111    HH   TYR  11           HH       TYR  11  -1.673  -1.811   6.794
  112    H    AIB  12           HN       AIB  12  -4.553  -7.065  -0.303
  113   HB11  AIB  12          HB11      AIB  12  -5.858  -8.160  -3.443
  114   HB12  AIB  12          HB12      AIB  12  -5.914  -8.673  -1.758
  115   HB13  AIB  12          HB13      AIB  12  -4.379  -8.196  -2.484
  116   HB21  AIB  12          HB21      AIB  12  -3.969  -5.867  -3.092
  117   HB22  AIB  12          HB22      AIB  12  -5.204  -4.641  -2.808
  118   HB23  AIB  12          HB23      AIB  12  -5.457  -5.877  -4.039
  119    H    GLY  13           HN       GLY  13  -7.326  -7.057  -0.143
  120    HA2  GLY  13           HA2      GLY  13  -9.739  -6.781  -1.679
  121    HA3  GLY  13           HA1      GLY  13  -9.629  -7.111   0.039
  122    H    CYS  14           HN       CYS  14  -7.753  -4.481  -0.516
  123    HA   CYS  14           HA       CYS  14  -9.959  -2.615   0.053
  124    HB2  CYS  14           HB2      CYS  14  -7.086  -2.504   1.003
  125    HB3  CYS  14           HB1      CYS  14  -8.329  -1.314   1.369
  126    H    GLU  15           HN       GLU  15  -9.322  -0.300  -0.515
  127    HA   GLU  15           HA       GLU  15  -8.106  -0.255  -3.160
  128    HB2  GLU  15           HB2      GLU  15  -9.295   2.007  -1.536
  129    HB3  GLU  15           HB1      GLU  15  -8.804   2.098  -3.221
  130    HG2  GLU  15           HG2      GLU  15 -10.507   0.343  -3.730
  131    HG3  GLU  15           HG1      GLU  15 -11.066   0.488  -2.065
  132    HN1  MVA  16           HM1      MEV  16  -4.997  -0.146  -4.323
  133    HN2  MVA  16           HM2      MEV  16  -6.631   0.514  -4.402
  134    HN3  MVA  16           HM3      MEV  16  -6.361  -1.104  -3.752
  135    HA   MVA  16           HA       MEV  16  -4.502   1.548  -1.227
  136    HB   MVA  16           HB       MEV  16  -4.556  -0.634  -0.259
  137   HG11  MVA  16          HG11      MEV  16  -3.362  -1.657  -2.826
  138   HG12  MVA  16          HG12      MEV  16  -4.973  -2.006  -2.200
  139   HG13  MVA  16          HG13      MEV  16  -3.548  -2.594  -1.345
  140   HG21  MVA  16          HG21      MEV  16  -2.490   0.669  -0.010
  141   HG22  MVA  16          HG22      MEV  16  -1.827  -0.125  -1.437
  142   HG23  MVA  16          HG23      MEV  16  -2.179  -1.068   0.010
  143    H    ARG  17           HN       ARG  17  -3.094   2.833  -2.012
  144    HA   ARG  17           HA       ARG  17  -1.692   2.099  -4.497
  145    HB2  ARG  17           HB2      ARG  17  -2.504   4.864  -3.587
  146    HB3  ARG  17           HB1      ARG  17  -1.616   4.488  -5.055
  147    HG2  ARG  17           HG2      ARG  17  -3.535   3.274  -5.925
  148    HG3  ARG  17           HG1      ARG  17  -4.429   3.601  -4.439
  149    HD2  ARG  17           HD2      ARG  17  -4.186   6.030  -4.893
  150    HD3  ARG  17           HD1      ARG  17  -3.428   5.634  -6.432
  151    HE   ARG  17           HE       ARG  17  -5.648   4.420  -6.876
  152   HH11  ARG  17          HH11      ARG  17  -5.325   7.329  -4.953
  153   HH12  ARG  17          HH12      ARG  17  -6.913   7.914  -5.336
  154   HH21  ARG  17          HH21      ARG  17  -8.298   6.692  -6.704
  155   HH22  ARG  17          HH22      ARG  17  -7.754   5.184  -7.367
  156    H    CYS  18           HN       CYS  18   0.482   2.227  -4.462
  157    HA   CYS  18           HA       CYS  18   1.737   3.028  -1.957
  158    HB2  CYS  18           HB2      CYS  18   3.768   2.008  -2.863
  159    HB3  CYS  18           HB1      CYS  18   2.413   0.896  -2.998
  160    H    ASP  19           HN       ASP  19   2.926   4.866  -1.724
  161    HA   ASP  19           HA       ASP  19   3.461   6.456  -4.135
  162    HB2  ASP  19           HB2      ASP  19   1.339   7.147  -2.831
  163    HB3  ASP  19           HB1      ASP  19   2.452   7.720  -1.595
  164    HA   DPR  20           HA       DPR  20   7.453   7.291  -2.355
  165    HB2  DPR  20           HB1      DPR  20   8.219   4.519  -3.010
  166    HB3  DPR  20           HB2      DPR  20   8.942   6.043  -3.535
  167    HG2  DPR  20           HG1      DPR  20   7.491   4.551  -5.211
  168    HG3  DPR  20           HG2      DPR  20   7.426   6.322  -5.257
  169    HD2  DPR  20           HD1      DPR  20   5.470   4.383  -4.085
  170    HD3  DPR  20           HD2      DPR  20   5.170   5.878  -4.993
  171    HA   PRO  21           HA       PRO  21   8.012   4.972   1.454
  172    HB2  PRO  21           HB2      PRO  21   8.179   7.081   3.095
  173    HB3  PRO  21           HB1      PRO  21   9.493   6.679   1.981
  174    HG2  PRO  21           HG2      PRO  21   7.347   8.748   1.708
  175    HG3  PRO  21           HG1      PRO  21   9.077   8.881   1.350
  176    HD2  PRO  21           HD2      PRO  21   7.152   8.429  -0.549
  177    HD3  PRO  21           HD1      PRO  21   8.843   7.919  -0.716
  178    H    ARG  22           HN       ARG  22   5.342   6.488   0.288
  179    HA   ARG  22           HA       ARG  22   3.842   6.206   2.801
  180    HB2  ARG  22           HB2      ARG  22   3.243   7.906   0.379
  181    HB3  ARG  22           HB1      ARG  22   2.173   7.735   1.765
  182    HG2  ARG  22           HG2      ARG  22   4.949   8.896   1.789
  183    HG3  ARG  22           HG1      ARG  22   3.435   9.795   1.905
  184    HD2  ARG  22           HD2      ARG  22   2.917   8.622   4.002
  185    HD3  ARG  22           HD1      ARG  22   4.446   7.754   3.883
  186    HE   ARG  22           HE       ARG  22   4.905  10.537   3.782
  187   HH11  ARG  22          HH11      ARG  22   4.669   8.804   7.398
  188   HH12  ARG  22          HH12      ARG  22   4.062   7.969   6.004
  189   HH21  ARG  22          HH21      ARG  22   5.618  10.879   7.173
  190   HH22  ARG  22          HH22      ARG  22   5.727  11.622   5.609
  191    H    TYR  23           HN       TYR  23   1.776   5.278   2.734
  192    HA   TYR  23           HA       TYR  23   1.134   3.691   0.356
  193    HB2  TYR  23           HB2      TYR  23   1.245   2.601   3.178
  194    HB3  TYR  23           HB1      TYR  23   0.699   1.719   1.754
  195    HD1  TYR  23           HD1      TYR  23   3.591   2.933   3.614
  196    HD2  TYR  23           HD2      TYR  23   2.303   1.022   0.042
  197    HE1  TYR  23           HE1      TYR  23   5.894   2.188   3.190
  198    HE2  TYR  23           HE2      TYR  23   4.599   0.272  -0.391
  199    HH   TYR  23           HH       TYR  23   6.898   0.951   0.206
  200    H    GLU  24           HN       GLU  24  -0.801   4.419  -0.203
  201    HA   GLU  24           HA       GLU  24  -2.661   5.329   1.850
  202    HB2  GLU  24           HB2      GLU  24  -2.695   5.548  -1.159
  203    HB3  GLU  24           HB1      GLU  24  -4.004   6.108  -0.131
  204    HG2  GLU  24           HG2      GLU  24  -1.165   7.109  -0.102
  205    HG3  GLU  24           HG1      GLU  24  -2.564   7.946  -0.773
  206    HN1  MVA  25           HM1      MEV  25  -4.691   5.465   2.320
  207    HN2  MVA  25           HM2      MEV  25  -3.673   4.536   3.420
  208    HN3  MVA  25           HM3      MEV  25  -5.415   4.260   3.382
  209    HA   MVA  25           HA       MEV  25  -5.404   1.965   0.734
  210    HB   MVA  25           HB       MEV  25  -3.598   0.795   1.735
  211   HG11  MVA  25          HG11      MEV  25  -3.365   0.516   4.174
  212   HG12  MVA  25          HG12      MEV  25  -4.628   1.725   4.407
  213   HG13  MVA  25          HG13      MEV  25  -3.105   2.177   3.643
  214   HG21  MVA  25          HG21      MEV  25  -4.770  -0.997   2.906
  215   HG22  MVA  25          HG22      MEV  25  -5.682  -0.435   1.506
  216   HG23  MVA  25          HG23      MEV  25  -6.165   0.058   3.127
  217    H    HIS  26           HN       HIS  26  -7.460   2.033   0.736
  218    HA   HIS  26           HA       HIS  26  -8.897   2.832   3.182
  219    HB2  HIS  26           HB2      HIS  26  -9.710   3.037   0.276
  220    HB3  HIS  26           HB1      HIS  26 -10.784   3.382   1.621
  221    HD1  HIS  26           HD1      HIS  26 -10.414   5.588   2.905
  222    HD2  HIS  26           HD2      HIS  26  -7.798   5.013  -0.274
  223    HE1  HIS  26           HE1      HIS  26  -9.323   7.819   2.513
  224    HE2  HIS  26           HE2      HIS  26  -7.858   7.482   0.492
  225    H    CYS  27           HN       CYS  27  -9.784   1.179   4.218
  226    HA   CYS  27           HA       CYS  27 -10.798  -1.096   2.651
  227    HB2  CYS  27           HB2      CYS  27 -10.002  -0.984   5.568
  228    HB3  CYS  27           HB1      CYS  27 -10.622  -2.404   4.735
  229    HN1  NH2  28           HN1      NH2  28 -12.616   0.471   2.306
  230    HN2  NH2  28           HN2      NH2  28 -13.880   0.503   3.482
  Start of MODEL    6
    1    H1   ASN   1           HT1      ASN   1  13.195  -6.819   1.328
    2    H2   ASN   1           HT2      ASN   1  12.857  -7.430   2.866
    3    H3   ASN   1           HT3      ASN   1  12.768  -5.766   2.578
    4    HA   ASN   1           HA       ASN   1  11.017  -7.826   1.376
    5    HB2  ASN   1           HB2      ASN   1  10.377  -5.665   3.398
    6    HB3  ASN   1           HB1      ASN   1   9.241  -6.828   2.731
    7   HD21  ASN   1          HD21      ASN   1   9.974  -6.325   5.498
    8   HD22  ASN   1          HD22      ASN   1  10.565  -7.831   6.116
    9    H    ASP   2           HN       ASP   2   9.557  -7.058  -0.163
   10    HA   ASP   2           HA       ASP   2  10.095  -4.321  -1.097
   11    HB2  ASP   2           HB2      ASP   2   9.132  -6.741  -2.632
   12    HB3  ASP   2           HB1      ASP   2   9.161  -5.112  -3.294
   13    H    B3K   3           HN       B3K   3   8.626  -3.353   0.296
   14    HA   B3K   3           HA       B3K   3   5.816  -4.051  -0.213
   15    HG2  B3K   3           HG1      B3K   3   5.326  -3.007   1.977
   16    HG3  B3K   3           HG2      B3K   3   7.018  -2.581   2.166
   17    HD2  B3K   3           HD1      B3K   3   7.618  -4.941   2.250
   18    HD3  B3K   3           HD2      B3K   3   5.925  -5.384   2.030
   19    HE2  B3K   3           HE1      B3K   3   5.332  -4.349   4.127
   20    HE3  B3K   3           HE2      B3K   3   6.978  -3.753   4.336
   21    HF1  B3K   3           HF1      B3K   3   6.625  -5.715   5.710
   22    HF2  B3K   3           HF2      B3K   3   7.794  -6.067   4.440
   23   HNZ1  B3K   3           HZ1      B3K   3   6.200  -7.861   4.721
   24   HNZ2  B3K   3           HZ2      B3K   3   6.064  -7.173   3.185
   25    HB1  B3K   3           HB1      B3K   3   6.100  -1.270   0.487
   26    HB2  B3K   3           HB2      B3K   3   7.100  -1.641  -0.916
   27    H    CYS   4           HN       CYS   4   6.137  -1.324  -2.751
   28    HA   CYS   4           HA       CYS   4   3.282  -1.136  -2.969
   29    HB2  CYS   4           HB2      CYS   4   5.495  -0.931  -5.011
   30    HB3  CYS   4           HB1      CYS   4   3.793  -0.721  -5.398
   31    H    LYS   5           HN       LYS   5   5.660  -3.588  -3.438
   32    HA   LYS   5           HA       LYS   5   3.975  -5.218  -5.120
   33    HB2  LYS   5           HB2      LYS   5   6.514  -5.902  -3.628
   34    HB3  LYS   5           HB1      LYS   5   5.700  -6.961  -4.768
   35    HG2  LYS   5           HG2      LYS   5   6.080  -5.322  -6.548
   36    HG3  LYS   5           HG1      LYS   5   6.922  -4.284  -5.400
   37    HD2  LYS   5           HD2      LYS   5   8.539  -5.535  -6.685
   38    HD3  LYS   5           HD1      LYS   5   8.558  -6.098  -5.014
   39    HE2  LYS   5           HE2      LYS   5   7.138  -7.993  -5.645
   40    HE3  LYS   5           HE1      LYS   5   7.142  -7.436  -7.315
   41    HZ1  LYS   5           HZ1      LYS   5   9.512  -8.331  -5.767
   42    HZ2  LYS   5           HZ2      LYS   5   9.553  -7.748  -7.351
   43    HZ3  LYS   5           HZ3      LYS   5   8.744  -9.187  -7.004
   44    H    B3E   6           HN       B3E   6   5.479  -6.193  -2.051
   45    HA   B3E   6           HA       B3E   6   2.827  -7.187  -1.221
   46    HG2  B3E   6           HG1      B3E   6   3.974  -9.089  -0.158
   47    HG3  B3E   6           HG2      B3E   6   5.545  -8.414  -0.555
   48    HD2  B3E   6           HD1      B3E   6   5.006  -8.700  -2.956
   49    HD3  B3E   6           HD2      B3E   6   3.509  -9.499  -2.484
   50    HB1  B3E   6           HB1      B3E   6   4.635  -7.064   0.998
   51    HB2  B3E   6           HB2      B3E   6   4.702  -5.522   0.157
   52    H    LEU   7           HN       LEU   7   3.224  -4.070   0.591
   53    HA   LEU   7           HA       LEU   7   1.145  -4.718   2.474
   54    HB2  LEU   7           HB2      LEU   7   1.815  -2.117   1.095
   55    HB3  LEU   7           HB1      LEU   7   0.624  -2.301   2.366
   56    HG   LEU   7           HG       LEU   7   3.583  -2.792   2.673
   57   HD11  LEU   7          HD11      LEU   7   3.552  -0.767   4.044
   58   HD12  LEU   7          HD12      LEU   7   1.855  -0.520   3.631
   59   HD13  LEU   7          HD13      LEU   7   3.091  -0.437   2.374
   60   HD21  LEU   7          HD21      LEU   7   1.341  -2.842   4.682
   61   HD22  LEU   7          HD22      LEU   7   3.057  -2.896   5.079
   62   HD23  LEU   7          HD23      LEU   7   2.324  -4.210   4.163
   63    H    LYS   8           HN       LYS   8   1.349  -3.618  -0.881
   64    HA   LYS   8           HA       LYS   8  -1.299  -3.251  -1.476
   65    HB2  LYS   8           HB2      LYS   8   0.496  -2.780  -3.068
   66    HB3  LYS   8           HB1      LYS   8   0.816  -4.500  -3.235
   67    HG2  LYS   8           HG2      LYS   8  -1.328  -4.853  -4.262
   68    HG3  LYS   8           HG1      LYS   8  -1.776  -3.171  -3.984
   69    HD2  LYS   8           HD2      LYS   8   0.065  -2.458  -5.444
   70    HD3  LYS   8           HD1      LYS   8   0.470  -4.150  -5.740
   71    HE2  LYS   8           HE2      LYS   8  -1.696  -4.518  -6.759
   72    HE3  LYS   8           HE1      LYS   8  -2.176  -2.862  -6.394
   73    HZ1  LYS   8           HZ1      LYS   8  -1.471  -3.117  -8.692
   74    HZ2  LYS   8           HZ2      LYS   8   0.051  -3.648  -8.188
   75    HZ3  LYS   8           HZ3      LYS   8  -0.442  -2.067  -7.859
   76    H    B3K   9           HN       B3K   9   0.430  -6.281  -2.247
   77    HA   B3K   9           HA       B3K   9  -2.135  -7.616  -1.726
   78    HG2  B3K   9           HG1      B3K   9  -1.358  -7.958  -4.029
   79    HG3  B3K   9           HG2      B3K   9  -1.197  -9.477  -3.165
   80    HD2  B3K   9           HD1      B3K   9   1.189  -9.112  -2.910
   81    HD3  B3K   9           HD2      B3K   9   1.049  -7.549  -3.717
   82    HE2  B3K   9           HE1      B3K   9   0.425 -10.236  -4.942
   83    HE3  B3K   9           HE2      B3K   9   1.867  -9.267  -5.252
   84    HF1  B3K   9           HF1      B3K   9   0.477  -7.480  -6.174
   85    HF2  B3K   9           HF2      B3K   9  -0.969  -8.435  -5.855
   86   HNZ1  B3K   9           HZ1      B3K   9  -0.314  -8.630  -8.149
   87   HNZ2  B3K   9           HZ2      B3K   9  -0.134 -10.122  -7.376
   88    HB1  B3K   9           HB1      B3K   9  -0.051  -9.472  -1.190
   89    HB2  B3K   9           HB2      B3K   9   0.375  -7.979  -0.351
   90    H    ARG  10           HN       ARG  10  -0.837  -7.272   1.335
   91    HA   ARG  10           HA       ARG  10  -2.618  -9.254   2.504
   92    HB2  ARG  10           HB2      ARG  10  -1.685  -6.635   3.687
   93    HB3  ARG  10           HB1      ARG  10  -2.467  -7.954   4.539
   94    HG2  ARG  10           HG2      ARG  10  -0.472  -9.373   3.908
   95    HG3  ARG  10           HG1      ARG  10   0.305  -7.875   3.394
   96    HD2  ARG  10           HD2      ARG  10  -0.631  -8.625   6.152
   97    HD3  ARG  10           HD1      ARG  10   1.017  -8.307   5.618
   98    HE   ARG  10           HE       ARG  10  -1.022  -6.175   5.627
   99   HH11  ARG  10          HH11      ARG  10   2.604  -5.938   7.345
  100   HH12  ARG  10          HH12      ARG  10   2.105  -7.417   6.592
  101   HH21  ARG  10          HH21      ARG  10   1.207  -4.123   7.379
  102   HH22  ARG  10          HH22      ARG  10  -0.371  -4.216   6.656
  103    H    TYR  11           HN       TYR  11  -2.688  -5.987   1.222
  104    HA   TYR  11           HA       TYR  11  -5.463  -5.645   2.068
  105    HB2  TYR  11           HB2      TYR  11  -3.597  -3.664   0.745
  106    HB3  TYR  11           HB1      TYR  11  -5.167  -3.308   1.454
  107    HD1  TYR  11           HD1      TYR  11  -5.163  -4.585   4.015
  108    HD2  TYR  11           HD2      TYR  11  -1.939  -2.672   2.007
  109    HE1  TYR  11           HE1      TYR  11  -4.086  -4.136   6.179
  110    HE2  TYR  11           HE2      TYR  11  -0.860  -2.216   4.164
  111    HH   TYR  11           HH       TYR  11  -1.572  -1.963   6.569
  112    H    AIB  12           HN       AIB  12  -4.759  -7.505  -0.020
  113   HB11  AIB  12          HB11      AIB  12  -6.155  -9.199  -1.388
  114   HB12  AIB  12          HB12      AIB  12  -4.504  -8.955  -1.956
  115   HB13  AIB  12          HB13      AIB  12  -5.844  -8.937  -3.104
  116   HB21  AIB  12          HB21      AIB  12  -3.825  -6.784  -2.861
  117   HB22  AIB  12          HB22      AIB  12  -4.953  -5.430  -2.867
  118   HB23  AIB  12          HB23      AIB  12  -5.215  -6.799  -3.946
  119    H    GLY  13           HN       GLY  13  -7.531  -7.238  -0.141
  120    HA2  GLY  13           HA2      GLY  13  -9.696  -6.778  -2.042
  121    HA3  GLY  13           HA1      GLY  13  -9.870  -7.299  -0.377
  122    H    CYS  14           HN       CYS  14  -7.787  -4.630  -0.986
  123    HA   CYS  14           HA       CYS  14  -9.912  -2.713  -0.305
  124    HB2  CYS  14           HB2      CYS  14  -7.146  -2.712   0.926
  125    HB3  CYS  14           HB1      CYS  14  -8.486  -1.650   1.339
  126    H    GLU  15           HN       GLU  15  -9.066  -0.394  -0.678
  127    HA   GLU  15           HA       GLU  15  -7.695  -0.322  -3.232
  128    HB2  GLU  15           HB2      GLU  15  -8.723   1.952  -1.520
  129    HB3  GLU  15           HB1      GLU  15  -8.112   2.103  -3.159
  130    HG2  GLU  15           HG2      GLU  15  -9.972   0.569  -3.872
  131    HG3  GLU  15           HG1      GLU  15 -10.625   0.746  -2.245
  132    HN1  MVA  16           HM1      MEV  16  -4.740   0.485  -4.589
  133    HN2  MVA  16           HM2      MEV  16  -6.440   0.898  -4.376
  134    HN3  MVA  16           HM3      MEV  16  -5.905  -0.770  -4.175
  135    HA   MVA  16           HA       MEV  16  -4.104   1.390  -1.202
  136    HB   MVA  16           HB       MEV  16  -3.846  -0.962  -0.854
  137   HG11  MVA  16          HG11      MEV  16  -2.806  -2.459  -2.443
  138   HG12  MVA  16          HG12      MEV  16  -2.684  -1.157  -3.625
  139   HG13  MVA  16          HG13      MEV  16  -4.268  -1.756  -3.133
  140   HG21  MVA  16          HG21      MEV  16  -1.326   0.251  -1.980
  141   HG22  MVA  16          HG22      MEV  16  -1.402  -1.130  -0.885
  142   HG23  MVA  16          HG23      MEV  16  -1.942   0.460  -0.341
  143    H    ARG  17           HN       ARG  17  -3.111   3.069  -1.777
  144    HA   ARG  17           HA       ARG  17  -1.919   3.253  -4.462
  145    HB2  ARG  17           HB2      ARG  17  -3.262   5.394  -2.802
  146    HB3  ARG  17           HB1      ARG  17  -2.387   5.703  -4.292
  147    HG2  ARG  17           HG2      ARG  17  -3.992   4.670  -5.607
  148    HG3  ARG  17           HG1      ARG  17  -4.656   3.759  -4.251
  149    HD2  ARG  17           HD2      ARG  17  -6.103   5.637  -5.040
  150    HD3  ARG  17           HD1      ARG  17  -5.671   5.718  -3.334
  151    HE   ARG  17           HE       ARG  17  -3.788   7.265  -4.409
  152   HH11  ARG  17          HH11      ARG  17  -7.239   7.169  -5.008
  153   HH12  ARG  17          HH12      ARG  17  -7.355   8.867  -5.332
  154   HH21  ARG  17          HH21      ARG  17  -5.473  10.195  -5.234
  155   HH22  ARG  17          HH22      ARG  17  -3.938   9.499  -4.822
  156    H    CYS  18           HN       CYS  18   0.208   3.014  -4.151
  157    HA   CYS  18           HA       CYS  18   1.395   4.098  -1.713
  158    HB2  CYS  18           HB2      CYS  18   3.317   2.674  -2.223
  159    HB3  CYS  18           HB1      CYS  18   1.824   1.746  -2.182
  160    H    ASP  19           HN       ASP  19   2.735   5.773  -1.710
  161    HA   ASP  19           HA       ASP  19   3.777   6.765  -4.276
  162    HB2  ASP  19           HB2      ASP  19   2.508   8.314  -2.021
  163    HB3  ASP  19           HB1      ASP  19   3.598   9.083  -3.168
  164    HA   DPR  20           HA       DPR  20   7.782   7.035  -2.364
  165    HB2  DPR  20           HB1      DPR  20   8.089   4.162  -2.919
  166    HB3  DPR  20           HB2      DPR  20   9.054   5.527  -3.484
  167    HG2  DPR  20           HG1      DPR  20   7.399   4.205  -5.125
  168    HG3  DPR  20           HG2      DPR  20   7.648   5.956  -5.263
  169    HD2  DPR  20           HD1      DPR  20   5.361   4.452  -4.050
  170    HD3  DPR  20           HD2      DPR  20   5.346   5.925  -5.039
  171    HA   PRO  21           HA       PRO  21   7.947   4.770   1.505
  172    HB2  PRO  21           HB2      PRO  21   8.190   6.911   3.120
  173    HB3  PRO  21           HB1      PRO  21   9.530   6.331   2.125
  174    HG2  PRO  21           HG2      PRO  21   7.646   8.602   1.626
  175    HG3  PRO  21           HG1      PRO  21   9.402   8.534   1.392
  176    HD2  PRO  21           HD2      PRO  21   7.609   8.240  -0.639
  177    HD3  PRO  21           HD1      PRO  21   9.213   7.481  -0.640
  178    H    ARG  22           HN       ARG  22   5.494   6.728   0.321
  179    HA   ARG  22           HA       ARG  22   3.902   6.526   2.780
  180    HB2  ARG  22           HB2      ARG  22   3.400   8.171   0.294
  181    HB3  ARG  22           HB1      ARG  22   2.424   8.196   1.756
  182    HG2  ARG  22           HG2      ARG  22   5.298   9.049   1.519
  183    HG3  ARG  22           HG1      ARG  22   3.898  10.110   1.676
  184    HD2  ARG  22           HD2      ARG  22   3.444   9.261   3.883
  185    HD3  ARG  22           HD1      ARG  22   4.719   8.054   3.722
  186    HE   ARG  22           HE       ARG  22   5.802  10.631   3.354
  187   HH11  ARG  22          HH11      ARG  22   5.439   9.289   7.126
  188   HH12  ARG  22          HH12      ARG  22   4.464   8.602   5.871
  189   HH21  ARG  22          HH21      ARG  22   6.925  10.980   6.637
  190   HH22  ARG  22          HH22      ARG  22   7.075  11.560   5.009
  191    H    TYR  23           HN       TYR  23   2.039   5.372   2.840
  192    HA   TYR  23           HA       TYR  23   1.245   3.992   0.368
  193    HB2  TYR  23           HB2      TYR  23   1.517   2.687   3.082
  194    HB3  TYR  23           HB1      TYR  23   0.973   1.905   1.600
  195    HD1  TYR  23           HD1      TYR  23   3.845   3.068   3.501
  196    HD2  TYR  23           HD2      TYR  23   2.568   1.463  -0.221
  197    HE1  TYR  23           HE1      TYR  23   6.166   2.485   2.964
  198    HE2  TYR  23           HE2      TYR  23   4.887   0.873  -0.771
  199    HH   TYR  23           HH       TYR  23   7.398   0.966   1.549
  200    H    GLU  24           HN       GLU  24  -0.758   4.627  -0.046
  201    HA   GLU  24           HA       GLU  24  -2.598   5.185   2.134
  202    HB2  GLU  24           HB2      GLU  24  -2.803   5.483  -0.853
  203    HB3  GLU  24           HB1      GLU  24  -4.191   5.682   0.201
  204    HG2  GLU  24           HG2      GLU  24  -2.930   7.473   1.391
  205    HG3  GLU  24           HG1      GLU  24  -1.684   7.337   0.150
  206    HN1  MVA  25           HM1      MEV  25  -3.308   4.163   3.721
  207    HN2  MVA  25           HM2      MEV  25  -5.014   3.730   3.839
  208    HN3  MVA  25           HM3      MEV  25  -4.512   5.068   2.806
  209    HA   MVA  25           HA       MEV  25  -4.978   1.622   0.958
  210    HB   MVA  25           HB       MEV  25  -3.292   0.489   2.223
  211   HG11  MVA  25          HG11      MEV  25  -3.137   1.872   4.197
  212   HG12  MVA  25          HG12      MEV  25  -3.419   0.193   4.653
  213   HG13  MVA  25          HG13      MEV  25  -4.742   1.357   4.715
  214   HG21  MVA  25          HG21      MEV  25  -6.051  -0.273   3.160
  215   HG22  MVA  25          HG22      MEV  25  -4.630  -1.319   3.190
  216   HG23  MVA  25          HG23      MEV  25  -5.285  -0.761   1.649
  217    H    HIS  26           HN       HIS  26  -6.934   2.171   0.625
  218    HA   HIS  26           HA       HIS  26  -8.628   2.997   2.880
  219    HB2  HIS  26           HB2      HIS  26  -9.023   3.488  -0.083
  220    HB3  HIS  26           HB1      HIS  26 -10.039   4.103   1.212
  221    HD1  HIS  26           HD1      HIS  26  -8.752   5.820   2.914
  222    HD2  HIS  26           HD2      HIS  26  -6.986   5.157  -0.792
  223    HE1  HIS  26           HE1      HIS  26  -7.122   7.711   2.589
  224    HE2  HIS  26           HE2      HIS  26  -6.041   7.286   0.349
  225    H    CYS  27           HN       CYS  27  -9.923   1.442   3.590
  226    HA   CYS  27           HA       CYS  27 -10.823  -0.590   1.661
  227    HB2  CYS  27           HB2      CYS  27  -8.985  -1.230   3.375
  228    HB3  CYS  27           HB1      CYS  27 -10.295  -1.217   4.548
  229    HN1  NH2  28           HN1      NH2  28 -12.817   0.362   1.384
  230    HN2  NH2  28           HN2      NH2  28 -14.009   0.438   2.631
  Start of MODEL    7
    1    H1   ASN   1           HT1      ASN   1  11.966  -4.444   1.397
    2    H2   ASN   1           HT2      ASN   1  13.546  -3.922   1.104
    3    H3   ASN   1           HT3      ASN   1  13.055  -5.453   0.587
    4    HA   ASN   1           HA       ASN   1  12.069  -2.851  -0.416
    5    HB2  ASN   1           HB2      ASN   1  13.159  -3.439  -2.501
    6    HB3  ASN   1           HB1      ASN   1  14.339  -3.507  -1.198
    7   HD21  ASN   1          HD21      ASN   1  15.185  -5.490  -0.573
    8   HD22  ASN   1          HD22      ASN   1  14.984  -6.920  -1.528
    9    H    ASP   2           HN       ASP   2  11.301  -6.061   0.247
   10    HA   ASP   2           HA       ASP   2   9.592  -6.557  -2.002
   11    HB2  ASP   2           HB2      ASP   2   9.854  -7.927   0.683
   12    HB3  ASP   2           HB1      ASP   2   8.754  -8.466  -0.578
   13    H    B3K   3           HN       B3K   3   9.301  -4.919   1.010
   14    HA   B3K   3           HA       B3K   3   6.380  -4.842   0.731
   15    HG2  B3K   3           HG1      B3K   3   6.389  -3.933   3.046
   16    HG3  B3K   3           HG2      B3K   3   8.146  -3.989   3.058
   17    HD2  B3K   3           HD1      B3K   3   8.083  -6.414   2.855
   18    HD3  B3K   3           HD2      B3K   3   6.319  -6.368   2.811
   19    HE2  B3K   3           HE1      B3K   3   6.267  -5.415   5.045
   20    HE3  B3K   3           HE2      B3K   3   8.032  -5.400   5.095
   21    HF1  B3K   3           HF1      B3K   3   7.140  -7.308   6.313
   22    HF2  B3K   3           HF2      B3K   3   8.065  -7.832   4.908
   23   HNZ1  B3K   3           HZ1      B3K   3   6.029  -9.085   5.105
   24   HNZ2  B3K   3           HZ2      B3K   3   5.976  -8.134   3.711
   25    HB1  B3K   3           HB1      B3K   3   7.390  -2.293   1.637
   26    HB2  B3K   3           HB2      B3K   3   8.099  -2.709   0.077
   27    H    CYS   4           HN       CYS   4   7.033  -1.638  -1.409
   28    HA   CYS   4           HA       CYS   4   4.259  -1.018  -1.220
   29    HB2  CYS   4           HB2      CYS   4   5.922   0.371  -2.483
   30    HB3  CYS   4           HB1      CYS   4   6.035  -0.919  -3.672
   31    H    LYS   5           HN       LYS   5   6.196  -3.386  -2.998
   32    HA   LYS   5           HA       LYS   5   4.269  -4.513  -4.634
   33    HB2  LYS   5           HB2      LYS   5   6.488  -5.980  -3.190
   34    HB3  LYS   5           HB1      LYS   5   5.639  -6.546  -4.619
   35    HG2  LYS   5           HG2      LYS   5   7.352  -4.076  -4.500
   36    HG3  LYS   5           HG1      LYS   5   7.869  -5.643  -5.116
   37    HD2  LYS   5           HD2      LYS   5   6.101  -5.530  -6.824
   38    HD3  LYS   5           HD1      LYS   5   5.637  -3.941  -6.217
   39    HE2  LYS   5           HE2      LYS   5   8.323  -4.676  -7.377
   40    HE3  LYS   5           HE1      LYS   5   7.060  -3.764  -8.200
   41    HZ1  LYS   5           HZ1      LYS   5   8.739  -2.301  -7.294
   42    HZ2  LYS   5           HZ2      LYS   5   8.495  -2.915  -5.741
   43    HZ3  LYS   5           HZ3      LYS   5   7.267  -2.040  -6.509
   44    H    B3E   6           HN       B3E   6   5.365  -6.151  -1.663
   45    HA   B3E   6           HA       B3E   6   2.537  -6.799  -1.187
   46    HG2  B3E   6           HG1      B3E   6   5.008  -8.483  -0.499
   47    HG3  B3E   6           HG2      B3E   6   3.949  -8.789  -1.867
   48    HD2  B3E   6           HD1      B3E   6   2.104  -9.258  -0.360
   49    HD3  B3E   6           HD2      B3E   6   3.130  -8.906   1.027
   50    HB1  B3E   6           HB1      B3E   6   4.000  -7.181   1.212
   51    HB2  B3E   6           HB2      B3E   6   4.563  -5.658   0.538
   52    H    LEU   7           HN       LEU   7   3.354  -3.904   0.685
   53    HA   LEU   7           HA       LEU   7   1.045  -4.112   2.407
   54    HB2  LEU   7           HB2      LEU   7   2.447  -1.682   1.306
   55    HB3  LEU   7           HB1      LEU   7   1.188  -1.669   2.527
   56    HG   LEU   7           HG       LEU   7   3.913  -2.934   2.835
   57   HD11  LEU   7          HD11      LEU   7   4.325  -1.150   4.440
   58   HD12  LEU   7          HD12      LEU   7   2.756  -0.439   4.059
   59   HD13  LEU   7          HD13      LEU   7   4.016  -0.507   2.827
   60   HD21  LEU   7          HD21      LEU   7   2.264  -4.153   4.109
   61   HD22  LEU   7          HD22      LEU   7   1.632  -2.652   4.784
   62   HD23  LEU   7          HD23      LEU   7   3.259  -3.189   5.198
   63    H    LYS   8           HN       LYS   8   1.715  -3.022  -0.940
   64    HA   LYS   8           HA       LYS   8  -0.962  -2.208  -1.415
   65    HB2  LYS   8           HB2      LYS   8   0.909  -1.573  -2.913
   66    HB3  LYS   8           HB1      LYS   8   1.043  -3.251  -3.425
   67    HG2  LYS   8           HG2      LYS   8  -1.337  -3.096  -4.206
   68    HG3  LYS   8           HG1      LYS   8  -1.243  -1.362  -3.905
   69    HD2  LYS   8           HD2      LYS   8   0.496  -2.946  -5.793
   70    HD3  LYS   8           HD1      LYS   8  -0.812  -1.851  -6.247
   71    HE2  LYS   8           HE2      LYS   8   0.434  -0.003  -5.156
   72    HE3  LYS   8           HE1      LYS   8   1.762  -1.122  -4.861
   73    HZ1  LYS   8           HZ1      LYS   8   0.702  -0.336  -7.515
   74    HZ2  LYS   8           HZ2      LYS   8   1.936  -1.462  -7.258
   75    HZ3  LYS   8           HZ3      LYS   8   2.170   0.160  -6.840
   76    H    B3K   9           HN       B3K   9   0.757  -5.129  -2.508
   77    HA   B3K   9           HA       B3K   9  -1.838  -6.527  -2.343
   78    HG2  B3K   9           HG1      B3K   9  -0.947  -8.028  -4.124
   79    HG3  B3K   9           HG2      B3K   9   0.605  -7.205  -4.075
   80    HD2  B3K   9           HD1      B3K   9  -0.521  -5.138  -4.855
   81    HD3  B3K   9           HD2      B3K   9  -2.013  -6.065  -5.025
   82    HE2  B3K   9           HE1      B3K   9  -0.918  -7.550  -6.626
   83    HE3  B3K   9           HE2      B3K   9   0.585  -6.644  -6.445
   84    HF1  B3K   9           HF1      B3K   9  -0.543  -5.949  -8.464
   85    HF2  B3K   9           HF2      B3K   9  -0.551  -4.632  -7.293
   86   HNZ1  B3K   9           HZ1      B3K   9  -2.821  -6.483  -7.753
   87   HNZ2  B3K   9           HZ2      B3K   9  -2.697  -4.935  -8.419
   88    HB1  B3K   9           HB1      B3K   9   0.263  -8.427  -2.129
   89    HB2  B3K   9           HB2      B3K   9   0.688  -7.103  -1.053
   90    H    ARG  10           HN       ARG  10  -0.195  -6.980   0.854
   91    HA   ARG  10           HA       ARG  10  -1.840  -9.140   1.752
   92    HB2  ARG  10           HB2      ARG  10   0.004  -8.028   3.073
   93    HB3  ARG  10           HB1      ARG  10  -1.065  -6.647   3.268
   94    HG2  ARG  10           HG2      ARG  10  -1.171  -7.995   5.239
   95    HG3  ARG  10           HG1      ARG  10  -2.705  -8.133   4.378
   96    HD2  ARG  10           HD2      ARG  10  -1.951 -10.310   5.192
   97    HD3  ARG  10           HD1      ARG  10  -1.992 -10.267   3.431
   98    HE   ARG  10           HE       ARG  10   0.560  -9.719   4.752
   99   HH11  ARG  10          HH11      ARG  10  -0.131 -12.973   2.490
  100   HH12  ARG  10          HH12      ARG  10  -1.452 -11.947   2.942
  101   HH21  ARG  10          HH21      ARG  10   2.001 -12.480   3.175
  102   HH22  ARG  10          HH22      ARG  10   2.306 -11.074   4.145
  103    H    TYR  11           HN       TYR  11  -2.314  -5.718   1.083
  104    HA   TYR  11           HA       TYR  11  -5.026  -5.797   2.130
  105    HB2  TYR  11           HB2      TYR  11  -3.349  -3.560   0.996
  106    HB3  TYR  11           HB1      TYR  11  -5.026  -3.361   1.484
  107    HD1  TYR  11           HD1      TYR  11  -5.626  -3.810   3.920
  108    HD2  TYR  11           HD2      TYR  11  -1.614  -3.413   2.564
  109    HE1  TYR  11           HE1      TYR  11  -4.895  -3.390   6.226
  110    HE2  TYR  11           HE2      TYR  11  -0.870  -2.991   4.868
  111    HH   TYR  11           HH       TYR  11  -2.819  -3.590   7.569
  112    H    AIB  12           HN       AIB  12  -3.945  -7.083  -0.462
  113   HB11  AIB  12          HB11      AIB  12  -4.899  -8.887  -1.999
  114   HB12  AIB  12          HB12      AIB  12  -3.625  -7.942  -2.770
  115   HB13  AIB  12          HB13      AIB  12  -5.135  -8.250  -3.625
  116   HB21  AIB  12          HB21      AIB  12  -3.898  -5.570  -3.155
  117   HB22  AIB  12          HB22      AIB  12  -5.366  -4.733  -2.656
  118   HB23  AIB  12          HB23      AIB  12  -5.415  -5.868  -4.003
  119    H    GLY  13           HN       GLY  13  -7.143  -5.256  -2.880
  120    HA2  GLY  13           HA2      GLY  13  -9.474  -6.197  -3.165
  121    HA3  GLY  13           HA1      GLY  13  -9.264  -6.792  -1.523
  122    H    CYS  14           HN       CYS  14  -7.811  -4.492  -0.622
  123    HA   CYS  14           HA       CYS  14 -10.004  -2.667  -0.126
  124    HB2  CYS  14           HB2      CYS  14  -7.115  -2.594   0.790
  125    HB3  CYS  14           HB1      CYS  14  -8.415  -1.587   1.414
  126    H    GLU  15           HN       GLU  15  -9.487  -0.249  -0.292
  127    HA   GLU  15           HA       GLU  15  -8.397   0.346  -2.900
  128    HB2  GLU  15           HB2      GLU  15  -9.518   2.076  -0.689
  129    HB3  GLU  15           HB1      GLU  15  -8.850   2.744  -2.173
  130    HG2  GLU  15           HG2      GLU  15 -11.124   0.779  -2.085
  131    HG3  GLU  15           HG1      GLU  15 -11.323   2.529  -2.154
  132    HN1  MVA  16           HM1      MEV  16  -5.390   0.567  -4.292
  133    HN2  MVA  16           HM2      MEV  16  -7.008   1.250  -4.114
  134    HN3  MVA  16           HM3      MEV  16  -6.724  -0.456  -3.766
  135    HA   MVA  16           HA       MEV  16  -4.632   1.733  -0.995
  136    HB   MVA  16           HB       MEV  16  -4.487  -0.642  -0.600
  137   HG11  MVA  16          HG11      MEV  16  -4.896  -1.519  -2.823
  138   HG12  MVA  16          HG12      MEV  16  -3.392  -2.166  -2.164
  139   HG13  MVA  16          HG13      MEV  16  -3.347  -0.884  -3.375
  140   HG21  MVA  16          HG21      MEV  16  -2.081  -0.847  -0.510
  141   HG22  MVA  16          HG22      MEV  16  -2.555   0.810  -0.136
  142   HG23  MVA  16          HG23      MEV  16  -1.901   0.418  -1.726
  143    H    ARG  17           HN       ARG  17  -3.795   3.426  -1.753
  144    HA   ARG  17           HA       ARG  17  -2.682   3.475  -4.465
  145    HB2  ARG  17           HB2      ARG  17  -3.384   5.760  -2.611
  146    HB3  ARG  17           HB1      ARG  17  -2.805   5.919  -4.262
  147    HG2  ARG  17           HG2      ARG  17  -4.809   4.935  -5.132
  148    HG3  ARG  17           HG1      ARG  17  -5.372   4.537  -3.509
  149    HD2  ARG  17           HD2      ARG  17  -6.503   6.522  -4.386
  150    HD3  ARG  17           HD1      ARG  17  -5.536   6.904  -2.963
  151    HE   ARG  17           HE       ARG  17  -4.198   7.340  -5.487
  152   HH11  ARG  17          HH11      ARG  17  -6.218   8.729  -2.992
  153   HH12  ARG  17          HH12      ARG  17  -5.778  10.366  -3.367
  154   HH21  ARG  17          HH21      ARG  17  -4.305  10.801  -5.077
  155   HH22  ARG  17          HH22      ARG  17  -3.627   9.494  -5.995
  156    H    CYS  18           HN       CYS  18  -0.640   2.839  -4.362
  157    HA   CYS  18           HA       CYS  18   1.015   3.675  -2.093
  158    HB2  CYS  18           HB2      CYS  18   0.887   1.271  -2.500
  159    HB3  CYS  18           HB1      CYS  18   1.442   1.507  -4.152
  160    H    ASP  19           HN       ASP  19   2.705   4.983  -2.339
  161    HA   ASP  19           HA       ASP  19   3.931   5.329  -4.955
  162    HB2  ASP  19           HB2      ASP  19   2.298   7.175  -4.825
  163    HB3  ASP  19           HB1      ASP  19   3.004   7.685  -3.295
  164    HA   DPR  20           HA       DPR  20   7.809   5.809  -2.913
  165    HB2  DPR  20           HB1      DPR  20   7.838   2.855  -2.805
  166    HB3  DPR  20           HB2      DPR  20   9.011   3.970  -3.509
  167    HG2  DPR  20           HG1      DPR  20   7.371   2.523  -5.046
  168    HG3  DPR  20           HG2      DPR  20   7.825   4.180  -5.481
  169    HD2  DPR  20           HD1      DPR  20   5.274   3.154  -4.315
  170    HD3  DPR  20           HD2      DPR  20   5.538   4.447  -5.502
  171    HA   PRO  21           HA       PRO  21   7.600   4.613   1.371
  172    HB2  PRO  21           HB2      PRO  21   7.689   7.072   2.448
  173    HB3  PRO  21           HB1      PRO  21   9.098   6.345   1.663
  174    HG2  PRO  21           HG2      PRO  21   7.146   8.339   0.574
  175    HG3  PRO  21           HG1      PRO  21   8.914   8.325   0.447
  176    HD2  PRO  21           HD2      PRO  21   7.266   7.462  -1.544
  177    HD3  PRO  21           HD1      PRO  21   8.898   6.824  -1.289
  178    H    ARG  22           HN       ARG  22   5.114   6.086  -0.366
  179    HA   ARG  22           HA       ARG  22   3.431   6.331   2.033
  180    HB2  ARG  22           HB2      ARG  22   3.085   7.472  -0.736
  181    HB3  ARG  22           HB1      ARG  22   1.836   7.534   0.499
  182    HG2  ARG  22           HG2      ARG  22   4.573   8.774   0.672
  183    HG3  ARG  22           HG1      ARG  22   3.050   9.624   0.398
  184    HD2  ARG  22           HD2      ARG  22   3.824   8.074   2.871
  185    HD3  ARG  22           HD1      ARG  22   3.738   9.825   2.721
  186    HE   ARG  22           HE       ARG  22   1.282   8.345   2.185
  187   HH11  ARG  22          HH11      ARG  22   1.794  10.593   5.472
  188   HH12  ARG  22          HH12      ARG  22   3.153  10.259   4.450
  189   HH21  ARG  22          HH21      ARG  22  -0.283   9.764   4.939
  190   HH22  ARG  22          HH22      ARG  22  -0.489   8.782   3.516
  191    H    TYR  23           HN       TYR  23   1.750   5.074   2.369
  192    HA   TYR  23           HA       TYR  23   0.890   3.220   0.255
  193    HB2  TYR  23           HB2      TYR  23   1.134   2.369   3.134
  194    HB3  TYR  23           HB1      TYR  23   0.967   1.358   1.703
  195    HD1  TYR  23           HD1      TYR  23   3.263   3.021   3.932
  196    HD2  TYR  23           HD2      TYR  23   2.914   1.097   0.157
  197    HE1  TYR  23           HE1      TYR  23   5.702   2.750   3.848
  198    HE2  TYR  23           HE2      TYR  23   5.349   0.819   0.065
  199    HH   TYR  23           HH       TYR  23   7.351   1.821   1.004
  200    H    GLU  24           HN       GLU  24  -0.919   4.672   0.027
  201    HA   GLU  24           HA       GLU  24  -2.557   5.226   2.339
  202    HB2  GLU  24           HB2      GLU  24  -3.148   5.746  -0.579
  203    HB3  GLU  24           HB1      GLU  24  -3.998   6.436   0.792
  204    HG2  GLU  24           HG2      GLU  24  -1.189   6.991  -0.111
  205    HG3  GLU  24           HG1      GLU  24  -2.551   8.106  -0.036
  206    HN1  MVA  25           HM1      MEV  25  -3.171   4.084   3.913
  207    HN2  MVA  25           HM2      MEV  25  -4.879   3.756   4.203
  208    HN3  MVA  25           HM3      MEV  25  -4.397   5.168   3.262
  209    HA   MVA  25           HA       MEV  25  -5.345   1.955   1.161
  210    HB   MVA  25           HB       MEV  25  -3.396   0.751   1.911
  211   HG11  MVA  25          HG11      MEV  25  -3.134   0.028   4.240
  212   HG12  MVA  25          HG12      MEV  25  -4.474   1.076   4.705
  213   HG13  MVA  25          HG13      MEV  25  -2.988   1.776   4.063
  214   HG21  MVA  25          HG21      MEV  25  -5.405  -0.503   1.417
  215   HG22  MVA  25          HG22      MEV  25  -5.953  -0.324   3.084
  216   HG23  MVA  25          HG23      MEV  25  -4.510  -1.273   2.728
  217    H    HIS  26           HN       HIS  26  -7.378   1.849   1.351
  218    HA   HIS  26           HA       HIS  26  -8.630   2.164   3.992
  219    HB2  HIS  26           HB2      HIS  26  -9.639   3.261   1.356
  220    HB3  HIS  26           HB1      HIS  26 -10.484   3.363   2.893
  221    HD1  HIS  26           HD1      HIS  26  -9.568   5.069   4.643
  222    HD2  HIS  26           HD2      HIS  26  -7.584   5.110   0.992
  223    HE1  HIS  26           HE1      HIS  26  -8.180   7.163   4.648
  224    HE2  HIS  26           HE2      HIS  26  -7.006   7.181   2.421
  225    H    CYS  27           HN       CYS  27  -9.502   0.275   4.504
  226    HA   CYS  27           HA       CYS  27 -10.488  -1.497   2.409
  227    HB2  CYS  27           HB2      CYS  27 -10.135  -1.917   5.381
  228    HB3  CYS  27           HB1      CYS  27 -10.738  -3.138   4.266
  229    HN1  NH2  28           HN1      NH2  28 -12.304  -0.266   1.827
  230    HN2  NH2  28           HN2      NH2  28 -13.720  -0.228   2.814
  Start of MODEL    8
    1    H1   ASN   1           HT1      ASN   1  13.390  -7.191  -0.736
    2    H2   ASN   1           HT2      ASN   1  14.298  -6.739   0.618
    3    H3   ASN   1           HT3      ASN   1  14.195  -5.708  -0.719
    4    HA   ASN   1           HA       ASN   1  11.942  -6.483   1.033
    5    HB2  ASN   1           HB2      ASN   1  13.546  -3.929   0.825
    6    HB3  ASN   1           HB1      ASN   1  12.005  -4.045   1.664
    7   HD21  ASN   1          HD21      ASN   1  12.861  -3.534   3.643
    8   HD22  ASN   1          HD22      ASN   1  13.884  -4.611   4.529
    9    H    ASP   2           HN       ASP   2  10.145  -6.567  -0.172
   10    HA   ASP   2           HA       ASP   2   9.860  -4.599  -2.344
   11    HB2  ASP   2           HB2      ASP   2   9.214  -7.522  -2.303
   12    HB3  ASP   2           HB1      ASP   2   8.300  -6.439  -3.345
   13    H    B3K   3           HN       B3K   3   8.969  -4.218   0.356
   14    HA   B3K   3           HA       B3K   3   6.071  -4.501   0.046
   15    HG2  B3K   3           HG1      B3K   3   5.989  -3.832   2.482
   16    HG3  B3K   3           HG2      B3K   3   7.746  -3.818   2.491
   17    HD2  B3K   3           HD1      B3K   3   7.827  -6.174   2.052
   18    HD3  B3K   3           HD2      B3K   3   6.077  -6.232   1.829
   19    HE2  B3K   3           HE1      B3K   3   5.770  -5.554   4.169
   20    HE3  B3K   3           HE2      B3K   3   7.520  -5.542   4.384
   21    HF1  B3K   3           HF1      B3K   3   5.880  -7.950   3.610
   22    HF2  B3K   3           HF2      B3K   3   6.480  -7.607   5.232
   23   HNZ1  B3K   3           HZ1      B3K   3   8.738  -7.717   4.377
   24   HNZ2  B3K   3           HZ2      B3K   3   8.158  -8.065   2.828
   25    HB1  B3K   3           HB1      B3K   3   6.679  -1.977   1.301
   26    HB2  B3K   3           HB2      B3K   3   7.454  -2.069  -0.282
   27    H    CYS   4           HN       CYS   4   6.270  -1.310  -1.867
   28    HA   CYS   4           HA       CYS   4   3.455  -0.927  -1.623
   29    HB2  CYS   4           HB2      CYS   4   4.758   0.597  -3.016
   30    HB3  CYS   4           HB1      CYS   4   5.258  -0.734  -4.050
   31    H    LYS   5           HN       LYS   5   5.450  -3.050  -3.685
   32    HA   LYS   5           HA       LYS   5   3.407  -4.375  -4.991
   33    HB2  LYS   5           HB2      LYS   5   6.077  -5.500  -4.131
   34    HB3  LYS   5           HB1      LYS   5   5.014  -6.222  -5.330
   35    HG2  LYS   5           HG2      LYS   5   5.219  -4.102  -6.648
   36    HG3  LYS   5           HG1      LYS   5   6.464  -3.598  -5.506
   37    HD2  LYS   5           HD2      LYS   5   7.806  -5.543  -6.077
   38    HD3  LYS   5           HD1      LYS   5   6.543  -6.113  -7.170
   39    HE2  LYS   5           HE2      LYS   5   8.134  -3.566  -7.442
   40    HE3  LYS   5           HE1      LYS   5   8.317  -5.021  -8.419
   41    HZ1  LYS   5           HZ1      LYS   5   5.867  -3.346  -8.296
   42    HZ2  LYS   5           HZ2      LYS   5   6.092  -4.709  -9.269
   43    HZ3  LYS   5           HZ3      LYS   5   7.006  -3.314  -9.542
   44    H    B3E   6           HN       B3E   6   5.182  -5.681  -2.175
   45    HA   B3E   6           HA       B3E   6   2.678  -7.081  -1.507
   46    HG2  B3E   6           HG1      B3E   6   4.182  -8.768  -0.362
   47    HG3  B3E   6           HG2      B3E   6   5.588  -7.855  -0.893
   48    HD2  B3E   6           HD1      B3E   6   5.004  -8.303  -3.220
   49    HD3  B3E   6           HD2      B3E   6   3.590  -9.213  -2.688
   50    HB1  B3E   6           HB1      B3E   6   4.179  -6.881   0.863
   51    HB2  B3E   6           HB2      B3E   6   4.358  -5.308   0.097
   52    H    LEU   7           HN       LEU   7   2.844  -3.873   0.358
   53    HA   LEU   7           HA       LEU   7   0.556  -4.536   1.952
   54    HB2  LEU   7           HB2      LEU   7   1.285  -1.939   0.603
   55    HB3  LEU   7           HB1      LEU   7   0.047  -2.147   1.825
   56    HG   LEU   7           HG       LEU   7   3.017  -2.512   2.223
   57   HD11  LEU   7          HD11      LEU   7   2.338  -0.186   2.019
   58   HD12  LEU   7          HD12      LEU   7   2.824  -0.568   3.671
   59   HD13  LEU   7          HD13      LEU   7   1.112  -0.427   3.265
   60   HD21  LEU   7          HD21      LEU   7   2.431  -2.765   4.611
   61   HD22  LEU   7          HD22      LEU   7   1.834  -4.088   3.612
   62   HD23  LEU   7          HD23      LEU   7   0.728  -2.828   4.158
   63    H    LYS   8           HN       LYS   8   1.061  -3.420  -1.394
   64    HA   LYS   8           HA       LYS   8  -1.576  -3.202  -2.205
   65    HB2  LYS   8           HB2      LYS   8   0.446  -2.555  -3.529
   66    HB3  LYS   8           HB1      LYS   8   0.700  -4.254  -3.887
   67    HG2  LYS   8           HG2      LYS   8  -1.438  -4.339  -5.046
   68    HG3  LYS   8           HG1      LYS   8  -1.705  -2.631  -4.679
   69    HD2  LYS   8           HD2      LYS   8   0.384  -2.092  -5.901
   70    HD3  LYS   8           HD1      LYS   8   0.527  -3.792  -6.346
   71    HE2  LYS   8           HE2      LYS   8  -1.619  -3.662  -7.512
   72    HE3  LYS   8           HE1      LYS   8  -1.755  -1.962  -7.070
   73    HZ1  LYS   8           HZ1      LYS   8  -0.927  -2.170  -9.307
   74    HZ2  LYS   8           HZ2      LYS   8   0.343  -3.161  -8.792
   75    HZ3  LYS   8           HZ3      LYS   8   0.292  -1.538  -8.318
   76    H    B3K   9           HN       B3K   9   0.557  -6.030  -2.453
   77    HA   B3K   9           HA       B3K   9  -1.885  -7.678  -2.375
   78    HG2  B3K   9           HG1      B3K   9  -0.580  -9.361  -3.752
   79    HG3  B3K   9           HG2      B3K   9   0.783  -8.255  -3.803
   80    HD2  B3K   9           HD1      B3K   9  -0.433  -8.221  -5.895
   81    HD3  B3K   9           HD2      B3K   9  -0.553  -6.658  -5.083
   82    HE2  B3K   9           HE1      B3K   9  -2.774  -7.204  -4.287
   83    HE3  B3K   9           HE2      B3K   9  -2.656  -8.816  -4.993
   84    HF1  B3K   9           HF1      B3K   9  -2.553  -7.878  -7.217
   85    HF2  B3K   9           HF2      B3K   9  -2.538  -6.243  -6.558
   86   HNZ1  B3K   9           HZ1      B3K   9  -4.747  -6.554  -5.721
   87   HNZ2  B3K   9           HZ2      B3K   9  -4.768  -8.171  -6.215
   88    HB1  B3K   9           HB1      B3K   9   0.256  -9.337  -1.667
   89    HB2  B3K   9           HB2      B3K   9   0.669  -7.805  -0.907
   90    H    ARG  10           HN       ARG  10  -0.439  -7.083   0.806
   91    HA   ARG  10           HA       ARG  10  -1.963  -9.079   2.229
   92    HB2  ARG  10           HB2      ARG  10  -1.174  -6.281   3.051
   93    HB3  ARG  10           HB1      ARG  10  -1.864  -7.504   4.106
   94    HG2  ARG  10           HG2      ARG  10   0.821  -7.599   2.751
   95    HG3  ARG  10           HG1      ARG  10   0.499  -7.386   4.472
   96    HD2  ARG  10           HD2      ARG  10  -0.472  -9.614   4.582
   97    HD3  ARG  10           HD1      ARG  10  -0.212  -9.825   2.852
   98    HE   ARG  10           HE       ARG  10   2.215  -9.203   4.197
   99   HH11  ARG  10          HH11      ARG  10   1.142 -13.058   3.794
  100   HH12  ARG  10          HH12      ARG  10  -0.047 -11.808   3.605
  101   HH21  ARG  10          HH21      ARG  10   3.325 -12.501   4.285
  102   HH22  ARG  10          HH22      ARG  10   3.781 -10.835   4.461
  103    H    TYR  11           HN       TYR  11  -2.555  -5.861   0.897
  104    HA   TYR  11           HA       TYR  11  -5.261  -5.830   1.929
  105    HB2  TYR  11           HB2      TYR  11  -3.697  -3.849   0.275
  106    HB3  TYR  11           HB1      TYR  11  -5.331  -3.574   0.852
  107    HD1  TYR  11           HD1      TYR  11  -5.429  -4.292   3.567
  108    HD2  TYR  11           HD2      TYR  11  -2.135  -2.636   1.443
  109    HE1  TYR  11           HE1      TYR  11  -4.529  -3.391   5.670
  110    HE2  TYR  11           HE2      TYR  11  -1.230  -1.734   3.541
  111    HH   TYR  11           HH       TYR  11  -2.301  -2.708   6.573
  112    H    AIB  12           HN       AIB  12  -4.995  -7.932   0.294
  113   HB11  AIB  12          HB11      AIB  12  -6.628  -9.747  -0.574
  114   HB12  AIB  12          HB12      AIB  12  -4.986  -9.825  -1.214
  115   HB13  AIB  12          HB13      AIB  12  -6.365  -9.945  -2.307
  116   HB21  AIB  12          HB21      AIB  12  -4.144  -8.041  -2.644
  117   HB22  AIB  12          HB22      AIB  12  -5.115  -6.601  -2.948
  118   HB23  AIB  12          HB23      AIB  12  -5.580  -8.144  -3.664
  119    H    GLY  13           HN       GLY  13  -7.709  -7.257   0.169
  120    HA2  GLY  13           HA2      GLY  13  -9.794  -6.785  -1.868
  121    HA3  GLY  13           HA1      GLY  13 -10.125  -7.394  -0.256
  122    H    CYS  14           HN       CYS  14  -7.853  -4.801  -0.902
  123    HA   CYS  14           HA       CYS  14  -9.789  -2.808   0.027
  124    HB2  CYS  14           HB2      CYS  14  -8.724  -3.647   2.058
  125    HB3  CYS  14           HB1      CYS  14  -7.137  -3.396   1.353
  126    H    GLU  15           HN       GLU  15  -9.188  -0.624  -0.518
  127    HA   GLU  15           HA       GLU  15  -7.657  -0.481  -2.943
  128    HB2  GLU  15           HB2      GLU  15  -8.944   1.667  -1.248
  129    HB3  GLU  15           HB1      GLU  15  -8.140   1.979  -2.780
  130    HG2  GLU  15           HG2      GLU  15 -10.522   0.183  -2.415
  131    HG3  GLU  15           HG1      GLU  15 -10.582   1.852  -2.976
  132    HN1  MVA  16           HM1      MEV  16  -6.356   0.631  -4.091
  133    HN2  MVA  16           HM2      MEV  16  -5.805  -1.009  -3.745
  134    HN3  MVA  16           HM3      MEV  16  -4.643   0.237  -4.198
  135    HA   MVA  16           HA       MEV  16  -4.153   1.543  -1.004
  136    HB   MVA  16           HB       MEV  16  -4.043  -0.637  -0.058
  137   HG11  MVA  16          HG11      MEV  16  -3.009  -2.538  -1.183
  138   HG12  MVA  16          HG12      MEV  16  -2.854  -1.585  -2.657
  139   HG13  MVA  16          HG13      MEV  16  -4.454  -1.989  -2.032
  140   HG21  MVA  16          HG21      MEV  16  -2.055   0.739   0.180
  141   HG22  MVA  16          HG22      MEV  16  -1.402   0.084  -1.323
  142   HG23  MVA  16          HG23      MEV  16  -1.619  -0.967   0.077
  143    H    ARG  17           HN       ARG  17  -3.144   3.036  -2.003
  144    HA   ARG  17           HA       ARG  17  -1.586   2.389  -4.415
  145    HB2  ARG  17           HB2      ARG  17  -2.683   5.045  -3.470
  146    HB3  ARG  17           HB1      ARG  17  -1.651   4.837  -4.876
  147    HG2  ARG  17           HG2      ARG  17  -3.366   3.394  -5.893
  148    HG3  ARG  17           HG1      ARG  17  -4.407   3.690  -4.498
  149    HD2  ARG  17           HD2      ARG  17  -4.409   6.079  -4.998
  150    HD3  ARG  17           HD1      ARG  17  -3.341   5.802  -6.373
  151    HE   ARG  17           HE       ARG  17  -5.899   4.397  -6.380
  152   HH11  ARG  17          HH11      ARG  17  -3.991   7.096  -7.527
  153   HH12  ARG  17          HH12      ARG  17  -5.033   7.430  -8.870
  154   HH21  ARG  17          HH21      ARG  17  -6.902   6.129  -9.230
  155   HH22  ARG  17          HH22      ARG  17  -7.279   4.828  -8.144
  156    H    CYS  18           HN       CYS  18   0.479   3.643  -4.598
  157    HA   CYS  18           HA       CYS  18   1.658   4.115  -1.957
  158    HB2  CYS  18           HB2      CYS  18   3.621   2.746  -2.583
  159    HB3  CYS  18           HB1      CYS  18   2.134   1.805  -2.493
  160    H    ASP  19           HN       ASP  19   3.052   5.746  -1.868
  161    HA   ASP  19           HA       ASP  19   4.217   6.793  -4.356
  162    HB2  ASP  19           HB2      ASP  19   2.379   8.279  -3.562
  163    HB3  ASP  19           HB1      ASP  19   3.215   8.452  -2.023
  164    HA   DPR  20           HA       DPR  20   8.159   6.766  -2.262
  165    HB2  DPR  20           HB1      DPR  20   8.213   3.876  -2.864
  166    HB3  DPR  20           HB2      DPR  20   9.369   5.139  -3.294
  167    HG2  DPR  20           HG1      DPR  20   7.731   4.070  -5.117
  168    HG3  DPR  20           HG2      DPR  20   8.167   5.786  -5.157
  169    HD2  DPR  20           HD1      DPR  20   5.637   4.491  -4.238
  170    HD3  DPR  20           HD2      DPR  20   5.875   6.018  -5.109
  171    HA   PRO  21           HA       PRO  21   7.784   4.475   1.573
  172    HB2  PRO  21           HB2      PRO  21   8.269   6.506   3.239
  173    HB3  PRO  21           HB1      PRO  21   9.551   5.830   2.225
  174    HG2  PRO  21           HG2      PRO  21   7.924   8.310   1.817
  175    HG3  PRO  21           HG1      PRO  21   9.663   8.063   1.584
  176    HD2  PRO  21           HD2      PRO  21   7.810   8.017  -0.448
  177    HD3  PRO  21           HD1      PRO  21   9.376   7.189  -0.509
  178    H    ARG  22           HN       ARG  22   5.636   6.661   0.248
  179    HA   ARG  22           HA       ARG  22   3.926   6.737   2.636
  180    HB2  ARG  22           HB2      ARG  22   3.561   8.177   0.004
  181    HB3  ARG  22           HB1      ARG  22   2.611   8.418   1.463
  182    HG2  ARG  22           HG2      ARG  22   5.520   9.073   1.075
  183    HG3  ARG  22           HG1      ARG  22   4.180  10.212   1.212
  184    HD2  ARG  22           HD2      ARG  22   3.779   9.514   3.497
  185    HD3  ARG  22           HD1      ARG  22   5.035   8.283   3.365
  186    HE   ARG  22           HE       ARG  22   5.968  10.946   2.821
  187   HH11  ARG  22          HH11      ARG  22   6.479   9.268   6.440
  188   HH12  ARG  22          HH12      ARG  22   5.341   8.580   5.326
  189   HH21  ARG  22          HH21      ARG  22   7.694  11.137   5.841
  190   HH22  ARG  22          HH22      ARG  22   7.471  11.857   4.277
  191    H    TYR  23           HN       TYR  23   1.877   5.871   2.641
  192    HA   TYR  23           HA       TYR  23   1.100   4.293   0.298
  193    HB2  TYR  23           HB2      TYR  23   1.121   3.234   3.128
  194    HB3  TYR  23           HB1      TYR  23   0.578   2.368   1.695
  195    HD1  TYR  23           HD1      TYR  23   3.384   3.220   3.759
  196    HD2  TYR  23           HD2      TYR  23   2.271   1.833  -0.102
  197    HE1  TYR  23           HE1      TYR  23   5.661   2.365   3.417
  198    HE2  TYR  23           HE2      TYR  23   4.543   0.972  -0.451
  199    HH   TYR  23           HH       TYR  23   6.784   0.631   2.056
  200    H    GLU  24           HN       GLU  24  -0.939   4.570  -0.214
  201    HA   GLU  24           HA       GLU  24  -2.780   5.673   1.783
  202    HB2  GLU  24           HB2      GLU  24  -2.684   5.791  -1.211
  203    HB3  GLU  24           HB1      GLU  24  -4.218   5.993  -0.380
  204    HG2  GLU  24           HG2      GLU  24  -1.755   7.670   0.029
  205    HG3  GLU  24           HG1      GLU  24  -3.192   8.134  -0.884
  206    HN1  MVA  25           HM1      MEV  25  -3.496   4.807   3.465
  207    HN2  MVA  25           HM2      MEV  25  -5.201   4.386   3.626
  208    HN3  MVA  25           HM3      MEV  25  -4.701   5.624   2.472
  209    HA   MVA  25           HA       MEV  25  -5.166   2.002   0.976
  210    HB   MVA  25           HB       MEV  25  -3.334   1.087   2.235
  211   HG11  MVA  25          HG11      MEV  25  -3.366   0.932   4.685
  212   HG12  MVA  25          HG12      MEV  25  -4.766   2.005   4.721
  213   HG13  MVA  25          HG13      MEV  25  -3.218   2.596   4.117
  214   HG21  MVA  25          HG21      MEV  25  -5.245  -0.339   1.814
  215   HG22  MVA  25          HG22      MEV  25  -5.993   0.187   3.322
  216   HG23  MVA  25          HG23      MEV  25  -4.497  -0.746   3.358
  217    H    HIS  26           HN       HIS  26  -7.212   2.102   0.799
  218    HA   HIS  26           HA       HIS  26  -8.831   2.983   3.098
  219    HB2  HIS  26           HB2      HIS  26  -9.354   3.564   0.173
  220    HB3  HIS  26           HB1      HIS  26 -10.365   4.067   1.518
  221    HD1  HIS  26           HD1      HIS  26  -9.594   6.104   2.889
  222    HD2  HIS  26           HD2      HIS  26  -6.984   5.063  -0.170
  223    HE1  HIS  26           HE1      HIS  26  -7.979   8.018   2.700
  224    HE2  HIS  26           HE2      HIS  26  -6.303   7.294   0.961
  225    H    CYS  27           HN       CYS  27  -9.955   1.313   3.810
  226    HA   CYS  27           HA       CYS  27 -10.713  -0.800   1.930
  227    HB2  CYS  27           HB2      CYS  27 -10.739  -0.830   4.954
  228    HB3  CYS  27           HB1      CYS  27 -11.004  -2.207   3.893
  229    HN1  NH2  28           HN1      NH2  28 -12.355   0.807   1.186
  230    HN2  NH2  28           HN2      NH2  28 -13.883   0.814   1.991
  Start of MODEL    9
    1    H1   ASN   1           HT1      ASN   1  13.890  -3.447   2.942
    2    H2   ASN   1           HT2      ASN   1  13.006  -2.342   2.017
    3    H3   ASN   1           HT3      ASN   1  14.133  -3.353   1.271
    4    HA   ASN   1           HA       ASN   1  12.836  -5.279   1.771
    5    HB2  ASN   1           HB2      ASN   1  10.962  -3.291   3.074
    6    HB3  ASN   1           HB1      ASN   1  10.556  -4.973   2.753
    7   HD21  ASN   1          HD21      ASN   1  10.734  -3.517   5.279
    8   HD22  ASN   1          HD22      ASN   1  11.875  -4.392   6.241
    9    H    ASP   2           HN       ASP   2  11.016  -5.947   0.427
   10    HA   ASP   2           HA       ASP   2  10.667  -4.082  -1.813
   11    HB2  ASP   2           HB2      ASP   2  10.069  -6.115  -3.123
   12    HB3  ASP   2           HB1      ASP   2  11.693  -6.172  -2.453
   13    H    B3K   3           HN       B3K   3   9.093  -3.789   0.545
   14    HA   B3K   3           HA       B3K   3   6.444  -4.675  -0.384
   15    HG2  B3K   3           HG1      B3K   3   5.661  -4.207   1.895
   16    HG3  B3K   3           HG2      B3K   3   7.226  -3.538   2.327
   17    HD2  B3K   3           HD1      B3K   3   8.252  -5.737   2.045
   18    HD3  B3K   3           HD2      B3K   3   6.680  -6.409   1.607
   19    HE2  B3K   3           HE1      B3K   3   5.795  -5.864   3.794
   20    HE3  B3K   3           HE2      B3K   3   7.311  -5.081   4.239
   21    HF1  B3K   3           HF1      B3K   3   7.155  -7.314   5.206
   22    HF2  B3K   3           HF2      B3K   3   8.484  -7.207   4.054
   23   HNZ1  B3K   3           HZ1      B3K   3   7.205  -9.254   3.801
   24   HNZ2  B3K   3           HZ2      B3K   3   7.129  -8.302   2.408
   25    HB1  B3K   3           HB1      B3K   3   6.352  -2.058   0.871
   26    HB2  B3K   3           HB2      B3K   3   7.416  -2.042  -0.533
   27    H    CYS   4           HN       CYS   4   6.560  -1.879  -2.479
   28    HA   CYS   4           HA       CYS   4   3.733  -1.456  -2.674
   29    HB2  CYS   4           HB2      CYS   4   5.878  -1.403  -4.809
   30    HB3  CYS   4           HB1      CYS   4   4.209  -0.895  -5.033
   31    H    LYS   5           HN       LYS   5   6.017  -3.948  -3.655
   32    HA   LYS   5           HA       LYS   5   4.300  -5.464  -5.275
   33    HB2  LYS   5           HB2      LYS   5   6.523  -6.403  -3.451
   34    HB3  LYS   5           HB1      LYS   5   5.763  -7.378  -4.701
   35    HG2  LYS   5           HG2      LYS   5   6.578  -5.885  -6.415
   36    HG3  LYS   5           HG1      LYS   5   7.260  -4.814  -5.191
   37    HD2  LYS   5           HD2      LYS   5   9.012  -6.187  -6.124
   38    HD3  LYS   5           HD1      LYS   5   8.729  -6.651  -4.449
   39    HE2  LYS   5           HE2      LYS   5   9.029  -8.609  -5.870
   40    HE3  LYS   5           HE1      LYS   5   7.409  -8.559  -5.183
   41    HZ1  LYS   5           HZ1      LYS   5   7.463  -9.169  -7.557
   42    HZ2  LYS   5           HZ2      LYS   5   8.082  -7.638  -7.921
   43    HZ3  LYS   5           HZ3      LYS   5   6.536  -7.788  -7.255
   44    H    B3E   6           HN       B3E   6   5.240  -6.424  -1.982
   45    HA   B3E   6           HA       B3E   6   2.411  -6.796  -1.328
   46    HG2  B3E   6           HG1      B3E   6   2.954  -8.992  -0.246
   47    HG3  B3E   6           HG2      B3E   6   4.570  -8.898  -0.917
   48    HD2  B3E   6           HD1      B3E   6   3.646  -8.967  -3.171
   49    HD3  B3E   6           HD2      B3E   6   2.019  -9.060  -2.496
   50    HB1  B3E   6           HB1      B3E   6   4.223  -7.364   0.854
   51    HB2  B3E   6           HB2      B3E   6   4.600  -5.802   0.129
   52    H    LEU   7           HN       LEU   7   3.516  -4.124   0.828
   53    HA   LEU   7           HA       LEU   7   1.354  -4.516   2.686
   54    HB2  LEU   7           HB2      LEU   7   2.572  -1.970   1.615
   55    HB3  LEU   7           HB1      LEU   7   1.406  -2.063   2.919
   56    HG   LEU   7           HG       LEU   7   4.221  -3.146   2.962
   57   HD11  LEU   7          HD11      LEU   7   4.113  -0.733   3.161
   58   HD12  LEU   7          HD12      LEU   7   4.569  -1.464   4.700
   59   HD13  LEU   7          HD13      LEU   7   2.924  -0.875   4.456
   60   HD21  LEU   7          HD21      LEU   7   3.739  -3.628   5.349
   61   HD22  LEU   7          HD22      LEU   7   2.819  -4.629   4.229
   62   HD23  LEU   7          HD23      LEU   7   2.040  -3.270   5.041
   63    H    LYS   8           HN       LYS   8   1.750  -2.974  -0.502
   64    HA   LYS   8           HA       LYS   8  -0.910  -2.192  -0.825
   65    HB2  LYS   8           HB2      LYS   8   0.990  -1.510  -2.313
   66    HB3  LYS   8           HB1      LYS   8   0.932  -3.114  -3.036
   67    HG2  LYS   8           HG2      LYS   8  -1.388  -2.695  -3.730
   68    HG3  LYS   8           HG1      LYS   8  -1.282  -1.073  -3.051
   69    HD2  LYS   8           HD2      LYS   8  -0.928  -0.920  -5.412
   70    HD3  LYS   8           HD1      LYS   8   0.612  -0.619  -4.606
   71    HE2  LYS   8           HE2      LYS   8   1.318  -2.896  -5.059
   72    HE3  LYS   8           HE1      LYS   8  -0.245  -3.255  -5.792
   73    HZ1  LYS   8           HZ1      LYS   8   1.664  -1.224  -6.806
   74    HZ2  LYS   8           HZ2      LYS   8   0.217  -1.699  -7.535
   75    HZ3  LYS   8           HZ3      LYS   8   1.503  -2.789  -7.424
   76    H    B3K   9           HN       B3K   9   0.669  -5.073  -2.249
   77    HA   B3K   9           HA       B3K   9  -1.979  -6.347  -2.090
   78    HG2  B3K   9           HG1      B3K   9  -1.168  -7.853  -3.920
   79    HG3  B3K   9           HG2      B3K   9   0.397  -7.053  -3.900
   80    HD2  B3K   9           HD1      B3K   9  -0.597  -4.996  -4.680
   81    HD3  B3K   9           HD2      B3K   9  -2.206  -5.711  -4.600
   82    HE2  B3K   9           HE1      B3K   9   0.016  -6.751  -6.348
   83    HE3  B3K   9           HE2      B3K   9  -1.235  -5.635  -6.895
   84    HF1  B3K   9           HF1      B3K   9  -2.946  -7.304  -6.252
   85    HF2  B3K   9           HF2      B3K   9  -1.652  -8.427  -5.841
   86   HNZ1  B3K   9           HZ1      B3K   9  -0.913  -8.390  -8.122
   87   HNZ2  B3K   9           HZ2      B3K   9  -2.097  -7.258  -8.531
   88    HB1  B3K   9           HB1      B3K   9  -0.017  -8.391  -1.975
   89    HB2  B3K   9           HB2      B3K   9   0.502  -7.150  -0.838
   90    H    ARG  10           HN       ARG  10  -0.450  -6.983   1.057
   91    HA   ARG  10           HA       ARG  10  -2.317  -8.992   1.868
   92    HB2  ARG  10           HB2      ARG  10  -1.407  -6.530   3.371
   93    HB3  ARG  10           HB1      ARG  10  -2.203  -7.936   4.060
   94    HG2  ARG  10           HG2      ARG  10  -0.251  -9.311   3.398
   95    HG3  ARG  10           HG1      ARG  10   0.548  -7.837   2.843
   96    HD2  ARG  10           HD2      ARG  10  -0.366  -8.435   5.654
   97    HD3  ARG  10           HD1      ARG  10   1.298  -8.423   5.077
   98    HE   ARG  10           HE       ARG  10   0.496  -5.928   4.500
   99   HH11  ARG  10          HH11      ARG  10   0.275  -6.486   8.476
  100   HH12  ARG  10          HH12      ARG  10   0.240  -7.851   7.407
  101   HH21  ARG  10          HH21      ARG  10   0.441  -4.366   7.635
  102   HH22  ARG  10          HH22      ARG  10   0.542  -4.107   5.924
  103    H    TYR  11           HN       TYR  11  -2.472  -5.552   1.153
  104    HA   TYR  11           HA       TYR  11  -5.267  -5.433   1.949
  105    HB2  TYR  11           HB2      TYR  11  -3.335  -3.305   1.022
  106    HB3  TYR  11           HB1      TYR  11  -5.016  -2.995   1.430
  107    HD1  TYR  11           HD1      TYR  11  -5.750  -3.823   3.815
  108    HD2  TYR  11           HD2      TYR  11  -1.726  -3.045   2.671
  109    HE1  TYR  11           HE1      TYR  11  -5.138  -3.534   6.176
  110    HE2  TYR  11           HE2      TYR  11  -1.105  -2.752   5.031
  111    HH   TYR  11           HH       TYR  11  -3.044  -3.733   7.576
  112    H    AIB  12           HN       AIB  12  -4.377  -6.963  -0.396
  113   HB11  AIB  12          HB11      AIB  12  -3.902  -7.971  -2.622
  114   HB12  AIB  12          HB12      AIB  12  -5.304  -7.988  -3.693
  115   HB13  AIB  12          HB13      AIB  12  -5.454  -8.570  -2.034
  116   HB21  AIB  12          HB21      AIB  12  -4.958  -5.661  -4.166
  117   HB22  AIB  12          HB22      AIB  12  -3.580  -5.587  -3.069
  118   HB23  AIB  12          HB23      AIB  12  -4.923  -4.459  -2.877
  119    H    GLY  13           HN       GLY  13  -7.094  -7.018  -0.467
  120    HA2  GLY  13           HA2      GLY  13  -9.390  -6.747  -2.201
  121    HA3  GLY  13           HA1      GLY  13  -9.407  -7.233  -0.515
  122    H    CYS  14           HN       CYS  14  -7.590  -4.493  -0.727
  123    HA   CYS  14           HA       CYS  14  -9.900  -2.772  -0.097
  124    HB2  CYS  14           HB2      CYS  14  -7.064  -2.429   0.897
  125    HB3  CYS  14           HB1      CYS  14  -8.507  -1.608   1.480
  126    H    GLU  15           HN       GLU  15  -9.240  -0.356  -0.420
  127    HA   GLU  15           HA       GLU  15  -8.048  -0.095  -3.064
  128    HB2  GLU  15           HB2      GLU  15  -9.336   1.973  -1.267
  129    HB3  GLU  15           HB1      GLU  15  -8.760   2.273  -2.900
  130    HG2  GLU  15           HG2      GLU  15 -10.372   0.587  -3.728
  131    HG3  GLU  15           HG1      GLU  15 -11.001   0.440  -2.087
  132    HN1  MVA  16           HM1      MEV  16  -6.323  -0.938  -3.643
  133    HN2  MVA  16           HM2      MEV  16  -4.943   0.022  -4.177
  134    HN3  MVA  16           HM3      MEV  16  -6.570   0.698  -4.255
  135    HA   MVA  16           HA       MEV  16  -4.477   1.664  -1.054
  136    HB   MVA  16           HB       MEV  16  -4.507  -0.551  -0.151
  137   HG11  MVA  16          HG11      MEV  16  -3.262  -1.461  -2.737
  138   HG12  MVA  16          HG12      MEV  16  -4.865  -1.874  -2.134
  139   HG13  MVA  16          HG13      MEV  16  -3.432  -2.448  -1.287
  140   HG21  MVA  16          HG21      MEV  16  -2.138  -0.922   0.159
  141   HG22  MVA  16          HG22      MEV  16  -2.477   0.809   0.143
  142   HG23  MVA  16          HG23      MEV  16  -1.773   0.034  -1.275
  143    H    ARG  17           HN       ARG  17  -3.087   2.979  -1.792
  144    HA   ARG  17           HA       ARG  17  -1.789   2.441  -4.378
  145    HB2  ARG  17           HB2      ARG  17  -2.409   5.092  -3.066
  146    HB3  ARG  17           HB1      ARG  17  -1.571   4.888  -4.593
  147    HG2  ARG  17           HG2      ARG  17  -4.406   4.036  -4.042
  148    HG3  ARG  17           HG1      ARG  17  -3.924   5.509  -4.883
  149    HD2  ARG  17           HD2      ARG  17  -3.325   2.685  -5.760
  150    HD3  ARG  17           HD1      ARG  17  -4.543   3.747  -6.463
  151    HE   ARG  17           HE       ARG  17  -2.270   5.184  -6.727
  152   HH11  ARG  17          HH11      ARG  17  -3.102   1.887  -7.557
  153   HH12  ARG  17          HH12      ARG  17  -2.033   1.830  -8.925
  154   HH21  ARG  17          HH21      ARG  17  -0.767   3.652  -9.478
  155   HH22  ARG  17          HH22      ARG  17  -0.865   5.105  -8.536
  156    H    CYS  18           HN       CYS  18   0.301   2.025  -4.252
  157    HA   CYS  18           HA       CYS  18   1.769   2.770  -1.835
  158    HB2  CYS  18           HB2      CYS  18   1.887   0.425  -2.729
  159    HB3  CYS  18           HB1      CYS  18   2.685   1.068  -4.161
  160    H    ASP  19           HN       ASP  19   2.168   4.956  -2.126
  161    HA   ASP  19           HA       ASP  19   3.607   5.689  -4.585
  162    HB2  ASP  19           HB2      ASP  19   1.363   6.791  -4.147
  163    HB3  ASP  19           HB1      ASP  19   2.119   7.588  -2.771
  164    HA   DPR  20           HA       DPR  20   7.131   7.214  -2.329
  165    HB2  DPR  20           HB1      DPR  20   8.208   4.507  -2.772
  166    HB3  DPR  20           HB2      DPR  20   8.876   6.075  -3.233
  167    HG2  DPR  20           HG1      DPR  20   7.815   4.418  -5.048
  168    HG3  DPR  20           HG2      DPR  20   7.642   6.177  -5.178
  169    HD2  DPR  20           HD1      DPR  20   5.653   4.137  -4.276
  170    HD3  DPR  20           HD2      DPR  20   5.410   5.609  -5.238
  171    HA   PRO  21           HA       PRO  21   7.489   4.911   1.518
  172    HB2  PRO  21           HB2      PRO  21   7.674   7.024   3.141
  173    HB3  PRO  21           HB1      PRO  21   9.009   6.573   2.072
  174    HG2  PRO  21           HG2      PRO  21   6.944   8.712   1.721
  175    HG3  PRO  21           HG1      PRO  21   8.686   8.781   1.409
  176    HD2  PRO  21           HD2      PRO  21   6.780   8.368  -0.532
  177    HD3  PRO  21           HD1      PRO  21   8.466   7.835  -0.660
  178    H    ARG  22           HN       ARG  22   4.913   6.532   0.244
  179    HA   ARG  22           HA       ARG  22   3.359   6.383   2.730
  180    HB2  ARG  22           HB2      ARG  22   2.901   8.054   0.261
  181    HB3  ARG  22           HB1      ARG  22   1.784   7.959   1.618
  182    HG2  ARG  22           HG2      ARG  22   4.635   8.911   1.791
  183    HG3  ARG  22           HG1      ARG  22   3.218   9.956   1.696
  184    HD2  ARG  22           HD2      ARG  22   2.407   9.176   3.799
  185    HD3  ARG  22           HD1      ARG  22   3.620   7.899   3.860
  186    HE   ARG  22           HE       ARG  22   4.907  10.395   3.691
  187   HH11  ARG  22          HH11      ARG  22   3.744   9.187   7.346
  188   HH12  ARG  22          HH12      ARG  22   2.956   8.550   5.938
  189   HH21  ARG  22          HH21      ARG  22   5.442  10.741   7.116
  190   HH22  ARG  22          HH22      ARG  22   5.937  11.255   5.533
  191    H    TYR  23           HN       TYR  23   2.149   4.729   2.905
  192    HA   TYR  23           HA       TYR  23   1.148   3.356   0.524
  193    HB2  TYR  23           HB2      TYR  23   1.219   2.384   3.387
  194    HB3  TYR  23           HB1      TYR  23   0.839   1.426   1.958
  195    HD1  TYR  23           HD1      TYR  23   3.507   2.976   3.919
  196    HD2  TYR  23           HD2      TYR  23   2.594   0.742   0.420
  197    HE1  TYR  23           HE1      TYR  23   5.886   2.431   3.657
  198    HE2  TYR  23           HE2      TYR  23   4.969   0.185   0.148
  199    HH   TYR  23           HH       TYR  23   7.149   1.065   0.795
  200    H    GLU  24           HN       GLU  24  -0.628   4.479  -0.002
  201    HA   GLU  24           HA       GLU  24  -2.518   5.391   1.978
  202    HB2  GLU  24           HB2      GLU  24  -2.616   5.415  -1.043
  203    HB3  GLU  24           HB1      GLU  24  -3.767   6.222   0.007
  204    HG2  GLU  24           HG2      GLU  24  -0.825   6.830  -0.012
  205    HG3  GLU  24           HG1      GLU  24  -2.008   7.692  -0.991
  206    HN1  MVA  25           HM1      MEV  25  -5.187   4.291   3.662
  207    HN2  MVA  25           HM2      MEV  25  -4.517   5.511   2.582
  208    HN3  MVA  25           HM3      MEV  25  -3.448   4.554   3.608
  209    HA   MVA  25           HA       MEV  25  -5.301   2.046   0.936
  210    HB   MVA  25           HB       MEV  25  -3.535   0.832   1.963
  211   HG11  MVA  25          HG11      MEV  25  -4.609   1.742   4.624
  212   HG12  MVA  25          HG12      MEV  25  -3.064   2.190   3.899
  213   HG13  MVA  25          HG13      MEV  25  -3.357   0.522   4.396
  214   HG21  MVA  25          HG21      MEV  25  -6.155   0.144   3.283
  215   HG22  MVA  25          HG22      MEV  25  -4.782  -0.945   3.085
  216   HG23  MVA  25          HG23      MEV  25  -5.643  -0.343   1.667
  217    H    HIS  26           HN       HIS  26  -7.321   2.309   0.872
  218    HA   HIS  26           HA       HIS  26  -8.820   2.875   3.347
  219    HB2  HIS  26           HB2      HIS  26  -9.537   3.465   0.462
  220    HB3  HIS  26           HB1      HIS  26 -10.630   3.687   1.820
  221    HD1  HIS  26           HD1      HIS  26 -10.393   5.815   3.188
  222    HD2  HIS  26           HD2      HIS  26  -7.373   5.331   0.368
  223    HE1  HIS  26           HE1      HIS  26  -9.153   8.002   3.140
  224    HE2  HIS  26           HE2      HIS  26  -7.278   7.659   1.489
  225    H    CYS  27           HN       CYS  27 -10.083   1.253   4.048
  226    HA   CYS  27           HA       CYS  27 -10.793  -0.846   2.126
  227    HB2  CYS  27           HB2      CYS  27  -8.730  -1.330   3.614
  228    HB3  CYS  27           HB1      CYS  27  -9.901  -1.518   4.912
  229    HN1  NH2  28           HN1      NH2  28 -12.888  -0.044   2.105
  230    HN2  NH2  28           HN2      NH2  28 -13.961  -0.220   3.448
  Start of MODEL   10
    1    H1   ASN   1           HT1      ASN   1  13.407  -4.164  -0.988
    2    H2   ASN   1           HT2      ASN   1  14.111  -2.661  -0.662
    3    H3   ASN   1           HT3      ASN   1  13.566  -3.021  -2.223
    4    HA   ASN   1           HA       ASN   1  11.851  -2.787   0.172
    5    HB2  ASN   1           HB2      ASN   1  12.208  -0.899  -2.168
    6    HB3  ASN   1           HB1      ASN   1  10.992  -0.730  -0.907
    7   HD21  ASN   1          HD21      ASN   1  13.093   1.109  -1.654
    8   HD22  ASN   1          HD22      ASN   1  14.076   1.328  -0.245
    9    H    ASP   2           HN       ASP   2  11.113  -4.928  -0.559
   10    HA   ASP   2           HA       ASP   2   9.599  -4.991  -3.033
   11    HB2  ASP   2           HB2      ASP   2   9.185  -7.317  -2.527
   12    HB3  ASP   2           HB1      ASP   2  10.890  -6.975  -2.258
   13    H    B3K   3           HN       B3K   3   9.084  -4.010   0.124
   14    HA   B3K   3           HA       B3K   3   6.197  -4.448  -0.127
   15    HG2  B3K   3           HG1      B3K   3   6.127  -3.854   2.320
   16    HG3  B3K   3           HG2      B3K   3   7.878  -3.699   2.303
   17    HD2  B3K   3           HD1      B3K   3   8.084  -6.065   1.726
   18    HD3  B3K   3           HD2      B3K   3   6.325  -6.218   1.753
   19    HE2  B3K   3           HE1      B3K   3   6.297  -5.571   4.107
   20    HE3  B3K   3           HE2      B3K   3   8.052  -5.398   4.082
   21    HF1  B3K   3           HF1      B3K   3   8.269  -7.776   3.527
   22    HF2  B3K   3           HF2      B3K   3   6.517  -7.943   3.605
   23   HNZ1  B3K   3           HZ1      B3K   3   7.571  -8.658   5.658
   24   HNZ2  B3K   3           HZ2      B3K   3   6.591  -7.308   5.930
   25    HB1  B3K   3           HB1      B3K   3   6.694  -1.940   1.179
   26    HB2  B3K   3           HB2      B3K   3   7.531  -1.954  -0.373
   27    H    CYS   4           HN       CYS   4   6.408  -1.393  -2.073
   28    HA   CYS   4           HA       CYS   4   3.592  -0.982  -1.933
   29    HB2  CYS   4           HB2      CYS   4   5.466  -0.950  -4.310
   30    HB3  CYS   4           HB1      CYS   4   3.783  -0.437  -4.346
   31    H    LYS   5           HN       LYS   5   5.677  -3.298  -3.661
   32    HA   LYS   5           HA       LYS   5   3.695  -4.679  -5.036
   33    HB2  LYS   5           HB2      LYS   5   6.260  -5.812  -3.901
   34    HB3  LYS   5           HB1      LYS   5   5.293  -6.534  -5.179
   35    HG2  LYS   5           HG2      LYS   5   5.780  -4.674  -6.645
   36    HG3  LYS   5           HG1      LYS   5   6.669  -3.862  -5.356
   37    HD2  LYS   5           HD2      LYS   5   8.205  -5.833  -5.284
   38    HD3  LYS   5           HD1      LYS   5   7.380  -6.457  -6.713
   39    HE2  LYS   5           HE2      LYS   5   8.780  -3.793  -6.545
   40    HE3  LYS   5           HE1      LYS   5   9.476  -5.253  -7.241
   41    HZ1  LYS   5           HZ1      LYS   5   7.036  -3.871  -8.219
   42    HZ2  LYS   5           HZ2      LYS   5   7.719  -5.264  -8.892
   43    HZ3  LYS   5           HZ3      LYS   5   8.565  -3.802  -8.938
   44    H    B3E   6           HN       B3E   6   5.341  -5.976  -2.135
   45    HA   B3E   6           HA       B3E   6   2.712  -7.081  -1.390
   46    HG2  B3E   6           HG1      B3E   6   3.984  -8.912  -0.242
   47    HG3  B3E   6           HG2      B3E   6   5.502  -8.181  -0.739
   48    HD2  B3E   6           HD1      B3E   6   5.079  -8.674  -3.028
   49    HD3  B3E   6           HD2      B3E   6   3.430  -9.182  -2.670
   50    HB1  B3E   6           HB1      B3E   6   4.316  -6.978   0.933
   51    HB2  B3E   6           HB2      B3E   6   4.571  -5.439   0.121
   52    H    LEU   7           HN       LEU   7   3.161  -3.892   0.413
   53    HA   LEU   7           HA       LEU   7   0.936  -4.431   2.142
   54    HB2  LEU   7           HB2      LEU   7   1.863  -1.851   0.890
   55    HB3  LEU   7           HB1      LEU   7   0.597  -1.989   2.096
   56    HG   LEU   7           HG       LEU   7   3.516  -2.649   2.492
   57   HD11  LEU   7          HD11      LEU   7   3.469  -0.790   4.068
   58   HD12  LEU   7          HD12      LEU   7   1.789  -0.468   3.637
   59   HD13  LEU   7          HD13      LEU   7   3.064  -0.269   2.432
   60   HD21  LEU   7          HD21      LEU   7   2.214  -4.196   3.790
   61   HD22  LEU   7          HD22      LEU   7   1.183  -2.895   4.382
   62   HD23  LEU   7          HD23      LEU   7   2.875  -2.967   4.868
   63    H    LYS   8           HN       LYS   8   1.329  -3.356  -1.263
   64    HA   LYS   8           HA       LYS   8  -1.421  -3.048  -1.740
   65    HB2  LYS   8           HB2      LYS   8   0.266  -2.265  -3.351
   66    HB3  LYS   8           HB1      LYS   8   0.701  -3.930  -3.710
   67    HG2  LYS   8           HG2      LYS   8  -1.454  -4.352  -4.665
   68    HG3  LYS   8           HG1      LYS   8  -2.037  -2.768  -4.155
   69    HD2  LYS   8           HD2      LYS   8  -1.510  -2.705  -6.506
   70    HD3  LYS   8           HD1      LYS   8  -0.349  -1.715  -5.623
   71    HE2  LYS   8           HE2      LYS   8   1.289  -3.507  -5.731
   72    HE3  LYS   8           HE1      LYS   8   0.124  -4.544  -6.555
   73    HZ1  LYS   8           HZ1      LYS   8   0.086  -2.968  -8.392
   74    HZ2  LYS   8           HZ2      LYS   8   1.652  -3.539  -8.118
   75    HZ3  LYS   8           HZ3      LYS   8   1.218  -1.990  -7.603
   76    H    B3K   9           HN       B3K   9   0.678  -5.856  -2.457
   77    HA   B3K   9           HA       B3K   9  -1.770  -7.486  -2.308
   78    HG2  B3K   9           HG1      B3K   9  -0.324  -9.234  -3.473
   79    HG3  B3K   9           HG2      B3K   9   1.008  -8.090  -3.492
   80    HD2  B3K   9           HD1      B3K   9  -0.338  -6.589  -4.917
   81    HD3  B3K   9           HD2      B3K   9  -1.612  -7.811  -4.951
   82    HE2  B3K   9           HE1      B3K   9   1.215  -8.185  -5.942
   83    HE3  B3K   9           HE2      B3K   9  -0.204  -7.924  -6.955
   84    HF1  B3K   9           HF1      B3K   9  -1.176 -10.004  -6.219
   85    HF2  B3K   9           HF2      B3K   9   0.132 -10.247  -5.063
   86   HNZ1  B3K   9           HZ1      B3K   9   0.463 -11.574  -7.036
   87   HNZ2  B3K   9           HZ2      B3K   9   1.684 -10.410  -6.906
   88    HB1  B3K   9           HB1      B3K   9   0.261  -9.148  -1.366
   89    HB2  B3K   9           HB2      B3K   9   0.662  -7.598  -0.638
   90    H    ARG  10           HN       ARG  10  -0.361  -6.955   1.085
   91    HA   ARG  10           HA       ARG  10  -2.177  -8.817   2.333
   92    HB2  ARG  10           HB2      ARG  10  -1.059  -6.193   3.330
   93    HB3  ARG  10           HB1      ARG  10  -1.967  -7.344   4.297
   94    HG2  ARG  10           HG2      ARG  10  -0.212  -9.012   3.968
   95    HG3  ARG  10           HG1      ARG  10   0.700  -7.853   2.999
   96    HD2  ARG  10           HD2      ARG  10   0.774  -6.341   4.962
   97    HD3  ARG  10           HD1      ARG  10  -0.027  -7.591   5.914
   98    HE   ARG  10           HE       ARG  10   2.262  -8.691   4.712
   99   HH11  ARG  10          HH11      ARG  10   2.860  -6.643   8.116
  100   HH12  ARG  10          HH12      ARG  10   1.398  -6.394   7.217
  101   HH21  ARG  10          HH21      ARG  10   4.435  -8.141   7.373
  102   HH22  ARG  10          HH22      ARG  10   4.164  -9.036   5.911
  103    H    TYR  11           HN       TYR  11  -2.448  -5.757   0.702
  104    HA   TYR  11           HA       TYR  11  -5.157  -5.401   1.779
  105    HB2  TYR  11           HB2      TYR  11  -3.290  -3.429   0.460
  106    HB3  TYR  11           HB1      TYR  11  -4.941  -3.057   0.934
  107    HD1  TYR  11           HD1      TYR  11  -5.357  -3.998   3.528
  108    HD2  TYR  11           HD2      TYR  11  -1.724  -2.521   1.882
  109    HE1  TYR  11           HE1      TYR  11  -4.581  -3.402   5.782
  110    HE2  TYR  11           HE2      TYR  11  -0.944  -1.922   4.132
  111    HH   TYR  11           HH       TYR  11  -1.980  -1.379   6.360
  112    H    AIB  12           HN       AIB  12  -4.525  -7.287  -0.307
  113   HB11  AIB  12          HB11      AIB  12  -4.415  -8.808  -2.204
  114   HB12  AIB  12          HB12      AIB  12  -5.836  -8.829  -3.248
  115   HB13  AIB  12          HB13      AIB  12  -6.019  -9.029  -1.506
  116   HB21  AIB  12          HB21      AIB  12  -3.796  -6.664  -3.216
  117   HB22  AIB  12          HB22      AIB  12  -4.931  -5.315  -3.207
  118   HB23  AIB  12          HB23      AIB  12  -5.250  -6.728  -4.210
  119    H    GLY  13           HN       GLY  13  -7.332  -7.070  -0.263
  120    HA2  GLY  13           HA2      GLY  13  -9.593  -6.610  -2.066
  121    HA3  GLY  13           HA1      GLY  13  -9.691  -7.211  -0.421
  122    H    CYS  14           HN       CYS  14  -7.671  -4.484  -0.990
  123    HA   CYS  14           HA       CYS  14  -9.798  -2.666  -0.074
  124    HB2  CYS  14           HB2      CYS  14  -6.928  -2.698   0.882
  125    HB3  CYS  14           HB1      CYS  14  -8.155  -1.538   1.368
  126    H    GLU  15           HN       GLU  15  -9.346  -0.379  -0.599
  127    HA   GLU  15           HA       GLU  15  -7.988  -0.038  -3.111
  128    HB2  GLU  15           HB2      GLU  15  -9.178   1.971  -1.187
  129    HB3  GLU  15           HB1      GLU  15  -8.473   2.397  -2.740
  130    HG2  GLU  15           HG2      GLU  15 -10.883   0.664  -2.272
  131    HG3  GLU  15           HG1      GLU  15 -10.866   2.301  -2.921
  132    HN1  MVA  16           HM1      MEV  16  -4.978   0.497  -4.403
  133    HN2  MVA  16           HM2      MEV  16  -6.654   1.021  -4.245
  134    HN3  MVA  16           HM3      MEV  16  -6.224  -0.667  -3.960
  135    HA   MVA  16           HA       MEV  16  -4.357   1.519  -1.040
  136    HB   MVA  16           HB       MEV  16  -4.254  -0.841  -0.609
  137   HG11  MVA  16          HG11      MEV  16  -3.031  -1.170  -3.341
  138   HG12  MVA  16          HG12      MEV  16  -4.642  -1.700  -2.859
  139   HG13  MVA  16          HG13      MEV  16  -3.218  -2.432  -2.124
  140   HG21  MVA  16          HG21      MEV  16  -2.291   0.492  -0.073
  141   HG22  MVA  16          HG22      MEV  16  -1.631   0.192  -1.682
  142   HG23  MVA  16          HG23      MEV  16  -1.824  -1.144  -0.546
  143    H    ARG  17           HN       ARG  17  -3.143   3.080  -1.631
  144    HA   ARG  17           HA       ARG  17  -1.968   3.047  -4.335
  145    HB2  ARG  17           HB2      ARG  17  -2.573   5.521  -2.719
  146    HB3  ARG  17           HB1      ARG  17  -2.125   5.429  -4.411
  147    HG2  ARG  17           HG2      ARG  17  -4.710   4.468  -3.212
  148    HG3  ARG  17           HG1      ARG  17  -4.481   5.946  -4.144
  149    HD2  ARG  17           HD2      ARG  17  -4.069   3.131  -5.145
  150    HD3  ARG  17           HD1      ARG  17  -5.445   4.167  -5.511
  151    HE   ARG  17           HE       ARG  17  -2.843   5.228  -6.238
  152   HH11  ARG  17          HH11      ARG  17  -5.709   3.491  -7.263
  153   HH12  ARG  17          HH12      ARG  17  -5.428   3.777  -8.950
  154   HH21  ARG  17          HH21      ARG  17  -3.579   4.973  -9.624
  155   HH22  ARG  17          HH22      ARG  17  -2.467   5.592  -8.444
  156    H    CYS  18           HN       CYS  18   0.057   2.320  -3.967
  157    HA   CYS  18           HA       CYS  18   1.567   3.482  -1.745
  158    HB2  CYS  18           HB2      CYS  18   1.565   1.008  -2.017
  159    HB3  CYS  18           HB1      CYS  18   2.356   1.215  -3.578
  160    H    ASP  19           HN       ASP  19   2.844   5.124  -2.114
  161    HA   ASP  19           HA       ASP  19   4.265   5.278  -4.673
  162    HB2  ASP  19           HB2      ASP  19   2.305   6.897  -4.588
  163    HB3  ASP  19           HB1      ASP  19   3.159   7.721  -3.286
  164    HA   DPR  20           HA       DPR  20   7.952   6.319  -2.423
  165    HB2  DPR  20           HB1      DPR  20   8.256   3.386  -2.219
  166    HB3  DPR  20           HB2      DPR  20   9.372   4.594  -2.860
  167    HG2  DPR  20           HG1      DPR  20   8.020   2.969  -4.487
  168    HG3  DPR  20           HG2      DPR  20   8.322   4.661  -4.919
  169    HD2  DPR  20           HD1      DPR  20   5.819   3.379  -3.910
  170    HD3  DPR  20           HD2      DPR  20   6.028   4.662  -5.120
  171    HA   PRO  21           HA       PRO  21   7.549   5.172   1.884
  172    HB2  PRO  21           HB2      PRO  21   7.513   7.672   2.879
  173    HB3  PRO  21           HB1      PRO  21   8.993   6.921   2.274
  174    HG2  PRO  21           HG2      PRO  21   7.171   8.873   0.921
  175    HG3  PRO  21           HG1      PRO  21   8.943   8.842   0.965
  176    HD2  PRO  21           HD2      PRO  21   7.490   7.918  -1.143
  177    HD3  PRO  21           HD1      PRO  21   9.079   7.272  -0.703
  178    H    ARG  22           HN       ARG  22   5.239   6.777  -0.059
  179    HA   ARG  22           HA       ARG  22   3.378   7.144   2.163
  180    HB2  ARG  22           HB2      ARG  22   3.237   7.908  -0.748
  181    HB3  ARG  22           HB1      ARG  22   1.872   8.073   0.345
  182    HG2  ARG  22           HG2      ARG  22   4.549   9.409   0.683
  183    HG3  ARG  22           HG1      ARG  22   3.091  10.175   0.052
  184    HD2  ARG  22           HD2      ARG  22   3.438   9.016   2.818
  185    HD3  ARG  22           HD1      ARG  22   3.432  10.728   2.407
  186    HE   ARG  22           HE       ARG  22   1.043   9.852   1.464
  187   HH11  ARG  22          HH11      ARG  22   1.158   9.618   5.474
  188   HH12  ARG  22          HH12      ARG  22   2.639   9.676   4.575
  189   HH21  ARG  22          HH21      ARG  22  -0.865   9.684   4.381
  190   HH22  ARG  22          HH22      ARG  22  -0.913   9.789   2.651
  191    H    TYR  23           HN       TYR  23   1.972   5.678   2.714
  192    HA   TYR  23           HA       TYR  23   1.252   3.594   0.760
  193    HB2  TYR  23           HB2      TYR  23   1.534   3.261   3.753
  194    HB3  TYR  23           HB1      TYR  23   1.153   1.997   2.590
  195    HD1  TYR  23           HD1      TYR  23   3.722   3.543   4.430
  196    HD2  TYR  23           HD2      TYR  23   2.955   1.626   0.717
  197    HE1  TYR  23           HE1      TYR  23   6.120   3.085   4.183
  198    HE2  TYR  23           HE2      TYR  23   5.352   1.155   0.456
  199    HH   TYR  23           HH       TYR  23   7.584   1.527   3.006
  200    H    GLU  24           HN       GLU  24  -0.689   4.456   0.134
  201    HA   GLU  24           HA       GLU  24  -2.582   5.319   2.178
  202    HB2  GLU  24           HB2      GLU  24  -2.699   5.415  -0.832
  203    HB3  GLU  24           HB1      GLU  24  -3.957   6.026   0.226
  204    HG2  GLU  24           HG2      GLU  24  -2.373   7.631   1.175
  205    HG3  GLU  24           HG1      GLU  24  -1.121   7.020   0.091
  206    HN1  MVA  25           HM1      MEV  25  -5.402   4.293   3.643
  207    HN2  MVA  25           HM2      MEV  25  -4.633   5.466   2.574
  208    HN3  MVA  25           HM3      MEV  25  -3.664   4.560   3.736
  209    HA   MVA  25           HA       MEV  25  -5.319   1.944   1.036
  210    HB   MVA  25           HB       MEV  25  -3.532   0.828   2.186
  211   HG11  MVA  25          HG11      MEV  25  -4.885   1.640   4.753
  212   HG12  MVA  25          HG12      MEV  25  -3.316   2.199   4.168
  213   HG13  MVA  25          HG13      MEV  25  -3.539   0.507   4.618
  214   HG21  MVA  25          HG21      MEV  25  -5.537  -0.448   1.697
  215   HG22  MVA  25          HG22      MEV  25  -6.227   0.009   3.253
  216   HG23  MVA  25          HG23      MEV  25  -4.792  -1.013   3.193
  217    H    HIS  26           HN       HIS  26  -7.376   1.880   0.988
  218    HA   HIS  26           HA       HIS  26  -8.949   2.546   3.387
  219    HB2  HIS  26           HB2      HIS  26  -9.608   3.220   0.509
  220    HB3  HIS  26           HB1      HIS  26 -10.684   3.474   1.875
  221    HD1  HIS  26           HD1      HIS  26 -10.250   5.512   3.364
  222    HD2  HIS  26           HD2      HIS  26  -7.465   5.054   0.315
  223    HE1  HIS  26           HE1      HIS  26  -8.949   7.658   3.305
  224    HE2  HIS  26           HE2      HIS  26  -7.176   7.301   1.558
  225    H    CYS  27           HN       CYS  27  -9.786   0.660   4.055
  226    HA   CYS  27           HA       CYS  27 -10.504  -1.379   2.099
  227    HB2  CYS  27           HB2      CYS  27 -10.434  -1.454   5.120
  228    HB3  CYS  27           HB1      CYS  27 -10.866  -2.816   4.095
  229    HN1  NH2  28           HN1      NH2  28 -12.269  -0.145   1.258
  230    HN2  NH2  28           HN2      NH2  28 -13.791  -0.138   2.080