*HEADER    DE NOVO PROTEIN                         20-JUL-18   6E5I              
*TITLE     HETEROGENEOUS-BACKBONE MIMICS OF A DESIGNED DISULFIDE-RICH PROTEIN:   
*TITLE    2 ORN TURN                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED PEPTIDE NC_HEE_D1: ORN TURN MUTANT;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    HETEROGENEOUS BACKBONE FOLDAMER, DE NOVO PROTEIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    C.C.CABALTEJA,D.S.MIHALKO,W.S.HORNE                                   
*REVDAT   1   21-NOV-18 6E5I    0                                                
# Restraints file 1: ambig.tbl
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    9 and name   HN) 2.131 0.568 0.568 weight 1.000 ! spec=NOESY, no=23, id=20, vol=1.500000e+09
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.234 0.624 0.624 weight 1.000 ! spec=NOESY, no=30, id=27, vol=1.130000e+09
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name   HN) 2.319 0.672 0.672 weight 1.000 ! spec=NOESY, no=42, id=39, vol=9.030000e+08
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HD2) 2.335 0.682 0.682 weight 1.000 ! spec=NOESY, no=47, id=44, vol=8.660000e+08
    or (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HD2)
    or (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name  HD1)
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HD1) 2.341 0.685 0.685 weight 1.000 ! spec=NOESY, no=48, id=45, vol=8.540000e+08
    or (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HD1)
assign (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name   HA) 2.387 0.712 0.712 weight 1.000 ! spec=NOESY, no=57, id=54, vol=7.600000e+08
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name   HA) 2.396 0.718 0.718 weight 1.000 ! spec=NOESY, no=60, id=57, vol=7.420000e+08
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB1) 2.470 0.762 0.762 weight 1.000 ! spec=NOESY, no=76, id=73, vol=6.190000e+08
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HG1)
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HN) 2.482 0.770 0.770 weight 1.000 ! spec=NOESY, no=81, id=78, vol=6.010000e+08
    or (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 2.494 0.777 0.777 weight 1.000 ! spec=NOESY, no=85, id=82, vol=5.840000e+08
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   13 and name   HN) 2.587 0.836 0.836 weight 1.000 ! spec=NOESY, no=111, id=108, vol=4.690000e+08
    or (segid "    " and resid   12 and name  HB2) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name   HN) 2.608 0.850 0.850 weight 1.000 ! spec=NOESY, no=118, id=115, vol=4.460000e+08
    or (segid "    " and resid   16 and name  HB2) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN) 2.637 0.869 0.869 weight 1.000 ! spec=NOESY, no=126, id=123, vol=4.180000e+08
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name   HN) 2.663 0.886 0.886 weight 1.000 ! spec=NOESY, no=138, id=135, vol=3.940000e+08
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   24 and name HG12) 2.671 0.892 0.892 weight 1.000 ! spec=NOESY, no=143, id=140, vol=3.870000e+08
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   24 and name HG11)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   24 and name HG13)
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   24 and name HG12)
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   24 and name HG11)
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   24 and name HG13)
assign (segid "    " and resid    5 and name  HD2) (segid "    " and resid    5 and name   HA) 2.692 0.906 0.906 weight 1.000 ! spec=NOESY, no=150, id=147, vol=3.690000e+08
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid    5 and name   HA)
    or (segid "    " and resid    8 and name  HD2) (segid "    " and resid    5 and name   HA)
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HB) 2.701 0.912 0.912 weight 1.000 ! spec=NOESY, no=152, id=149, vol=3.620000e+08
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   15 and name HG12) 2.703 0.913 0.913 weight 1.000 ! spec=NOESY, no=153, id=150, vol=3.600000e+08
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid   24 and name HG12) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid   24 and name HG12) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   24 and name HG12) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid   24 and name HG12) (segid "    " and resid   25 and name   HN) 2.754 0.948 0.948 weight 1.000 ! spec=NOESY, no=175, id=172, vol=3.220000e+08
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   25 and name   HN)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   25 and name   HN)
    or (segid "    " and resid   24 and name HG12) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   26 and name   HN)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HN) 2.788 0.972 0.972 weight 1.000 ! spec=NOESY, no=185, id=182, vol=2.990000e+08
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid    8 and name  HD2) (segid "    " and resid    9 and name   HN) 2.843 1.010 1.010 weight 1.000 ! spec=NOESY, no=202, id=199, vol=2.660000e+08
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name  HD2) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name  HD1) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   15 and name HG12) 2.908 1.057 1.057 weight 1.000 ! spec=NOESY, no=221, id=218, vol=2.320000e+08
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   16 and name   HN) 2.967 1.100 1.100 weight 1.000 ! spec=NOESY, no=236, id=233, vol=2.060000e+08
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name  HD2) 2.971 1.104 1.104 weight 1.000 ! spec=NOESY, no=238, id=235, vol=2.040000e+08
    or (segid "    " and resid   26 and name  HB2) (segid "    " and resid   27 and name  HN1)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    9 and name   HN) 2.971 1.104 1.104 weight 1.000 ! spec=NOESY, no=239, id=236, vol=2.040000e+08
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   15 and name   HN) 2.976 1.107 1.107 weight 1.000 ! spec=NOESY, no=242, id=239, vol=2.020000e+08
    or (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name  HZ2) 3.004 1.128 1.128 weight 1.000 ! spec=NOESY, no=251, id=248, vol=1.910000e+08
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name  HZ1)
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name  HZ3)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HZ2)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HZ1)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HZ3)
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   15 and name HG22) 3.015 1.136 1.136 weight 1.000 ! spec=NOESY, no=256, id=253, vol=1.870000e+08
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   15 and name HG23)
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name   HN) 3.023 1.142 1.142 weight 1.000 ! spec=NOESY, no=259, id=256, vol=1.840000e+08
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    5 and name  HD2) 3.023 1.142 1.142 weight 1.000 ! spec=NOESY, no=260, id=257, vol=1.840000e+08
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    5 and name  HD1)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name  HB1)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    6 and name   HN) 3.057 1.168 1.168 weight 1.000 ! spec=NOESY, no=274, id=271, vol=1.720000e+08
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    6 and name   HN)
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name   HN) 3.107 1.207 1.207 weight 1.000 ! spec=NOESY, no=286, id=283, vol=1.560000e+08
    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)
    or (segid "    " and resid   24 and name HG12) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   25 and name   HN) 3.111 1.210 1.210 weight 1.000 ! spec=NOESY, no=287, id=284, vol=1.550000e+08
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   16 and name   HN) 3.135 1.228 1.228 weight 1.000 ! spec=NOESY, no=293, id=290, vol=1.480000e+08
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name   HN) 3.160 1.248 1.248 weight 1.000 ! spec=NOESY, no=301, id=298, vol=1.410000e+08
    or (segid "    " and resid   16 and name  HG1) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    6 and name   HN) 3.224 1.299 1.299 weight 1.000 ! spec=NOESY, no=319, id=316, vol=1.250000e+08
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   18 and name   HN) 3.229 1.303 1.303 weight 1.000 ! spec=NOESY, no=321, id=318, vol=1.240000e+08
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   18 and name   HN)
    or (segid "    " and resid   23 and name  HG2) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid    8 and name  HB2) 3.251 1.321 1.321 weight 1.000 ! spec=NOESY, no=325, id=322, vol=1.190000e+08
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid    8 and name  HB1)
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HB)
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   24 and name   HN) 3.265 1.332 1.332 weight 1.000 ! spec=NOESY, no=327, id=324, vol=1.160000e+08
    or (segid "    " and resid   23 and name  HB1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    8 and name   HN) 3.284 1.348 1.348 weight 1.000 ! spec=NOESY, no=336, id=333, vol=1.120000e+08
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   26 and name  HB2) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HE2) 3.284 1.348 1.348 weight 1.000 ! spec=NOESY, no=337, id=334, vol=1.120000e+08
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name  HD1)
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    6 and name   HN) 3.289 1.352 1.352 weight 1.000 ! spec=NOESY, no=338, id=335, vol=1.110000e+08
    or (segid "    " and resid    9 and name   HN) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   15 and name   HB) 3.294 1.356 1.356 weight 1.000 ! spec=NOESY, no=343, id=340, vol=1.100000e+08
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   23 and name  HB1)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   12 and name   HE) 3.304 1.364 1.364 weight 1.000 ! spec=NOESY, no=346, id=343, vol=1.080000e+08
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   12 and name   HE)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   15 and name HG12) 3.304 1.364 1.364 weight 1.000 ! spec=NOESY, no=348, id=345, vol=1.080000e+08
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   23 and name   HN) 3.341 1.395 1.395 weight 1.000 ! spec=NOESY, no=364, id=361, vol=1.010000e+08
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    7 and name   HN) 3.346 1.400 1.400 weight 1.000 ! spec=NOESY, no=365, id=362, vol=1.000000e+08
    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)
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   24 and name HG22) 3.347 1.400 1.400 weight 1.000 ! spec=NOESY, no=366, id=363, vol=9.990000e+07
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   24 and name HG21)
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   24 and name HG23)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   24 and name HG22)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   24 and name HG21)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   24 and name HG23)
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   23 and name   HN) 3.361 1.412 1.412 weight 1.000 ! spec=NOESY, no=371, id=368, vol=9.740000e+07
    or (segid "    " and resid   21 and name  HB2) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HN) 3.361 1.412 1.412 weight 1.000 ! spec=NOESY, no=372, id=369, vol=9.740000e+07
    or (segid "    " and resid   24 and name   HN) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    6 and name   HN) 3.383 1.431 1.431 weight 1.000 ! spec=NOESY, no=381, id=378, vol=9.360000e+07
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    6 and name   HN)
    or (segid "    " and resid   12 and name  HD1) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   24 and name   HB) (segid "    " and resid   25 and name   HN) 3.391 1.438 1.438 weight 1.000 ! spec=NOESY, no=385, id=382, vol=9.230000e+07
    or (segid "    " and resid   24 and name   HB) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   12 and name   HE) 3.413 1.456 1.456 weight 1.000 ! spec=NOESY, no=388, id=385, vol=8.880000e+07
    or (segid "    " and resid   10 and name   HA) (segid "    " and resid   12 and name   HE)
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   15 and name HG22) 3.419 1.461 1.461 weight 1.000 ! spec=NOESY, no=391, id=388, vol=8.790000e+07
    or (segid "    " and resid    7 and name   HN) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid    7 and name   HN) (segid "    " and resid   15 and name HG23)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    4 and name   HA) 3.424 1.466 1.466 weight 1.000 ! spec=NOESY, no=395, id=392, vol=8.710000e+07
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    4 and name   HA)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name   HN) 3.440 1.479 1.479 weight 1.000 ! spec=NOESY, no=399, id=396, vol=8.480000e+07
    or (segid "    " and resid   10 and name  HG2) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    7 and name   HN) 3.492 1.525 1.525 weight 1.000 ! spec=NOESY, no=414, id=411, vol=7.740000e+07
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   15 and name HG22) (segid "    " and resid   11 and name  HE1) 3.509 1.539 1.539 weight 1.000 ! spec=NOESY, no=418, id=415, vol=7.520000e+07
    or (segid "    " and resid   15 and name HG22) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   15 and name HG12) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   15 and name HG12) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   25 and name   HN) 3.514 1.543 1.543 weight 1.000 ! spec=NOESY, no=419, id=416, vol=7.460000e+07
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    3 and name   HN) 3.541 1.568 1.568 weight 1.000 ! spec=NOESY, no=427, id=424, vol=7.120000e+07
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    3 and name   HN)
    or (segid "    " and resid   25 and name  HB2) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name   HA) 3.562 1.586 1.586 weight 1.000 ! spec=NOESY, no=431, id=428, vol=6.880000e+07
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name   HA)
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name   HN) 3.600 1.620 1.620 weight 1.000 ! spec=NOESY, no=437, id=434, vol=6.450000e+07
    or (segid "    " and resid   27 and name  HN1) (segid "    " and resid   26 and name   HN)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   15 and name HG22) 3.694 1.705 1.705 weight 1.000 ! spec=NOESY, no=464, id=461, vol=5.530000e+07
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   15 and name HG23)
    or (segid "    " and resid   16 and name  HD2) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   16 and name  HD2) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   16 and name  HD2) (segid "    " and resid   15 and name HG23)
    or (segid "    " and resid   16 and name  HD1) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   16 and name  HD1) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   16 and name  HD1) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   16 and name  HD2) (segid "    " and resid   16 and name   HN) 3.698 1.710 1.710 weight 1.000 ! spec=NOESY, no=467, id=464, vol=5.490000e+07
    or (segid "    " and resid   16 and name  HD1) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   16 and name  HD2) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   16 and name  HD1) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    3 and name   HA) 3.731 1.740 1.740 weight 1.000 ! spec=NOESY, no=470, id=467, vol=5.210000e+07
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    3 and name   HA)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    3 and name   HA)
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name   HA)
    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    9 and name  HG1) (segid "    " and resid    6 and name   HA) 3.824 1.828 1.828 weight 1.000 ! spec=NOESY, no=485, id=482, vol=4.490000e+07
    or (segid "    " and resid    5 and name  HG1) (segid "    " and resid    6 and name   HA)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   11 and name   HN) 3.839 1.842 1.842 weight 1.000 ! spec=NOESY, no=488, id=485, vol=4.390000e+07
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    7 and name   HN) 3.847 1.850 1.850 weight 1.000 ! spec=NOESY, no=489, id=486, vol=4.330000e+07
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   15 and name HG22) (segid "    " and resid   18 and name   HN) 3.910 1.911 1.911 weight 1.000 ! spec=NOESY, no=497, id=494, vol=3.930000e+07
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   18 and name   HN)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   18 and name   HN)
    or (segid "    " and resid   15 and name HG22) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   11 and name  HD1) 3.946 1.946 1.946 weight 1.000 ! spec=NOESY, no=503, id=500, vol=3.720000e+07
    or (segid "    " and resid    8 and name  HB2) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   12 and name  HG1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    8 and name   HA) 3.975 1.975 1.975 weight 1.000 ! spec=NOESY, no=509, id=506, vol=3.560000e+07
    or (segid "    " and resid    9 and name  HG1) (segid "    " and resid   10 and name   HA)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    3 and name  HB2) 3.982 1.983 1.983 weight 1.000 ! spec=NOESY, no=511, id=508, vol=3.520000e+07
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    3 and name  HB2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    3 and name  HB2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   10 and name  HB2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   10 and name  HB2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   10 and name  HB2)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   23 and name   HN) 4.006 2.006 2.006 weight 1.000 ! spec=NOESY, no=515, id=512, vol=3.400000e+07
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   14 and name  HG2) (segid "    " and resid    8 and name  HZ2) 4.013 2.013 2.013 weight 1.000 ! spec=NOESY, no=517, id=514, vol=3.360000e+07
    or (segid "    " and resid   14 and name  HG2) (segid "    " and resid    8 and name  HZ1)
    or (segid "    " and resid   14 and name  HG2) (segid "    " and resid    8 and name  HZ3)
    or (segid "    " and resid   18 and name  HB1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   14 and name  HB2) 4.152 2.155 2.155 weight 1.000 ! spec=NOESY, no=523, id=520, vol=2.740000e+07
    or (segid "    " and resid   25 and name  HD2) (segid "    " and resid   14 and name  HB1)
    or (segid "    " and resid   27 and name  HN1) (segid "    " and resid   14 and name  HB2)
    or (segid "    " and resid   27 and name  HN1) (segid "    " and resid   14 and name  HB1)
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid    7 and name   HN) 4.297 2.308 2.308 weight 1.000 ! spec=NOESY, no=527, id=524, vol=2.230000e+07
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid   11 and name  HD1) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   16 and name   HN) 4.466 2.493 2.493 weight 1.000 ! spec=NOESY, no=531, id=528, vol=1.770000e+07
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   22 and name  HD1) (segid "    " and resid   17 and name   HN)
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   17 and name   HN)
# Restraints file 2: unambig.tbl
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name  HB2) 1.688 0.356 0.356 weight 1.000 ! spec=NOESY, no=3, id=0, vol=6.080000e+09
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name  HB2) 1.780 0.396 0.396 weight 1.000 ! spec=NOESY, no=4, id=1, vol=4.410000e+09
assign (segid "    " and resid   27 and name  HN1) (segid "    " and resid   27 and name  HN2) 1.786 0.399 0.399 weight 1.000 ! spec=NOESY, no=5, id=2, vol=4.330000e+09
assign (segid "    " and resid   22 and name  HE1) (segid "    " and resid   22 and name  HD1) 1.804 0.407 0.407 weight 1.000 ! spec=NOESY, no=6, id=3, vol=4.070000e+09
    or (segid "    " and resid   22 and name  HE1) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid   22 and name  HE2) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid   22 and name  HE2) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HB2) 1.806 0.408 0.408 weight 1.000 ! spec=NOESY, no=7, id=4, vol=4.050000e+09
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HB2) 1.814 0.411 0.411 weight 1.000 ! spec=NOESY, no=8, id=5, vol=3.940000e+09
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HB2) 1.815 0.412 0.412 weight 1.000 ! spec=NOESY, no=9, id=6, vol=3.930000e+09
assign (segid "    " and resid   12 and name  HD1) (segid "    " and resid   12 and name  HD2) 1.816 0.412 0.412 weight 1.000 ! spec=NOESY, no=10, id=7, vol=3.910000e+09
assign (segid "    " and resid    1 and name HD21) (segid "    " and resid    1 and name HD22) 1.830 0.419 0.419 weight 1.000 ! spec=NOESY, no=11, id=8, vol=3.740000e+09
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HB2) 1.848 0.427 0.427 weight 1.000 ! spec=NOESY, no=12, id=9, vol=3.520000e+09
assign (segid "    " and resid   20 and name  HD1) (segid "    " and resid   20 and name  HD2) 1.872 0.438 0.438 weight 1.000 ! spec=NOESY, no=13, id=10, vol=3.260000e+09
assign (segid "    " and resid   19 and name  HD1) (segid "    " and resid   19 and name  HD2) 1.885 0.444 0.444 weight 1.000 ! spec=NOESY, no=14, id=11, vol=3.130000e+09
assign (segid "    " and resid   11 and name  HE1) (segid "    " and resid   11 and name  HD1) 2.002 0.501 0.501 weight 1.000 ! spec=NOESY, no=15, id=12, vol=2.180000e+09
    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   16 and name   HA) (segid "    " and resid   17 and name   HN) 2.054 0.527 0.527 weight 1.000 ! spec=NOESY, no=16, id=13, vol=1.870000e+09
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name   HN) 2.058 0.529 0.529 weight 1.000 ! spec=NOESY, no=17, id=14, vol=1.850000e+09
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 2.065 0.533 0.533 weight 1.000 ! spec=NOESY, no=18, id=15, vol=1.810000e+09
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name   HN) 2.089 0.545 0.545 weight 1.000 ! spec=NOESY, no=19, id=16, vol=1.690000e+09
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name   HN) 2.099 0.551 0.551 weight 1.000 ! spec=NOESY, no=20, id=17, vol=1.640000e+09
assign (segid "    " and resid   24 and name HG12) (segid "    " and resid   24 and name HG22) 2.117 0.560 0.560 weight 1.000 ! spec=NOESY, no=21, id=18, vol=1.560000e+09
    or (segid "    " and resid   24 and name HG12) (segid "    " and resid   24 and name HG21)
    or (segid "    " and resid   24 and name HG12) (segid "    " and resid   24 and name HG23)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   24 and name HG22)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   24 and name HG21)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   24 and name HG23)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   24 and name HG22)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   24 and name HG21)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   24 and name HG23)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 2.126 0.565 0.565 weight 1.000 ! spec=NOESY, no=22, id=19, vol=1.520000e+09
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HN) 2.148 0.577 0.577 weight 1.000 ! spec=NOESY, no=24, id=21, vol=1.430000e+09
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name  HG2) 2.150 0.578 0.578 weight 1.000 ! spec=NOESY, no=25, id=22, vol=1.420000e+09
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN) 2.156 0.581 0.581 weight 1.000 ! spec=NOESY, no=26, id=23, vol=1.400000e+09
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name  HD2) 2.163 0.585 0.585 weight 1.000 ! spec=NOESY, no=27, id=24, vol=1.370000e+09
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 2.200 0.605 0.605 weight 1.000 ! spec=NOESY, no=28, id=25, vol=1.240000e+09
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name  HD2) 2.206 0.608 0.608 weight 1.000 ! spec=NOESY, no=29, id=26, vol=1.220000e+09
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB2) 2.237 0.626 0.626 weight 1.000 ! spec=NOESY, no=31, id=28, vol=1.120000e+09
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB1)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HD2) 2.241 0.628 0.628 weight 1.000 ! spec=NOESY, no=32, id=29, vol=1.110000e+09
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name  HD1) 2.261 0.639 0.639 weight 1.000 ! spec=NOESY, no=33, id=30, vol=1.050000e+09
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HN) 2.272 0.645 0.645 weight 1.000 ! spec=NOESY, no=34, id=31, vol=1.020000e+09
    or (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HD1) 2.303 0.663 0.663 weight 1.000 ! spec=NOESY, no=35, id=32, vol=9.410000e+08
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HN) 2.305 0.664 0.664 weight 1.000 ! spec=NOESY, no=36, id=33, vol=9.360000e+08
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.313 0.669 0.669 weight 1.000 ! spec=NOESY, no=37, id=34, vol=9.160000e+08
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name   HN) 2.313 0.669 0.669 weight 1.000 ! spec=NOESY, no=38, id=35, vol=9.160000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name   HN) 2.313 0.669 0.669 weight 1.000 ! spec=NOESY, no=39, id=36, vol=9.160000e+08
assign (segid "    " and resid   12 and name  HD1) (segid "    " and resid   12 and name   HE) 2.314 0.669 0.669 weight 1.000 ! spec=NOESY, no=40, id=37, vol=9.140000e+08
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD1) 2.315 0.670 0.670 weight 1.000 ! spec=NOESY, no=41, id=38, vol=9.130000e+08
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HD1) 2.319 0.672 0.672 weight 1.000 ! spec=NOESY, no=43, id=40, vol=9.020000e+08
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.324 0.675 0.675 weight 1.000 ! spec=NOESY, no=44, id=41, vol=8.920000e+08
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name   HN) 2.327 0.677 0.677 weight 1.000 ! spec=NOESY, no=45, id=42, vol=8.850000e+08
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB2) 2.334 0.681 0.681 weight 1.000 ! spec=NOESY, no=46, id=43, vol=8.680000e+08
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD1) 2.352 0.691 0.691 weight 1.000 ! spec=NOESY, no=50, id=47, vol=8.300000e+08
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name HD22) 2.357 0.694 0.694 weight 1.000 ! spec=NOESY, no=51, id=48, vol=8.200000e+08
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB2) 2.357 0.695 0.695 weight 1.000 ! spec=NOESY, no=52, id=49, vol=8.180000e+08
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB1)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB2) 2.360 0.696 0.696 weight 1.000 ! spec=NOESY, no=53, id=50, vol=8.120000e+08
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name   HN) 2.366 0.700 0.700 weight 1.000 ! spec=NOESY, no=54, id=51, vol=8.010000e+08
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HN) 2.368 0.701 0.701 weight 1.000 ! spec=NOESY, no=55, id=52, vol=7.970000e+08
assign (segid "    " and resid   24 and name HG12) (segid "    " and resid   24 and name   HB) 2.377 0.706 0.706 weight 1.000 ! spec=NOESY, no=56, id=53, vol=7.780000e+08
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   24 and name   HB)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   24 and name   HB)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HN) 2.389 0.714 0.714 weight 1.000 ! spec=NOESY, no=58, id=55, vol=7.550000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB2) 2.395 0.717 0.717 weight 1.000 ! spec=NOESY, no=59, id=56, vol=7.450000e+08
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1)
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   24 and name   HB) 2.398 0.719 0.719 weight 1.000 ! spec=NOESY, no=61, id=58, vol=7.390000e+08
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   24 and name   HB)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   24 and name   HB)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 2.414 0.729 0.729 weight 1.000 ! spec=NOESY, no=62, id=59, vol=7.090000e+08
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HB2) 2.414 0.729 0.729 weight 1.000 ! spec=NOESY, no=63, id=60, vol=7.090000e+08
assign (segid "    " and resid   15 and name   HB) (segid "    " and resid   15 and name   HN) 2.417 0.730 0.730 weight 1.000 ! spec=NOESY, no=64, id=61, vol=7.050000e+08
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HA) 2.431 0.739 0.739 weight 1.000 ! spec=NOESY, no=65, id=62, vol=6.800000e+08
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HA)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB1) 2.434 0.741 0.741 weight 1.000 ! spec=NOESY, no=66, id=63, vol=6.750000e+08
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 2.440 0.744 0.744 weight 1.000 ! spec=NOESY, no=67, id=64, vol=6.660000e+08
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD1) 2.441 0.745 0.745 weight 1.000 ! spec=NOESY, no=68, id=65, vol=6.630000e+08
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name  HD1) 2.449 0.750 0.750 weight 1.000 ! spec=NOESY, no=69, id=66, vol=6.510000e+08
assign (segid "    " and resid    7 and name   HG) (segid "    " and resid    7 and name   HN) 2.451 0.751 0.751 weight 1.000 ! spec=NOESY, no=70, id=67, vol=6.470000e+08
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   13 and name   HN) 2.454 0.753 0.753 weight 1.000 ! spec=NOESY, no=71, id=68, vol=6.430000e+08
assign (segid "    " and resid   24 and name   HB) (segid "    " and resid   24 and name   HN) 2.457 0.754 0.754 weight 1.000 ! spec=NOESY, no=72, id=69, vol=6.390000e+08
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name   HN) 2.460 0.757 0.757 weight 1.000 ! spec=NOESY, no=73, id=70, vol=6.330000e+08
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HD2) 2.462 0.758 0.758 weight 1.000 ! spec=NOESY, no=74, id=71, vol=6.300000e+08
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HN) 2.470 0.763 0.763 weight 1.000 ! spec=NOESY, no=77, id=74, vol=6.180000e+08
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    7 and name   HA) 2.472 0.764 0.764 weight 1.000 ! spec=NOESY, no=78, id=75, vol=6.150000e+08
    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    4 and name   HN) (segid "    " and resid    3 and name   HN) 2.473 0.764 0.764 weight 1.000 ! spec=NOESY, no=79, id=76, vol=6.140000e+08
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HN) 2.480 0.769 0.769 weight 1.000 ! spec=NOESY, no=80, id=77, vol=6.040000e+08
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB2) 2.484 0.771 0.771 weight 1.000 ! spec=NOESY, no=82, id=79, vol=5.980000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HN) 2.485 0.772 0.772 weight 1.000 ! spec=NOESY, no=83, id=80, vol=5.970000e+08
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    7 and name   HG) 2.492 0.776 0.776 weight 1.000 ! spec=NOESY, no=84, id=81, vol=5.870000e+08
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    7 and name   HG)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    7 and name   HG)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HN) 2.497 0.780 0.780 weight 1.000 ! spec=NOESY, no=86, id=83, vol=5.790000e+08
assign (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name  HD2) 2.500 0.781 0.781 weight 1.000 ! spec=NOESY, no=87, id=84, vol=5.750000e+08
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB2) 2.504 0.784 0.784 weight 1.000 ! spec=NOESY, no=88, id=85, vol=5.700000e+08
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB1) 2.505 0.785 0.785 weight 1.000 ! spec=NOESY, no=89, id=86, vol=5.680000e+08
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    5 and name   HN) 2.505 0.785 0.785 weight 1.000 ! spec=NOESY, no=90, id=87, vol=5.680000e+08
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name  HD1) 2.510 0.787 0.787 weight 1.000 ! spec=NOESY, no=92, id=89, vol=5.620000e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name   HN) 2.510 0.788 0.788 weight 1.000 ! spec=NOESY, no=93, id=90, vol=5.610000e+08
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name HG22) 2.526 0.797 0.797 weight 1.000 ! spec=NOESY, no=94, id=91, vol=5.410000e+08
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name HG21)
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name HG23)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.529 0.799 0.799 weight 1.000 ! spec=NOESY, no=95, id=92, vol=5.370000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HB) 2.535 0.803 0.803 weight 1.000 ! spec=NOESY, no=96, id=93, vol=5.290000e+08
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD1) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=97, id=94, vol=5.140000e+08
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name   HG) 2.547 0.811 0.811 weight 1.000 ! spec=NOESY, no=98, id=95, vol=5.140000e+08
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name   HG)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name   HG)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG22) 2.548 0.812 0.812 weight 1.000 ! spec=NOESY, no=99, id=96, vol=5.130000e+08
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG12) 2.550 0.813 0.813 weight 1.000 ! spec=NOESY, no=100, id=97, vol=5.110000e+08
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HB2) 2.551 0.814 0.814 weight 1.000 ! spec=NOESY, no=101, id=98, vol=5.090000e+08
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   18 and name   HN) 2.558 0.818 0.818 weight 1.000 ! spec=NOESY, no=102, id=99, vol=5.010000e+08
assign (segid "    " and resid   15 and name HG22) (segid "    " and resid    7 and name  HB1) 2.563 0.821 0.821 weight 1.000 ! spec=NOESY, no=103, id=100, vol=4.950000e+08
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid    7 and name  HB1)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid    7 and name  HB1)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   11 and name  HE1) 2.564 0.822 0.822 weight 1.000 ! spec=NOESY, no=104, id=101, vol=4.940000e+08
    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   25 and name   HA) (segid "    " and resid   25 and name  HB1) 2.564 0.822 0.822 weight 1.000 ! spec=NOESY, no=105, id=102, vol=4.940000e+08
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HA) 2.567 0.824 0.824 weight 1.000 ! spec=NOESY, no=106, id=103, vol=4.910000e+08
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD2) 2.578 0.831 0.831 weight 1.000 ! spec=NOESY, no=107, id=104, vol=4.780000e+08
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name   HN) 2.579 0.832 0.832 weight 1.000 ! spec=NOESY, no=108, id=105, vol=4.770000e+08
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   14 and name   HN) 2.584 0.834 0.834 weight 1.000 ! spec=NOESY, no=109, id=106, vol=4.720000e+08
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB2) 2.586 0.836 0.836 weight 1.000 ! spec=NOESY, no=110, id=107, vol=4.700000e+08
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   15 and name HG12) 2.587 0.837 0.837 weight 1.000 ! spec=NOESY, no=112, id=109, vol=4.680000e+08
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name   HN) 2.588 0.837 0.837 weight 1.000 ! spec=NOESY, no=113, id=110, vol=4.670000e+08
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    7 and name   HN) 2.595 0.842 0.842 weight 1.000 ! spec=NOESY, no=114, id=111, vol=4.600000e+08
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   13 and name  HB1) 2.597 0.843 0.843 weight 1.000 ! spec=NOESY, no=115, id=112, vol=4.580000e+08
assign (segid "    " and resid    8 and name  HD2) (segid "    " and resid    8 and name   HA) 2.597 0.843 0.843 weight 1.000 ! spec=NOESY, no=116, id=113, vol=4.580000e+08
    or (segid "    " and resid    8 and name  HD1) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB2) 2.606 0.849 0.849 weight 1.000 ! spec=NOESY, no=117, id=114, vol=4.480000e+08
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name  HB2) 2.617 0.856 0.856 weight 1.000 ! spec=NOESY, no=119, id=116, vol=4.370000e+08
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name  HB2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name  HB2)
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   15 and name HG12) 2.620 0.858 0.858 weight 1.000 ! spec=NOESY, no=120, id=117, vol=4.340000e+08
    or (segid "    " and resid   24 and name HG22) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   24 and name HG22) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name   HE) 2.628 0.863 0.863 weight 1.000 ! spec=NOESY, no=121, id=118, vol=4.260000e+08
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HG2) 2.630 0.865 0.865 weight 1.000 ! spec=NOESY, no=122, id=119, vol=4.240000e+08
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HG1)
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid    7 and name HD22) 2.631 0.866 0.866 weight 1.000 ! spec=NOESY, no=123, id=120, vol=4.230000e+08
    or (segid "    " and resid   24 and name HG22) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   24 and name HG22) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid    7 and name HD23)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid    7 and name HD22)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid    7 and name HD21)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid    7 and name HD23)
assign (segid "    " and resid   19 and name  HG1) (segid "    " and resid   19 and name  HD1) 2.635 0.868 0.868 weight 1.000 ! spec=NOESY, no=124, id=121, vol=4.200000e+08
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name  HB1) 2.636 0.868 0.868 weight 1.000 ! spec=NOESY, no=125, id=122, vol=4.190000e+08
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    7 and name  HB1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    7 and name  HB1)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1) 2.640 0.871 0.871 weight 1.000 ! spec=NOESY, no=127, id=124, vol=4.150000e+08
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HN) 2.641 0.872 0.872 weight 1.000 ! spec=NOESY, no=128, id=125, vol=4.140000e+08
assign (segid "    " and resid   12 and name   HE) (segid "    " and resid   11 and name   HN) 2.642 0.872 0.872 weight 1.000 ! spec=NOESY, no=129, id=126, vol=4.130000e+08
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   10 and name   HN) 2.644 0.874 0.874 weight 1.000 ! spec=NOESY, no=130, id=127, vol=4.110000e+08
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    6 and name   HN) 2.646 0.875 0.875 weight 1.000 ! spec=NOESY, no=131, id=128, vol=4.090000e+08
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HN) 2.648 0.877 0.877 weight 1.000 ! spec=NOESY, no=132, id=129, vol=4.070000e+08
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name HG12) 2.648 0.877 0.877 weight 1.000 ! spec=NOESY, no=133, id=130, vol=4.070000e+08
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name HG11)
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name HG13)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name   HN) 2.651 0.878 0.878 weight 1.000 ! spec=NOESY, no=134, id=131, vol=4.050000e+08
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   25 and name  HB2) 2.654 0.880 0.880 weight 1.000 ! spec=NOESY, no=135, id=132, vol=4.020000e+08
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name  HB2)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   22 and name   HN) 2.656 0.882 0.882 weight 1.000 ! spec=NOESY, no=136, id=133, vol=4.000000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name   HN) 2.659 0.884 0.884 weight 1.000 ! spec=NOESY, no=137, id=134, vol=3.970000e+08
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HA) 2.665 0.888 0.888 weight 1.000 ! spec=NOESY, no=139, id=136, vol=3.920000e+08
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HD1) 2.668 0.890 0.890 weight 1.000 ! spec=NOESY, no=140, id=137, vol=3.890000e+08
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HN) 2.668 0.890 0.890 weight 1.000 ! spec=NOESY, no=141, id=138, vol=3.890000e+08
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   15 and name HG12) 2.670 0.891 0.891 weight 1.000 ! spec=NOESY, no=142, id=139, vol=3.880000e+08
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    6 and name   HN) 2.674 0.894 0.894 weight 1.000 ! spec=NOESY, no=144, id=141, vol=3.840000e+08
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid   19 and name  HG2) (segid "    " and resid   19 and name  HD2) 2.676 0.895 0.895 weight 1.000 ! spec=NOESY, no=145, id=142, vol=3.820000e+08
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    7 and name  HB1) 2.685 0.901 0.901 weight 1.000 ! spec=NOESY, no=146, id=143, vol=3.750000e+08
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    7 and name  HB1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    7 and name  HB1)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB1) 2.687 0.903 0.903 weight 1.000 ! spec=NOESY, no=147, id=144, vol=3.730000e+08
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.688 0.903 0.903 weight 1.000 ! spec=NOESY, no=148, id=145, vol=3.720000e+08
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN) 2.690 0.904 0.904 weight 1.000 ! spec=NOESY, no=149, id=146, vol=3.710000e+08
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name   HN) 2.698 0.910 0.910 weight 1.000 ! spec=NOESY, no=151, id=148, vol=3.640000e+08
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB1) 2.706 0.915 0.915 weight 1.000 ! spec=NOESY, no=154, id=151, vol=3.580000e+08
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HE) 2.707 0.916 0.916 weight 1.000 ! spec=NOESY, no=155, id=152, vol=3.570000e+08
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   16 and name   HN) 2.707 0.916 0.916 weight 1.000 ! spec=NOESY, no=156, id=153, vol=3.570000e+08
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   10 and name   HN) 2.708 0.917 0.917 weight 1.000 ! spec=NOESY, no=157, id=154, vol=3.560000e+08
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.709 0.918 0.918 weight 1.000 ! spec=NOESY, no=158, id=155, vol=3.550000e+08
assign (segid "    " and resid   15 and name HG22) (segid "    " and resid   16 and name   HN) 2.709 0.918 0.918 weight 1.000 ! spec=NOESY, no=159, id=156, vol=3.550000e+08
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name   HE) 2.709 0.918 0.918 weight 1.000 ! spec=NOESY, no=160, id=157, vol=3.550000e+08
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB1) 2.713 0.920 0.920 weight 1.000 ! spec=NOESY, no=161, id=158, vol=3.520000e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.716 0.922 0.922 weight 1.000 ! spec=NOESY, no=162, id=159, vol=3.500000e+08
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   24 and name   HN) 2.716 0.922 0.922 weight 1.000 ! spec=NOESY, no=163, id=160, vol=3.500000e+08
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name   HN) 2.726 0.929 0.929 weight 1.000 ! spec=NOESY, no=164, id=161, vol=3.420000e+08
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name   HN) 2.730 0.932 0.932 weight 1.000 ! spec=NOESY, no=165, id=162, vol=3.390000e+08
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HN) 2.736 0.936 0.936 weight 1.000 ! spec=NOESY, no=166, id=163, vol=3.350000e+08
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 2.737 0.936 0.936 weight 1.000 ! spec=NOESY, no=167, id=164, vol=3.340000e+08
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name  HB1) 2.738 0.937 0.937 weight 1.000 ! spec=NOESY, no=168, id=165, vol=3.330000e+08
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid   22 and name  HE1) 2.740 0.938 0.938 weight 1.000 ! spec=NOESY, no=169, id=166, vol=3.320000e+08
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid   22 and name  HE2)
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   22 and name  HE1)
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 2.741 0.939 0.939 weight 1.000 ! spec=NOESY, no=170, id=167, vol=3.310000e+08
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   18 and name  HB2) 2.743 0.940 0.940 weight 1.000 ! spec=NOESY, no=171, id=168, vol=3.300000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid   24 and name HG12) (segid "    " and resid   13 and name  HB1) 2.750 0.945 0.945 weight 1.000 ! spec=NOESY, no=172, id=169, vol=3.250000e+08
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   13 and name  HB1)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name   HN) 2.750 0.945 0.945 weight 1.000 ! spec=NOESY, no=173, id=170, vol=3.250000e+08
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN) 2.754 0.948 0.948 weight 1.000 ! spec=NOESY, no=174, id=171, vol=3.220000e+08
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    4 and name   HN) 2.757 0.950 0.950 weight 1.000 ! spec=NOESY, no=176, id=173, vol=3.200000e+08
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name   HN) 2.758 0.951 0.951 weight 1.000 ! spec=NOESY, no=177, id=174, vol=3.190000e+08
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name   HN) 2.758 0.951 0.951 weight 1.000 ! spec=NOESY, no=178, id=175, vol=3.190000e+08
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HD1) 2.767 0.957 0.957 weight 1.000 ! spec=NOESY, no=179, id=176, vol=3.130000e+08
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   11 and name   HN) 2.777 0.964 0.964 weight 1.000 ! spec=NOESY, no=180, id=177, vol=3.060000e+08
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   22 and name   HN) 2.780 0.966 0.966 weight 1.000 ! spec=NOESY, no=181, id=178, vol=3.040000e+08
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   18 and name   HN) 2.782 0.967 0.967 weight 1.000 ! spec=NOESY, no=182, id=179, vol=3.030000e+08
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 2.783 0.968 0.968 weight 1.000 ! spec=NOESY, no=183, id=180, vol=3.020000e+08
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   25 and name  HB1) 2.785 0.969 0.969 weight 1.000 ! spec=NOESY, no=184, id=181, vol=3.010000e+08
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name  HB1)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN) 2.797 0.978 0.978 weight 1.000 ! spec=NOESY, no=186, id=183, vol=2.930000e+08
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB1) 2.797 0.978 0.978 weight 1.000 ! spec=NOESY, no=187, id=184, vol=2.930000e+08
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB1) 2.802 0.982 0.982 weight 1.000 ! spec=NOESY, no=188, id=185, vol=2.900000e+08
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HG2) 2.804 0.983 0.983 weight 1.000 ! spec=NOESY, no=189, id=186, vol=2.890000e+08
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HG1)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB2) 2.807 0.985 0.985 weight 1.000 ! spec=NOESY, no=190, id=187, vol=2.870000e+08
assign (segid "    " and resid   15 and name HG12) (segid "    " and resid   11 and name  HD1) 2.814 0.990 0.990 weight 1.000 ! spec=NOESY, no=192, id=189, vol=2.830000e+08
    or (segid "    " and resid   15 and name HG12) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HN) 2.817 0.992 0.992 weight 1.000 ! spec=NOESY, no=193, id=190, vol=2.810000e+08
assign (segid "    " and resid   20 and name  HD2) (segid "    " and resid   21 and name   HN) 2.819 0.993 0.993 weight 1.000 ! spec=NOESY, no=194, id=191, vol=2.800000e+08
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HA) 2.822 0.996 0.996 weight 1.000 ! spec=NOESY, no=195, id=192, vol=2.780000e+08
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name  HN2) 2.824 0.997 0.997 weight 1.000 ! spec=NOESY, no=196, id=193, vol=2.770000e+08
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 2.832 1.003 1.003 weight 1.000 ! spec=NOESY, no=198, id=195, vol=2.720000e+08
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.832 1.003 1.003 weight 1.000 ! spec=NOESY, no=199, id=196, vol=2.720000e+08
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name   HN) 2.841 1.009 1.009 weight 1.000 ! spec=NOESY, no=200, id=197, vol=2.670000e+08
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   22 and name  HD1) 2.841 1.009 1.009 weight 1.000 ! spec=NOESY, no=201, id=198, vol=2.670000e+08
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name HG12) 2.848 1.014 1.014 weight 1.000 ! spec=NOESY, no=203, id=200, vol=2.630000e+08
    or (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name  HB1) 2.854 1.018 1.018 weight 1.000 ! spec=NOESY, no=204, id=201, vol=2.600000e+08
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   15 and name HG22) 2.854 1.018 1.018 weight 1.000 ! spec=NOESY, no=205, id=202, vol=2.600000e+08
    or (segid "    " and resid   24 and name HG22) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   24 and name HG22) (segid "    " and resid   15 and name HG23)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   15 and name HG23)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   14 and name   HN) 2.854 1.018 1.018 weight 1.000 ! spec=NOESY, no=206, id=203, vol=2.600000e+08
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    2 and name   HN) 2.856 1.019 1.019 weight 1.000 ! spec=NOESY, no=207, id=204, vol=2.590000e+08
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HN) 2.856 1.019 1.019 weight 1.000 ! spec=NOESY, no=208, id=205, vol=2.590000e+08
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.865 1.026 1.026 weight 1.000 ! spec=NOESY, no=209, id=206, vol=2.540000e+08
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HE) 2.867 1.027 1.027 weight 1.000 ! spec=NOESY, no=210, id=207, vol=2.530000e+08
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name  HB2) 2.876 1.034 1.034 weight 1.000 ! spec=NOESY, no=211, id=208, vol=2.480000e+08
assign (segid "    " and resid   19 and name  HD1) (segid "    " and resid   17 and name  HB2) 2.878 1.036 1.036 weight 1.000 ! spec=NOESY, no=212, id=209, vol=2.470000e+08
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HN) 2.880 1.037 1.037 weight 1.000 ! spec=NOESY, no=213, id=210, vol=2.460000e+08
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   23 and name   HN) 2.882 1.038 1.038 weight 1.000 ! spec=NOESY, no=214, id=211, vol=2.450000e+08
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name   HN) 2.888 1.043 1.043 weight 1.000 ! spec=NOESY, no=215, id=212, vol=2.420000e+08
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name   HN) 2.894 1.047 1.047 weight 1.000 ! spec=NOESY, no=216, id=213, vol=2.390000e+08
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name   HN) 2.896 1.048 1.048 weight 1.000 ! spec=NOESY, no=217, id=214, vol=2.380000e+08
assign (segid "    " and resid   24 and name HG12) (segid "    " and resid   11 and name  HD1) 2.904 1.054 1.054 weight 1.000 ! spec=NOESY, no=219, id=216, vol=2.340000e+08
    or (segid "    " and resid   24 and name HG12) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.904 1.054 1.054 weight 1.000 ! spec=NOESY, no=220, id=217, vol=2.340000e+08
assign (segid "    " and resid   15 and name HG22) (segid "    " and resid   22 and name  HD1) 2.908 1.057 1.057 weight 1.000 ! spec=NOESY, no=222, id=219, vol=2.320000e+08
    or (segid "    " and resid   15 and name HG22) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name   HN) 2.917 1.064 1.064 weight 1.000 ! spec=NOESY, no=223, id=220, vol=2.280000e+08
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name   HN) 2.919 1.065 1.065 weight 1.000 ! spec=NOESY, no=224, id=221, vol=2.270000e+08
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   22 and name  HB2) 2.921 1.067 1.067 weight 1.000 ! spec=NOESY, no=225, id=222, vol=2.260000e+08
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   22 and name  HB2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   22 and name  HB2)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   25 and name   HN) 2.921 1.067 1.067 weight 1.000 ! spec=NOESY, no=226, id=223, vol=2.260000e+08
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HG2) 2.923 1.068 1.068 weight 1.000 ! spec=NOESY, no=227, id=224, vol=2.250000e+08
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    6 and name   HN) 2.932 1.075 1.075 weight 1.000 ! spec=NOESY, no=229, id=226, vol=2.210000e+08
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HD1) 2.934 1.076 1.076 weight 1.000 ! spec=NOESY, no=230, id=227, vol=2.200000e+08
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name   HN) 2.937 1.078 1.078 weight 1.000 ! spec=NOESY, no=231, id=228, vol=2.190000e+08
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HD1) 2.941 1.081 1.081 weight 1.000 ! spec=NOESY, no=232, id=229, vol=2.170000e+08
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    6 and name  HG1) (segid "    " and resid    6 and name   HA) 2.943 1.083 1.083 weight 1.000 ! spec=NOESY, no=233, id=230, vol=2.160000e+08
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   15 and name HG22) 2.950 1.088 1.088 weight 1.000 ! spec=NOESY, no=234, id=231, vol=2.130000e+08
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   15 and name HG23)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   15 and name HG23)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   15 and name HG12) 2.957 1.093 1.093 weight 1.000 ! spec=NOESY, no=235, id=232, vol=2.100000e+08
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   15 and name HG13)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   15 and name HG12)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name   HN) 2.967 1.100 1.100 weight 1.000 ! spec=NOESY, no=237, id=234, vol=2.060000e+08
assign (segid "    " and resid   16 and name  HD2) (segid "    " and resid   16 and name   HE) 2.974 1.106 1.106 weight 1.000 ! spec=NOESY, no=240, id=237, vol=2.030000e+08
    or (segid "    " and resid   16 and name  HD1) (segid "    " and resid   16 and name   HE)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HG1) 2.974 1.106 1.106 weight 1.000 ! spec=NOESY, no=241, id=238, vol=2.030000e+08
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   24 and name   HN) 2.981 1.111 1.111 weight 1.000 ! spec=NOESY, no=243, id=240, vol=2.000000e+08
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name  HD1) 2.984 1.113 1.113 weight 1.000 ! spec=NOESY, no=244, id=241, vol=1.990000e+08
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   18 and name  HB1) 2.984 1.113 1.113 weight 1.000 ! spec=NOESY, no=245, id=242, vol=1.990000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   18 and name  HB1)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HN) 2.986 1.115 1.115 weight 1.000 ! spec=NOESY, no=246, id=243, vol=1.980000e+08
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   15 and name HG12) 2.989 1.117 1.117 weight 1.000 ! spec=NOESY, no=247, id=244, vol=1.970000e+08
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   21 and name   HE) 2.994 1.120 1.120 weight 1.000 ! spec=NOESY, no=248, id=245, vol=1.950000e+08
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name   HE)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   13 and name   HN) 2.996 1.122 1.122 weight 1.000 ! spec=NOESY, no=249, id=246, vol=1.940000e+08
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   22 and name  HE1) 3.002 1.126 1.126 weight 1.000 ! spec=NOESY, no=250, id=247, vol=1.920000e+08
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HN) 3.007 1.130 1.130 weight 1.000 ! spec=NOESY, no=253, id=250, vol=1.900000e+08
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   18 and name   HN) 3.007 1.130 1.130 weight 1.000 ! spec=NOESY, no=254, id=251, vol=1.900000e+08
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HN) 3.015 1.136 1.136 weight 1.000 ! spec=NOESY, no=255, id=252, vol=1.870000e+08
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HD1) 3.020 1.140 1.140 weight 1.000 ! spec=NOESY, no=257, id=254, vol=1.850000e+08
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    5 and name  HG1) (segid "    " and resid    5 and name   HA) 3.023 1.142 1.142 weight 1.000 ! spec=NOESY, no=258, id=255, vol=1.840000e+08
assign (segid "    " and resid   24 and name HG12) (segid "    " and resid   11 and name  HE1) 3.026 1.144 1.144 weight 1.000 ! spec=NOESY, no=261, id=258, vol=1.830000e+08
    or (segid "    " and resid   24 and name HG12) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   11 and name  HD1) 3.029 1.146 1.146 weight 1.000 ! spec=NOESY, no=262, id=259, vol=1.820000e+08
    or (segid "    " and resid   24 and name HG22) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   10 and name   HN) 3.029 1.146 1.146 weight 1.000 ! spec=NOESY, no=263, id=260, vol=1.820000e+08
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HD1) 3.029 1.146 1.146 weight 1.000 ! spec=NOESY, no=264, id=261, vol=1.820000e+08
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   11 and name  HD1) 3.029 1.146 1.146 weight 1.000 ! spec=NOESY, no=265, id=262, vol=1.820000e+08
    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   19 and name   HA) (segid "    " and resid   19 and name  HG1) 3.031 1.149 1.149 weight 1.000 ! spec=NOESY, no=267, id=264, vol=1.810000e+08
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   22 and name  HB1) 3.031 1.149 1.149 weight 1.000 ! spec=NOESY, no=268, id=265, vol=1.810000e+08
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   22 and name  HB1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   22 and name  HB1)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   15 and name HG22) 3.037 1.153 1.153 weight 1.000 ! spec=NOESY, no=269, id=266, vol=1.790000e+08
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   15 and name HG23)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   15 and name HG23)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   15 and name HG22)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 3.043 1.157 1.157 weight 1.000 ! spec=NOESY, no=270, id=267, vol=1.770000e+08
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   11 and name  HE1) 3.045 1.159 1.159 weight 1.000 ! spec=NOESY, no=271, id=268, vol=1.760000e+08
    or (segid "    " and resid   24 and name HG22) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   15 and name HG22) 3.048 1.162 1.162 weight 1.000 ! spec=NOESY, no=272, id=269, vol=1.750000e+08
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   14 and name  HG2) (segid "    " and resid   14 and name   HN) 3.051 1.164 1.164 weight 1.000 ! spec=NOESY, no=273, id=270, vol=1.740000e+08
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name   HN) 3.060 1.171 1.171 weight 1.000 ! spec=NOESY, no=275, id=272, vol=1.710000e+08
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name   HN) 3.063 1.173 1.173 weight 1.000 ! spec=NOESY, no=276, id=273, vol=1.700000e+08
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HD2) 3.072 1.180 1.180 weight 1.000 ! spec=NOESY, no=277, id=274, vol=1.670000e+08
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name   HN) 3.072 1.180 1.180 weight 1.000 ! spec=NOESY, no=278, id=275, vol=1.670000e+08
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HN) 3.075 1.182 1.182 weight 1.000 ! spec=NOESY, no=279, id=276, vol=1.660000e+08
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    4 and name   HA) 3.078 1.185 1.185 weight 1.000 ! spec=NOESY, no=280, id=277, vol=1.650000e+08
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    4 and name   HA)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    4 and name   HA)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    8 and name   HN) 3.078 1.185 1.185 weight 1.000 ! spec=NOESY, no=281, id=278, vol=1.650000e+08
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   25 and name   HN) 3.091 1.194 1.194 weight 1.000 ! spec=NOESY, no=282, id=279, vol=1.610000e+08
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   18 and name   HN) 3.101 1.202 1.202 weight 1.000 ! spec=NOESY, no=283, id=280, vol=1.580000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   20 and name  HD1) 3.104 1.204 1.204 weight 1.000 ! spec=NOESY, no=284, id=281, vol=1.570000e+08
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   14 and name   HN) 3.104 1.204 1.204 weight 1.000 ! spec=NOESY, no=285, id=282, vol=1.570000e+08
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name   HA) 3.121 1.217 1.217 weight 1.000 ! spec=NOESY, no=288, id=285, vol=1.520000e+08
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   25 and name   HN) 3.124 1.220 1.220 weight 1.000 ! spec=NOESY, no=289, id=286, vol=1.510000e+08
assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name   HA) 3.128 1.223 1.223 weight 1.000 ! spec=NOESY, no=290, id=287, vol=1.500000e+08
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name  HB2) 3.128 1.223 1.223 weight 1.000 ! spec=NOESY, no=291, id=288, vol=1.500000e+08
assign (segid "    " and resid    6 and name  HG1) (segid "    " and resid    6 and name   HN) 3.131 1.226 1.226 weight 1.000 ! spec=NOESY, no=292, id=289, vol=1.490000e+08
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HG2) 3.138 1.231 1.231 weight 1.000 ! spec=NOESY, no=294, id=291, vol=1.470000e+08
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   22 and name  HE1) 3.142 1.234 1.234 weight 1.000 ! spec=NOESY, no=295, id=292, vol=1.460000e+08
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name  HD1) 3.145 1.237 1.237 weight 1.000 ! spec=NOESY, no=296, id=293, vol=1.450000e+08
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    3 and name   HN) 3.149 1.240 1.240 weight 1.000 ! spec=NOESY, no=297, id=294, vol=1.440000e+08
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HD2) 3.153 1.242 1.242 weight 1.000 ! spec=NOESY, no=299, id=296, vol=1.430000e+08
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HD1)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid    7 and name  HB2) 3.153 1.242 1.242 weight 1.000 ! spec=NOESY, no=300, id=297, vol=1.430000e+08
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid    7 and name  HB2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid    7 and name  HB2)
assign (segid "    " and resid   23 and name  HG2) (segid "    " and resid   23 and name   HN) 3.168 1.254 1.254 weight 1.000 ! spec=NOESY, no=302, id=299, vol=1.390000e+08
    or (segid "    " and resid   23 and name  HG1) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   10 and name  HD1) (segid "    " and resid   10 and name   HE) 3.168 1.254 1.254 weight 1.000 ! spec=NOESY, no=303, id=300, vol=1.390000e+08
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name   HA) 3.171 1.257 1.257 weight 1.000 ! spec=NOESY, no=304, id=301, vol=1.380000e+08
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HG2) 3.175 1.260 1.260 weight 1.000 ! spec=NOESY, no=305, id=302, vol=1.370000e+08
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HE1) 3.175 1.260 1.260 weight 1.000 ! spec=NOESY, no=306, id=303, vol=1.370000e+08
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   19 and name  HD1) 3.179 1.263 1.263 weight 1.000 ! spec=NOESY, no=308, id=305, vol=1.360000e+08
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name  HN1) 3.183 1.267 1.267 weight 1.000 ! spec=NOESY, no=309, id=306, vol=1.350000e+08
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid   22 and name  HE1) 3.187 1.270 1.270 weight 1.000 ! spec=NOESY, no=310, id=307, vol=1.340000e+08
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid   22 and name  HE2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   22 and name  HE1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid   22 and name  HE2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   22 and name  HE1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HG1) 3.187 1.270 1.270 weight 1.000 ! spec=NOESY, no=311, id=308, vol=1.340000e+08
assign (segid "    " and resid   24 and name HG12) (segid "    " and resid   24 and name   HN) 3.187 1.270 1.270 weight 1.000 ! spec=NOESY, no=312, id=309, vol=1.340000e+08
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name   HA) 3.191 1.273 1.273 weight 1.000 ! spec=NOESY, no=313, id=310, vol=1.330000e+08
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HN) 3.199 1.279 1.279 weight 1.000 ! spec=NOESY, no=314, id=311, vol=1.310000e+08
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name  HE1) 3.203 1.283 1.283 weight 1.000 ! spec=NOESY, no=315, id=312, vol=1.300000e+08
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   13 and name  HB2) 3.207 1.286 1.286 weight 1.000 ! spec=NOESY, no=316, id=313, vol=1.290000e+08
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HN) 3.207 1.286 1.286 weight 1.000 ! spec=NOESY, no=317, id=314, vol=1.290000e+08
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   18 and name   HN) 3.211 1.289 1.289 weight 1.000 ! spec=NOESY, no=318, id=315, vol=1.280000e+08
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   22 and name   HN) 3.224 1.299 1.299 weight 1.000 ! spec=NOESY, no=320, id=317, vol=1.250000e+08
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    3 and name   HA) 3.229 1.303 1.303 weight 1.000 ! spec=NOESY, no=322, id=319, vol=1.240000e+08
assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name   HA) 3.237 1.310 1.310 weight 1.000 ! spec=NOESY, no=323, id=320, vol=1.220000e+08
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   25 and name   HN) 3.246 1.317 1.317 weight 1.000 ! spec=NOESY, no=324, id=321, vol=1.200000e+08
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   25 and name   HN)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   24 and name HG12) (segid "    " and resid   11 and name  HB1) 3.265 1.332 1.332 weight 1.000 ! spec=NOESY, no=326, id=323, vol=1.160000e+08
    or (segid "    " and resid   24 and name HG11) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   24 and name HG13) (segid "    " and resid   11 and name  HB1)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid    8 and name   HA) 3.265 1.332 1.332 weight 1.000 ! spec=NOESY, no=328, id=325, vol=1.160000e+08
assign (segid "    " and resid   10 and name  HD2) (segid "    " and resid   10 and name   HE) 3.265 1.332 1.332 weight 1.000 ! spec=NOESY, no=329, id=326, vol=1.160000e+08
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name  HD2) 3.265 1.332 1.332 weight 1.000 ! spec=NOESY, no=330, id=327, vol=1.160000e+08
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   23 and name   HN) 3.269 1.336 1.336 weight 1.000 ! spec=NOESY, no=331, id=328, vol=1.150000e+08
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name  HD2) 3.274 1.340 1.340 weight 1.000 ! spec=NOESY, no=332, id=329, vol=1.140000e+08
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    3 and name  HG1) 3.279 1.344 1.344 weight 1.000 ! spec=NOESY, no=333, id=330, vol=1.130000e+08
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    3 and name  HG1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    3 and name  HG1)
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   23 and name   HN) 3.279 1.344 1.344 weight 1.000 ! spec=NOESY, no=334, id=331, vol=1.130000e+08
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   22 and name  HE1) 3.284 1.348 1.348 weight 1.000 ! spec=NOESY, no=335, id=332, vol=1.120000e+08
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   15 and name HG12) (segid "    " and resid   16 and name   HN) 3.289 1.352 1.352 weight 1.000 ! spec=NOESY, no=339, id=336, vol=1.110000e+08
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   18 and name   HN) 3.289 1.352 1.352 weight 1.000 ! spec=NOESY, no=340, id=337, vol=1.110000e+08
assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name   HN) 3.294 1.356 1.356 weight 1.000 ! spec=NOESY, no=341, id=338, vol=1.100000e+08
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    2 and name  HB1) 3.294 1.356 1.356 weight 1.000 ! spec=NOESY, no=342, id=339, vol=1.100000e+08
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    2 and name  HB1)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HE1) 3.299 1.360 1.360 weight 1.000 ! spec=NOESY, no=345, id=342, vol=1.090000e+08
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   24 and name HG22) 3.304 1.364 1.364 weight 1.000 ! spec=NOESY, no=347, id=344, vol=1.080000e+08
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   24 and name HG21)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   24 and name HG23)
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name   HN) 3.309 1.369 1.369 weight 1.000 ! spec=NOESY, no=349, id=346, vol=1.070000e+08
assign (segid "    " and resid   15 and name HG22) (segid "    " and resid   23 and name   HN) 3.309 1.369 1.369 weight 1.000 ! spec=NOESY, no=350, id=347, vol=1.070000e+08
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   15 and name HG22) 3.309 1.369 1.369 weight 1.000 ! spec=NOESY, no=351, id=348, vol=1.070000e+08
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   15 and name HG22) 3.314 1.373 1.373 weight 1.000 ! spec=NOESY, no=352, id=349, vol=1.060000e+08
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   13 and name   HN) 3.314 1.373 1.373 weight 1.000 ! spec=NOESY, no=353, id=350, vol=1.060000e+08
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name   HE) 3.314 1.373 1.373 weight 1.000 ! spec=NOESY, no=354, id=351, vol=1.060000e+08
    or (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HE)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name  HD2) 3.319 1.377 1.377 weight 1.000 ! spec=NOESY, no=355, id=352, vol=1.050000e+08
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HG2) 3.319 1.377 1.377 weight 1.000 ! spec=NOESY, no=356, id=353, vol=1.050000e+08
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   22 and name  HE1) 3.319 1.377 1.377 weight 1.000 ! spec=NOESY, no=357, id=354, vol=1.050000e+08
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid   22 and name  HE2)
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   22 and name  HE1)
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   12 and name  HD1) (segid "    " and resid   13 and name   HN) 3.325 1.382 1.382 weight 1.000 ! spec=NOESY, no=359, id=356, vol=1.040000e+08
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name  HD1) 3.325 1.382 1.382 weight 1.000 ! spec=NOESY, no=360, id=357, vol=1.040000e+08
    or (segid "    " and resid    7 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HE) 3.330 1.386 1.386 weight 1.000 ! spec=NOESY, no=362, id=359, vol=1.030000e+08
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HE)
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name HD22) 3.335 1.391 1.391 weight 1.000 ! spec=NOESY, no=363, id=360, vol=1.020000e+08
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   12 and name   HE) 3.349 1.402 1.402 weight 1.000 ! spec=NOESY, no=367, id=364, vol=9.950000e+07
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name  HG2) 3.350 1.403 1.403 weight 1.000 ! spec=NOESY, no=368, id=365, vol=9.940000e+07
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   21 and name   HN) 3.350 1.403 1.403 weight 1.000 ! spec=NOESY, no=369, id=366, vol=9.930000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HE1) 3.354 1.406 1.406 weight 1.000 ! spec=NOESY, no=370, id=367, vol=9.860000e+07
    or (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   19 and name  HD1) (segid "    " and resid   18 and name   HN) 3.362 1.413 1.413 weight 1.000 ! spec=NOESY, no=373, id=370, vol=9.730000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    2 and name  HB2) 3.362 1.413 1.413 weight 1.000 ! spec=NOESY, no=374, id=371, vol=9.730000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    2 and name  HB2)
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HN) 3.362 1.413 1.413 weight 1.000 ! spec=NOESY, no=375, id=372, vol=9.720000e+07
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    6 and name   HA) 3.368 1.418 1.418 weight 1.000 ! spec=NOESY, no=376, id=373, vol=9.620000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name  HB1) 3.373 1.422 1.422 weight 1.000 ! spec=NOESY, no=377, id=374, vol=9.530000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name HG12) 3.377 1.425 1.425 weight 1.000 ! spec=NOESY, no=378, id=375, vol=9.470000e+07
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name HD22) 3.381 1.429 1.429 weight 1.000 ! spec=NOESY, no=379, id=376, vol=9.400000e+07
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   22 and name  HE1) 3.383 1.431 1.431 weight 1.000 ! spec=NOESY, no=380, id=377, vol=9.360000e+07
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   22 and name  HE2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   22 and name  HE1)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   22 and name  HE2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   22 and name  HE1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name HG22) 3.383 1.431 1.431 weight 1.000 ! spec=NOESY, no=382, id=379, vol=9.360000e+07
    or (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name HG21)
    or (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name HG23)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   22 and name  HD1) 3.397 1.442 1.442 weight 1.000 ! spec=NOESY, no=386, id=383, vol=9.140000e+07
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   10 and name  HD1) (segid "    " and resid   11 and name  HE1) 3.404 1.448 1.448 weight 1.000 ! spec=NOESY, no=387, id=384, vol=9.030000e+07
    or (segid "    " and resid   10 and name  HD1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HE1) 3.415 1.457 1.457 weight 1.000 ! spec=NOESY, no=389, id=386, vol=8.860000e+07
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   20 and name  HD1) (segid "    " and resid   21 and name   HN) 3.418 1.461 1.461 weight 1.000 ! spec=NOESY, no=390, id=387, vol=8.800000e+07
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HE) 3.422 1.463 1.463 weight 1.000 ! spec=NOESY, no=392, id=389, vol=8.750000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid   22 and name  HD1) 3.422 1.463 1.463 weight 1.000 ! spec=NOESY, no=393, id=390, vol=8.750000e+07
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid    4 and name  HB1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name   HN) 3.424 1.466 1.466 weight 1.000 ! spec=NOESY, no=394, id=391, vol=8.710000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   22 and name  HD1) 3.436 1.475 1.475 weight 1.000 ! spec=NOESY, no=396, id=393, vol=8.540000e+07
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   12 and name   HE) 3.436 1.475 1.475 weight 1.000 ! spec=NOESY, no=397, id=394, vol=8.540000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name  HD1) 3.438 1.478 1.478 weight 1.000 ! spec=NOESY, no=398, id=395, vol=8.500000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   20 and name  HD2) 3.442 1.481 1.481 weight 1.000 ! spec=NOESY, no=400, id=397, vol=8.450000e+07
assign (segid "    " and resid   11 and name  HE1) (segid "    " and resid   10 and name   HE) 3.448 1.486 1.486 weight 1.000 ! spec=NOESY, no=401, id=398, vol=8.360000e+07
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   10 and name   HE)
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name   HE) 3.452 1.489 1.489 weight 1.000 ! spec=NOESY, no=402, id=399, vol=8.300000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   22 and name  HE1) 3.455 1.492 1.492 weight 1.000 ! spec=NOESY, no=403, id=400, vol=8.260000e+07
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   22 and name  HD1) 3.463 1.499 1.499 weight 1.000 ! spec=NOESY, no=404, id=401, vol=8.140000e+07
    or (segid "    " and resid    7 and name HD22) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HE1) 3.465 1.500 1.500 weight 1.000 ! spec=NOESY, no=405, id=402, vol=8.120000e+07
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   15 and name HG22) (segid "    " and resid   11 and name  HD1) 3.466 1.502 1.502 weight 1.000 ! spec=NOESY, no=406, id=403, vol=8.100000e+07
    or (segid "    " and resid   15 and name HG22) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   11 and name  HD2)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   11 and name  HD1)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   15 and name HG12) (segid "    " and resid   25 and name   HN) 3.470 1.505 1.505 weight 1.000 ! spec=NOESY, no=407, id=404, vol=8.050000e+07
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   25 and name   HN)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    3 and name  HE2) 3.472 1.507 1.507 weight 1.000 ! spec=NOESY, no=408, id=405, vol=8.020000e+07
    or (segid "    " and resid    7 and name HD12) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid    7 and name HD11) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid    7 and name HD13) (segid "    " and resid    3 and name  HE1)
assign (segid "    " and resid   14 and name  HG1) (segid "    " and resid   15 and name   HN) 3.475 1.509 1.509 weight 1.000 ! spec=NOESY, no=409, id=406, vol=7.980000e+07
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   25 and name   HN) 3.479 1.513 1.513 weight 1.000 ! spec=NOESY, no=410, id=407, vol=7.920000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name  HD1) 3.480 1.514 1.514 weight 1.000 ! spec=NOESY, no=411, id=408, vol=7.910000e+07
    or (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   14 and name  HG2) (segid "    " and resid   15 and name   HN) 3.483 1.517 1.517 weight 1.000 ! spec=NOESY, no=412, id=409, vol=7.860000e+07
assign (segid "    " and resid   10 and name  HD2) (segid "    " and resid   10 and name   HA) 3.492 1.524 1.524 weight 1.000 ! spec=NOESY, no=413, id=410, vol=7.750000e+07
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   15 and name HG12) 3.494 1.526 1.526 weight 1.000 ! spec=NOESY, no=415, id=412, vol=7.720000e+07
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   24 and name HG12) 3.501 1.532 1.532 weight 1.000 ! spec=NOESY, no=416, id=413, vol=7.630000e+07
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   24 and name HG11)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   24 and name HG13)
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   21 and name   HN) 3.502 1.533 1.533 weight 1.000 ! spec=NOESY, no=417, id=414, vol=7.610000e+07
assign (segid "    " and resid   15 and name HG12) (segid "    " and resid   11 and name   HN) 3.515 1.545 1.545 weight 1.000 ! spec=NOESY, no=420, id=417, vol=7.440000e+07
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   11 and name   HN)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   15 and name   HB) 3.515 1.545 1.545 weight 1.000 ! spec=NOESY, no=421, id=418, vol=7.440000e+07
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   15 and name   HB)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   15 and name   HB)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HD1) 3.516 1.545 1.545 weight 1.000 ! spec=NOESY, no=422, id=419, vol=7.430000e+07
assign (segid "    " and resid   10 and name  HD2) (segid "    " and resid   11 and name  HE1) 3.530 1.557 1.557 weight 1.000 ! spec=NOESY, no=423, id=420, vol=7.260000e+07
    or (segid "    " and resid   10 and name  HD2) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   12 and name   HE) (segid "    " and resid   10 and name   HN) 3.533 1.560 1.560 weight 1.000 ! spec=NOESY, no=424, id=421, vol=7.220000e+07
assign (segid "    " and resid    1 and name  HB1) (segid "    " and resid    2 and name   HN) 3.533 1.560 1.560 weight 1.000 ! spec=NOESY, no=425, id=422, vol=7.220000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    4 and name   HN) 3.537 1.564 1.564 weight 1.000 ! spec=NOESY, no=426, id=423, vol=7.170000e+07
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    3 and name   HN) 3.542 1.568 1.568 weight 1.000 ! spec=NOESY, no=428, id=425, vol=7.110000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   16 and name   HN) 3.554 1.579 1.579 weight 1.000 ! spec=NOESY, no=429, id=426, vol=6.970000e+07
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   10 and name  HD1) 3.557 1.582 1.582 weight 1.000 ! spec=NOESY, no=430, id=427, vol=6.930000e+07
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   10 and name  HD1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   10 and name  HD1)
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   18 and name   HN) 3.575 1.597 1.597 weight 1.000 ! spec=NOESY, no=432, id=429, vol=6.730000e+07
    or (segid "    " and resid   22 and name  HD2) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name   HN) 3.576 1.598 1.598 weight 1.000 ! spec=NOESY, no=433, id=430, vol=6.720000e+07
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   22 and name  HB2) 3.577 1.600 1.600 weight 1.000 ! spec=NOESY, no=434, id=431, vol=6.700000e+07
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   22 and name  HB2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   22 and name  HB2)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HD1) 3.593 1.613 1.613 weight 1.000 ! spec=NOESY, no=435, id=432, vol=6.530000e+07
    or (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   21 and name   HN) 3.600 1.620 1.620 weight 1.000 ! spec=NOESY, no=436, id=433, vol=6.450000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   18 and name   HN) 3.607 1.626 1.626 weight 1.000 ! spec=NOESY, no=438, id=435, vol=6.380000e+07
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HD2) 3.613 1.632 1.632 weight 1.000 ! spec=NOESY, no=439, id=436, vol=6.310000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HD2) 3.615 1.634 1.634 weight 1.000 ! spec=NOESY, no=440, id=437, vol=6.290000e+07
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   11 and name  HE1) 3.615 1.634 1.634 weight 1.000 ! spec=NOESY, no=441, id=438, vol=6.290000e+07
    or (segid "    " and resid   10 and name  HG1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   22 and name  HE1) (segid "    " and resid    4 and name   HN) 3.625 1.642 1.642 weight 1.000 ! spec=NOESY, no=442, id=439, vol=6.190000e+07
    or (segid "    " and resid   22 and name  HE2) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name   HE) 3.625 1.642 1.642 weight 1.000 ! spec=NOESY, no=443, id=440, vol=6.190000e+07
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid   15 and name   HN) 3.630 1.647 1.647 weight 1.000 ! spec=NOESY, no=444, id=441, vol=6.140000e+07
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid    5 and name  HG1) (segid "    " and resid    5 and name   HN) 3.630 1.647 1.647 weight 1.000 ! spec=NOESY, no=445, id=442, vol=6.140000e+07
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   11 and name  HD1) 3.639 1.655 1.655 weight 1.000 ! spec=NOESY, no=446, id=443, vol=6.050000e+07
    or (segid "    " and resid   10 and name  HG1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HD1) 3.647 1.662 1.662 weight 1.000 ! spec=NOESY, no=447, id=444, vol=5.970000e+07
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   10 and name   HN) 3.648 1.663 1.663 weight 1.000 ! spec=NOESY, no=448, id=445, vol=5.960000e+07
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   22 and name  HD1) 3.648 1.663 1.663 weight 1.000 ! spec=NOESY, no=449, id=446, vol=5.960000e+07
    or (segid "    " and resid   17 and name  HB2) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid    3 and name  HD2) (segid "    " and resid   22 and name  HE1) 3.652 1.667 1.667 weight 1.000 ! spec=NOESY, no=450, id=447, vol=5.920000e+07
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   22 and name  HE2)
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid   22 and name  HE1)
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   22 and name  HB2) 3.654 1.669 1.669 weight 1.000 ! spec=NOESY, no=451, id=448, vol=5.900000e+07
assign (segid "    " and resid   27 and name  HN2) (segid "    " and resid   26 and name   HN) 3.667 1.680 1.680 weight 1.000 ! spec=NOESY, no=452, id=449, vol=5.780000e+07
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name   HE) 3.669 1.682 1.682 weight 1.000 ! spec=NOESY, no=453, id=450, vol=5.760000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   25 and name   HN) 3.675 1.688 1.688 weight 1.000 ! spec=NOESY, no=454, id=451, vol=5.700000e+07
assign (segid "    " and resid   15 and name HG22) (segid "    " and resid    4 and name   HA) 3.675 1.688 1.688 weight 1.000 ! spec=NOESY, no=455, id=452, vol=5.700000e+07
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid    4 and name   HA)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid    4 and name   HA)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    4 and name   HN) 3.676 1.689 1.689 weight 1.000 ! spec=NOESY, no=456, id=453, vol=5.690000e+07
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name  HB2) 3.676 1.689 1.689 weight 1.000 ! spec=NOESY, no=457, id=454, vol=5.690000e+07
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name  HB1)
assign (segid "    " and resid    5 and name  HD2) (segid "    " and resid    5 and name   HN) 3.679 1.692 1.692 weight 1.000 ! spec=NOESY, no=458, id=455, vol=5.660000e+07
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   13 and name  HB1) 3.682 1.694 1.694 weight 1.000 ! spec=NOESY, no=459, id=456, vol=5.640000e+07
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   13 and name  HB1)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   22 and name  HB1) 3.685 1.697 1.697 weight 1.000 ! spec=NOESY, no=460, id=457, vol=5.610000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    5 and name   HN) 3.688 1.700 1.700 weight 1.000 ! spec=NOESY, no=461, id=458, vol=5.580000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    4 and name   HN) 3.693 1.704 1.704 weight 1.000 ! spec=NOESY, no=463, id=460, vol=5.540000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    9 and name   HN) 3.695 1.706 1.706 weight 1.000 ! spec=NOESY, no=465, id=462, vol=5.520000e+07
assign (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name   HE) 3.697 1.708 1.708 weight 1.000 ! spec=NOESY, no=466, id=463, vol=5.500000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    5 and name   HN) 3.709 1.720 1.720 weight 1.000 ! spec=NOESY, no=468, id=465, vol=5.390000e+07
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HE1) 3.715 1.725 1.725 weight 1.000 ! spec=NOESY, no=469, id=466, vol=5.340000e+07
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   25 and name  HD2) (segid "    " and resid   25 and name  HE1) 3.738 1.746 1.746 weight 1.000 ! spec=NOESY, no=471, id=468, vol=5.150000e+07
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   16 and name   HN) 3.755 1.762 1.762 weight 1.000 ! spec=NOESY, no=472, id=469, vol=5.010000e+07
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   10 and name  HD2) 3.757 1.765 1.765 weight 1.000 ! spec=NOESY, no=473, id=470, vol=4.990000e+07
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   10 and name  HD2)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   10 and name  HD2)
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HN) 3.760 1.767 1.767 weight 1.000 ! spec=NOESY, no=474, id=471, vol=4.970000e+07
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   13 and name  HB1) 3.762 1.770 1.770 weight 1.000 ! spec=NOESY, no=475, id=472, vol=4.950000e+07
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   22 and name  HB1) 3.778 1.784 1.784 weight 1.000 ! spec=NOESY, no=476, id=473, vol=4.830000e+07
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   22 and name  HB1)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   22 and name  HB1)
assign (segid "    " and resid   15 and name HG22) (segid "    " and resid   22 and name  HE1) 3.783 1.789 1.789 weight 1.000 ! spec=NOESY, no=477, id=474, vol=4.790000e+07
    or (segid "    " and resid   15 and name HG22) (segid "    " and resid   22 and name  HE2)
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   22 and name  HE1)
    or (segid "    " and resid   15 and name HG21) (segid "    " and resid   22 and name  HE2)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   22 and name  HE1)
    or (segid "    " and resid   15 and name HG23) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   22 and name  HD1) 3.786 1.792 1.792 weight 1.000 ! spec=NOESY, no=478, id=475, vol=4.770000e+07
    or (segid "    " and resid   21 and name  HB2) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid   21 and name  HB1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name   HN) 3.788 1.794 1.794 weight 1.000 ! spec=NOESY, no=479, id=476, vol=4.750000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   10 and name   HN) 3.805 1.809 1.809 weight 1.000 ! spec=NOESY, no=480, id=477, vol=4.630000e+07
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   22 and name  HE1) 3.809 1.813 1.813 weight 1.000 ! spec=NOESY, no=481, id=478, vol=4.600000e+07
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   14 and name  HG1) (segid "    " and resid   14 and name   HN) 3.813 1.817 1.817 weight 1.000 ! spec=NOESY, no=482, id=479, vol=4.570000e+07
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   23 and name   HN) 3.823 1.827 1.827 weight 1.000 ! spec=NOESY, no=483, id=480, vol=4.500000e+07
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   14 and name   HN) 3.824 1.828 1.828 weight 1.000 ! spec=NOESY, no=484, id=481, vol=4.490000e+07
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   22 and name  HB2) 3.826 1.829 1.829 weight 1.000 ! spec=NOESY, no=486, id=483, vol=4.480000e+07
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   22 and name  HB2)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   22 and name  HB2)
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   22 and name   HN) 3.831 1.835 1.835 weight 1.000 ! spec=NOESY, no=487, id=484, vol=4.440000e+07
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   27 and name  HN2) 3.859 1.862 1.862 weight 1.000 ! spec=NOESY, no=490, id=487, vol=4.250000e+07
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    8 and name   HN) 3.875 1.877 1.877 weight 1.000 ! spec=NOESY, no=491, id=488, vol=4.150000e+07
assign (segid "    " and resid    1 and name  HB1) (segid "    " and resid    1 and name HD21) 3.879 1.881 1.881 weight 1.000 ! spec=NOESY, no=492, id=489, vol=4.120000e+07
assign (segid "    " and resid    7 and name HD22) (segid "    " and resid   22 and name  HB1) 3.883 1.884 1.884 weight 1.000 ! spec=NOESY, no=493, id=490, vol=4.100000e+07
    or (segid "    " and resid    7 and name HD21) (segid "    " and resid   22 and name  HB1)
    or (segid "    " and resid    7 and name HD23) (segid "    " and resid   22 and name  HB1)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HE1) 3.890 1.892 1.892 weight 1.000 ! spec=NOESY, no=494, id=491, vol=4.050000e+07
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   10 and name   HN) 3.907 1.908 1.908 weight 1.000 ! spec=NOESY, no=496, id=493, vol=3.950000e+07
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    6 and name  HG1) (segid "    " and resid    3 and name   HA) 3.917 1.918 1.918 weight 1.000 ! spec=NOESY, no=498, id=495, vol=3.890000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name  HE1) 3.917 1.918 1.918 weight 1.000 ! spec=NOESY, no=499, id=496, vol=3.890000e+07
    or (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name  HE2)
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   15 and name HG12) 3.927 1.928 1.928 weight 1.000 ! spec=NOESY, no=500, id=497, vol=3.830000e+07
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   15 and name HG11)
    or (segid "    " and resid   22 and name  HB2) (segid "    " and resid   15 and name HG13)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   22 and name  HD1) 3.937 1.938 1.938 weight 1.000 ! spec=NOESY, no=501, id=498, vol=3.770000e+07
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid    7 and name HD12) (segid "    " and resid    7 and name   HA) 3.939 1.939 1.939 weight 1.000 ! spec=NOESY, no=502, id=499, vol=3.760000e+07
    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   21 and name  HD2) (segid "    " and resid   21 and name   HN) 3.948 1.948 1.948 weight 1.000 ! spec=NOESY, no=504, id=501, vol=3.710000e+07
    or (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   15 and name HG12) (segid "    " and resid   22 and name  HD1) 3.953 1.953 1.953 weight 1.000 ! spec=NOESY, no=505, id=502, vol=3.680000e+07
    or (segid "    " and resid   15 and name HG12) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   22 and name  HD2)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   22 and name  HD1)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   22 and name  HD2)
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    5 and name   HA) 3.958 1.959 1.959 weight 1.000 ! spec=NOESY, no=506, id=503, vol=3.650000e+07
    or (segid "    " and resid    8 and name  HG1) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    5 and name   HN) 3.968 1.968 1.968 weight 1.000 ! spec=NOESY, no=507, id=504, vol=3.600000e+07
assign (segid "    " and resid   10 and name  HG1) (segid "    " and resid   11 and name   HN) 3.969 1.970 1.970 weight 1.000 ! spec=NOESY, no=508, id=505, vol=3.590000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    6 and name   HN) 3.981 1.981 1.981 weight 1.000 ! spec=NOESY, no=510, id=507, vol=3.530000e+07
assign (segid "    " and resid   12 and name   HE) (segid "    " and resid   13 and name   HN) 3.986 1.986 1.986 weight 1.000 ! spec=NOESY, no=513, id=510, vol=3.500000e+07
assign (segid "    " and resid    6 and name  HG1) (segid "    " and resid    7 and name   HN) 4.002 2.002 2.002 weight 1.000 ! spec=NOESY, no=514, id=511, vol=3.420000e+07
assign (segid "    " and resid    1 and name  HB2) (segid "    " and resid    1 and name HD21) 4.006 2.006 2.006 weight 1.000 ! spec=NOESY, no=516, id=513, vol=3.400000e+07
assign (segid "    " and resid   22 and name  HE1) (segid "    " and resid   22 and name   HN) 4.034 2.034 2.034 weight 1.000 ! spec=NOESY, no=518, id=515, vol=3.260000e+07
    or (segid "    " and resid   22 and name  HE2) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   11 and name  HE1) (segid "    " and resid   11 and name   HN) 4.050 2.051 2.051 weight 1.000 ! spec=NOESY, no=519, id=516, vol=3.180000e+07
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   11 and name  HD1) 4.063 2.064 2.064 weight 1.000 ! spec=NOESY, no=520, id=517, vol=3.120000e+07
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name   HN) 4.072 2.073 2.073 weight 1.000 ! spec=NOESY, no=521, id=518, vol=3.080000e+07
assign (segid "    " and resid   15 and name HG12) (segid "    " and resid   11 and name  HE1) 4.140 2.142 2.142 weight 1.000 ! spec=NOESY, no=522, id=519, vol=2.790000e+07
    or (segid "    " and resid   15 and name HG12) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   15 and name HG11) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   15 and name HG13) (segid "    " and resid   11 and name  HE2)
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   13 and name   HN) 4.173 2.177 2.177 weight 1.000 ! spec=NOESY, no=524, id=521, vol=2.660000e+07
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    3 and name   HN) 4.225 2.231 2.231 weight 1.000 ! spec=NOESY, no=525, id=522, vol=2.470000e+07
assign (segid "    " and resid   22 and name  HE1) (segid "    " and resid   18 and name   HN) 4.228 2.234 2.234 weight 1.000 ! spec=NOESY, no=526, id=523, vol=2.460000e+07
    or (segid "    " and resid   22 and name  HE2) (segid "    " and resid   18 and name   HN)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   18 and name   HN) 4.354 2.370 2.370 weight 1.000 ! spec=NOESY, no=528, id=525, vol=2.060000e+07
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   11 and name  HD1) 4.398 2.418 2.418 weight 1.000 ! spec=NOESY, no=529, id=526, vol=1.940000e+07
    or (segid "    " and resid   10 and name  HG2) (segid "    " and resid   11 and name  HD2)
assign (segid "    " and resid   24 and name HG22) (segid "    " and resid   11 and name  HB1) 4.466 2.493 2.493 weight 1.000 ! spec=NOESY, no=530, id=527, vol=1.770000e+07
    or (segid "    " and resid   24 and name HG21) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   24 and name HG23) (segid "    " and resid   11 and name  HB1)
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    3 and name   HN) 5.152 3.318 3.318 weight 1.000 ! spec=NOESY, no=532, id=529, vol=7.510000e+06
# Restraints file 3: wsh2005_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 
!turn
assign  (resid 13 and name HN )  (resid 11 and name O )  1.9 0.1 0.1        
assign  (resid 13 and name N )  (resid 11 and name O )   2.9 0.2 0.2 
!hairpin
assign  (resid 21 and name HN )  (resid 18 and name O )  1.9 0.1 0.1        
assign  (resid 21 and name N )  (resid 18 and name O )   2.9 0.2 0.2 
assign  (resid 18 and name HN )  (resid 21 and name O )  1.9 0.1 0.1        
assign  (resid 18 and name N )  (resid 21 and name O )   2.9 0.2 0.2 
assign  (resid 23 and name HN )  (resid 16 and name O )  1.9 0.1 0.1        
assign  (resid 23 and name N )  (resid 16 and name O )   2.9 0.2 0.2 
assign  (resid 16 and name HN )  (resid 23 and name O )  1.9 0.1 0.1        
assign  (resid 16 and name N )  (resid 23 and name O )   2.9 0.2 0.2 
assign  (resid 25 and name HN )  (resid 14 and name O )  1.9 0.1 0.1       
assign  (resid 25 and name N )  (resid 14 and name O )   2.9 0.2 0.2  
assign  (resid 14 and name HN )  (resid 25 and name O )  1.9 0.1 0.1       
assign  (resid 14 and name N )  (resid 25 and name O )   2.9 0.2 0.2  

# Restraints file 4: wsh2005_dihedrals.tbl
!Phi angle constraints
!D2
 assign (resid  1  and name C ) (resid  2  and name N ) 
        (resid  2  and name CA) (resid  2  and name C )   1.0  -65.0 25.0 2
!K3
 assign (resid  2  and name C ) (resid  3  and name N ) 
        (resid  3  and name CA) (resid  3  and name C )   1.0  -65.0 25.0 2
!C4
 assign (resid  3  and name C ) (resid  4  and name N ) 
        (resid  4  and name CA) (resid  4  and name C )   1.0  -65.0 25.0 2
!K5
 assign (resid  4  and name C ) (resid  5  and name N ) 
        (resid  5  and name CA) (resid  5  and name C )   1.0  -65.0 25.0 2
!E6
 assign (resid  5  and name C ) (resid  6  and name N ) 
        (resid  6  and name CA) (resid  6  and name C )   1.0  -65.0 25.0 2
!L7
 assign (resid  6  and name C ) (resid  7  and name N ) 
        (resid  7  and name CA) (resid  7  and name C )   1.0  -65.0 25.0 2
!K8
 assign (resid  7  and name C ) (resid  8  and name N ) 
        (resid  8  and name CA) (resid  8  and name C )   1.0  -65.0 25.0 2

!C14
 assign (resid 13  and name C ) (resid 14  and name N ) 
        (resid 14  and name CA) (resid 14  and name C )   1.0  -120.0 40.0 2
!E15
 assign (resid 14  and name C ) (resid 15  and name N ) 
        (resid 15  and name CA) (resid 15  and name C )   1.0  -120.0 40.0 2
!V16
 assign (resid 15  and name C ) (resid 16  and name N ) 
        (resid 16  and name CA) (resid 16  and name C )   1.0  -120.0 40.0 2
!R17
 assign (resid 16  and name C ) (resid 17  and name N ) 
        (resid 17  and name CA) (resid 17  and name C )   1.0  -120.0 40.0 2
!C18
 assign (resid 17  and name C ) (resid 18  and name N ) 
        (resid 18  and name CA) (resid 18  and name C )   1.0  -120.0 40.0 2
!R22
 assign (resid 21  and name C ) (resid 22  and name N ) 
        (resid 22  and name CA) (resid 22  and name C )   1.0  -120.0 40.0 2
!Y23
 assign (resid 22  and name C ) (resid 23  and name N ) 
        (resid 23  and name CA) (resid 23  and name C )   1.0  -120.0 40.0 2
!E24
 assign (resid 23  and name C ) (resid 24  and name N ) 
        (resid 24  and name CA) (resid 24  and name C )   1.0  -120.0 40.0 2
!H26
 assign (resid 25  and name C ) (resid 26  and name N ) 
        (resid 26  and name CA) (resid 26  and name C )   1.0  -120.0 40.0 2
!C27
 assign (resid 26  and name C ) (resid 27  and name N ) 
        (resid 27  and name CA) (resid 27  and name C )   1.0  -120.0 40.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN   1           HT1      ASN   1 -10.532   7.020  -0.928
    2    H2   ASN   1           HT2      ASN   1  -9.451   7.713  -2.029
    3    H3   ASN   1           HT3      ASN   1  -9.134   7.784  -0.371
    4    HA   ASN   1           HA       ASN   1  -8.815   5.447  -0.241
    5    HB2  ASN   1           HB2      ASN   1  -9.517   5.496  -3.181
    6    HB3  ASN   1           HB1      ASN   1  -8.853   4.097  -2.345
    7   HD21  ASN   1          HD21      ASN   1 -10.160   2.908  -0.981
    8   HD22  ASN   1          HD22      ASN   1 -11.871   3.145  -0.885
    9    H    ASP   2           HN       ASP   2  -7.351   7.918  -0.637
   10    HA   ASP   2           HA       ASP   2  -5.206   7.227  -2.475
   11    HB2  ASP   2           HB2      ASP   2  -5.705   9.692  -0.816
   12    HB3  ASP   2           HB1      ASP   2  -4.272   9.459  -1.802
   13    H    LYS   3           HN       LYS   3  -5.921   6.515   0.679
   14    HA   LYS   3           HA       LYS   3  -3.461   6.836   1.980
   15    HB2  LYS   3           HB2      LYS   3  -5.517   6.194   3.169
   16    HB3  LYS   3           HB1      LYS   3  -5.508   4.640   2.351
   17    HG2  LYS   3           HG2      LYS   3  -3.422   4.050   3.451
   18    HG3  LYS   3           HG1      LYS   3  -3.391   5.620   4.252
   19    HD2  LYS   3           HD2      LYS   3  -5.482   5.077   5.399
   20    HD3  LYS   3           HD1      LYS   3  -5.520   3.510   4.589
   21    HE2  LYS   3           HE2      LYS   3  -4.662   3.338   6.881
   22    HE3  LYS   3           HE1      LYS   3  -3.460   2.859   5.689
   23    HZ1  LYS   3           HZ1      LYS   3  -3.584   5.505   7.026
   24    HZ2  LYS   3           HZ2      LYS   3  -2.407   5.005   5.920
   25    HZ3  LYS   3           HZ3      LYS   3  -2.519   4.256   7.431
   26    H    CYS   4           HN       CYS   4  -4.619   4.517  -0.322
   27    HA   CYS   4           HA       CYS   4  -2.595   2.606  -0.236
   28    HB2  CYS   4           HB2      CYS   4  -4.608   2.337  -1.590
   29    HB3  CYS   4           HB1      CYS   4  -4.128   3.689  -2.608
   30    H    LYS   5           HN       LYS   5  -2.769   5.676  -1.989
   31    HA   LYS   5           HA       LYS   5  -0.236   5.447  -3.247
   32    HB2  LYS   5           HB2      LYS   5  -1.851   7.925  -2.603
   33    HB3  LYS   5           HB1      LYS   5  -0.465   7.871  -3.679
   34    HG2  LYS   5           HG2      LYS   5  -1.727   6.322  -5.150
   35    HG3  LYS   5           HG1      LYS   5  -3.129   6.531  -4.099
   36    HD2  LYS   5           HD2      LYS   5  -3.028   8.968  -4.516
   37    HD3  LYS   5           HD1      LYS   5  -1.708   8.691  -5.650
   38    HE2  LYS   5           HE2      LYS   5  -3.697   8.899  -6.929
   39    HE3  LYS   5           HE1      LYS   5  -3.256   7.193  -6.935
   40    HZ1  LYS   5           HZ1      LYS   5  -4.908   6.765  -5.271
   41    HZ2  LYS   5           HZ2      LYS   5  -5.640   7.574  -6.559
   42    HZ3  LYS   5           HZ3      LYS   5  -5.278   8.411  -5.130
   43    H    GLU   6           HN       GLU   6  -1.394   6.923  -0.271
   44    HA   GLU   6           HA       GLU   6   0.960   8.228   0.507
   45    HB2  GLU   6           HB2      GLU   6  -1.241   7.009   2.181
   46    HB3  GLU   6           HB1      GLU   6   0.015   8.057   2.819
   47    HG2  GLU   6           HG2      GLU   6  -0.763   9.882   1.430
   48    HG3  GLU   6           HG1      GLU   6  -1.982   8.839   0.707
   49    H    LEU   7           HN       LEU   7  -0.204   4.959   1.177
   50    HA   LEU   7           HA       LEU   7   1.996   4.137   2.740
   51    HB2  LEU   7           HB2      LEU   7   0.121   2.510   1.024
   52    HB3  LEU   7           HB1      LEU   7   1.234   1.841   2.200
   53    HG   LEU   7           HG       LEU   7  -1.012   3.733   2.904
   54   HD11  LEU   7          HD11      LEU   7  -0.897   0.731   3.138
   55   HD12  LEU   7          HD12      LEU   7  -1.890   1.637   1.999
   56   HD13  LEU   7          HD13      LEU   7  -2.191   1.770   3.730
   57   HD21  LEU   7          HD21      LEU   7  -0.589   2.965   5.185
   58   HD22  LEU   7          HD22      LEU   7   0.848   3.721   4.495
   59   HD23  LEU   7          HD23      LEU   7   0.740   1.963   4.607
   60    H    LYS   8           HN       LYS   8   1.307   3.925  -0.725
   61    HA   LYS   8           HA       LYS   8   3.593   2.442  -1.424
   62    HB2  LYS   8           HB2      LYS   8   1.577   2.840  -2.878
   63    HB3  LYS   8           HB1      LYS   8   2.185   4.465  -3.171
   64    HG2  LYS   8           HG2      LYS   8   4.252   3.478  -4.098
   65    HG3  LYS   8           HG1      LYS   8   3.540   1.878  -3.897
   66    HD2  LYS   8           HD2      LYS   8   3.211   2.518  -6.163
   67    HD3  LYS   8           HD1      LYS   8   1.649   2.642  -5.355
   68    HE2  LYS   8           HE2      LYS   8   1.864   5.028  -5.184
   69    HE3  LYS   8           HE1      LYS   8   3.515   4.966  -5.801
   70    HZ1  LYS   8           HZ1      LYS   8   1.075   4.211  -7.318
   71    HZ2  LYS   8           HZ2      LYS   8   2.658   4.163  -7.909
   72    HZ3  LYS   8           HZ3      LYS   8   1.951   5.644  -7.510
   73    H    LYS   9           HN       LYS   9   3.087   5.873  -0.911
   74    HA   LYS   9           HA       LYS   9   5.664   6.646  -1.889
   75    HB2  LYS   9           HB2      LYS   9   3.733   8.085  -0.056
   76    HB3  LYS   9           HB1      LYS   9   5.181   8.804  -0.745
   77    HG2  LYS   9           HG2      LYS   9   4.290   8.570  -2.975
   78    HG3  LYS   9           HG1      LYS   9   2.878   7.715  -2.351
   79    HD2  LYS   9           HD2      LYS   9   2.268   9.733  -1.060
   80    HD3  LYS   9           HD1      LYS   9   3.642  10.577  -1.776
   81    HE2  LYS   9           HE2      LYS   9   2.671  10.183  -4.016
   82    HE3  LYS   9           HE1      LYS   9   1.272   9.434  -3.248
   83    HZ1  LYS   9           HZ1      LYS   9   0.841  11.543  -2.114
   84    HZ2  LYS   9           HZ2      LYS   9   0.805  11.723  -3.792
   85    HZ3  LYS   9           HZ3      LYS   9   2.149  12.252  -2.915
   86    H    ARG  10           HN       ARG  10   4.286   6.007   1.300
   87    HA   ARG  10           HA       ARG  10   6.540   6.680   2.826
   88    HB2  ARG  10           HB2      ARG  10   4.353   6.444   3.835
   89    HB3  ARG  10           HB1      ARG  10   4.292   4.745   3.393
   90    HG2  ARG  10           HG2      ARG  10   6.177   4.287   4.887
   91    HG3  ARG  10           HG1      ARG  10   6.216   5.993   5.345
   92    HD2  ARG  10           HD2      ARG  10   4.021   5.834   6.319
   93    HD3  ARG  10           HD1      ARG  10   3.829   4.188   5.722
   94    HE   ARG  10           HE       ARG  10   6.006   3.935   7.247
   95   HH11  ARG  10          HH11      ARG  10   3.002   5.212   9.590
   96   HH12  ARG  10          HH12      ARG  10   2.938   5.495   7.881
   97   HH21  ARG  10          HH21      ARG  10   6.092   3.561   9.496
   98   HH22  ARG  10          HH22      ARG  10   4.795   4.107  10.507
   99    H    TYR  11           HN       TYR  11   5.430   3.513   1.642
  100    HA   TYR  11           HA       TYR  11   7.790   2.234   2.733
  101    HB2  TYR  11           HB2      TYR  11   5.368   1.180   1.288
  102    HB3  TYR  11           HB1      TYR  11   6.713   0.155   1.770
  103    HD1  TYR  11           HD1      TYR  11   7.166  -0.275   4.128
  104    HD2  TYR  11           HD2      TYR  11   3.811   2.043   2.920
  105    HE1  TYR  11           HE1      TYR  11   6.188  -0.533   6.370
  106    HE2  TYR  11           HE2      TYR  11   2.828   1.795   5.156
  107    HH   TYR  11           HH       TYR  11   2.941   0.393   7.083
  108    H    ORN  12           HT1      ORN  12  11.676   0.458  -4.257
  109    HA   ORN  12           HA       ORN  12  10.420   1.530  -2.519
  110    HB2  ORN  12           HB1      ORN  12   8.214   1.691  -4.584
  111    HB3  ORN  12           HB2      ORN  12   9.195   3.062  -4.084
  112    HG2  ORN  12           HG1      ORN  12   7.516   1.436  -2.194
  113    HG3  ORN  12           HG2      ORN  12   6.959   2.909  -2.986
  114    HD2  ORN  12           HD1      ORN  12   8.518   4.239  -1.857
  115    HD3  ORN  12           HD2      ORN  12   9.488   2.852  -1.378
  116    HE1  ORN  12           HE       ORN  12   7.112   3.848  -0.072
  117    H    CYS  13           HN       CYS  13   9.231   0.190  -1.158
  118    HA   CYS  13           HA       CYS  13   9.060  -2.552  -1.886
  119    HB2  CYS  13           HB2      CYS  13   7.911  -1.083   0.498
  120    HB3  CYS  13           HB1      CYS  13   8.037  -2.831   0.346
  121    H    GLU  14           HN       GLU  14   7.226  -3.826  -2.261
  122    HA   GLU  14           HA       GLU  14   5.257  -2.309  -3.751
  123    HB2  GLU  14           HB2      GLU  14   5.797  -5.260  -3.511
  124    HB3  GLU  14           HB1      GLU  14   4.421  -4.626  -4.395
  125    HG2  GLU  14           HG2      GLU  14   6.024  -3.326  -5.798
  126    HG3  GLU  14           HG1      GLU  14   7.334  -4.188  -4.991
  127    H    VAL  15           HN       VAL  15   3.732  -1.414  -2.581
  128    HA   VAL  15           HA       VAL  15   2.403  -2.890  -0.463
  129    HB   VAL  15           HB       VAL  15   1.851  -0.121  -1.548
  130   HG11  VAL  15          HG11      VAL  15   0.534   0.188   0.511
  131   HG12  VAL  15          HG12      VAL  15   0.781  -1.515   0.901
  132   HG13  VAL  15          HG13      VAL  15  -0.136  -1.065  -0.536
  133   HG21  VAL  15          HG21      VAL  15   2.915   0.667   0.522
  134   HG22  VAL  15          HG22      VAL  15   4.032  -0.244  -0.494
  135   HG23  VAL  15          HG23      VAL  15   3.321  -0.999   0.932
  136    H    ARG  16           HN       ARG  16   0.948  -4.341  -1.054
  137    HA   ARG  16           HA       ARG  16  -0.561  -4.009  -3.515
  138    HB2  ARG  16           HB2      ARG  16   0.298  -6.222  -3.102
  139    HB3  ARG  16           HB1      ARG  16  -0.435  -6.256  -1.506
  140    HG2  ARG  16           HG2      ARG  16  -2.667  -6.098  -2.616
  141    HG3  ARG  16           HG1      ARG  16  -1.837  -6.303  -4.159
  142    HD2  ARG  16           HD2      ARG  16  -1.068  -8.467  -3.547
  143    HD3  ARG  16           HD1      ARG  16  -1.591  -8.249  -1.878
  144    HE   ARG  16           HE       ARG  16  -3.819  -7.988  -3.566
  145   HH11  ARG  16          HH11      ARG  16  -1.568 -10.450  -2.509
  146   HH12  ARG  16          HH12      ARG  16  -2.724 -11.736  -2.625
  147   HH21  ARG  16          HH21      ARG  16  -4.880 -11.289  -3.307
  148   HH22  ARG  16          HH22      ARG  16  -5.352  -9.661  -3.702
  149    H    CYS  17           HN       CYS  17  -2.162  -2.610  -3.332
  150    HA   CYS  17           HA       CYS  17  -3.821  -2.523  -0.959
  151    HB2  CYS  17           HB2      CYS  17  -4.064  -0.999  -3.559
  152    HB3  CYS  17           HB1      CYS  17  -4.913  -0.640  -2.059
  153    H    ASP  18           HN       ASP  18  -4.937  -4.408  -0.904
  154    HA   ASP  18           HA       ASP  18  -6.587  -5.092  -3.248
  155    HB2  ASP  18           HB2      ASP  18  -4.908  -6.807  -2.432
  156    HB3  ASP  18           HB1      ASP  18  -5.851  -6.918  -0.953
  157    HA   DPR  19           HA       DPR  19 -10.338  -4.530  -0.877
  158    HB2  DPR  19           HB1      DPR  19 -10.235  -1.749  -1.840
  159    HB3  DPR  19           HB2      DPR  19 -11.498  -2.965  -2.042
  160    HG2  DPR  19           HG1      DPR  19  -9.920  -2.228  -4.079
  161    HG3  DPR  19           HG2      DPR  19 -10.491  -3.896  -3.897
  162    HD2  DPR  19           HD1      DPR  19  -7.804  -2.733  -3.282
  163    HD3  DPR  19           HD2      DPR  19  -8.226  -4.314  -3.975
  164    HA   PRO  20           HA       PRO  20  -9.269  -1.808   2.549
  165    HB2  PRO  20           HB2      PRO  20 -10.132  -3.385   4.508
  166    HB3  PRO  20           HB1      PRO  20 -11.280  -2.595   3.420
  167    HG2  PRO  20           HG2      PRO  20 -10.297  -5.419   3.408
  168    HG3  PRO  20           HG1      PRO  20 -11.938  -4.805   3.141
  169    HD2  PRO  20           HD2      PRO  20 -10.167  -5.513   1.130
  170    HD3  PRO  20           HD1      PRO  20 -11.551  -4.424   0.931
  171    H    ARG  21           HN       ARG  21  -7.746  -4.504   1.417
  172    HA   ARG  21           HA       ARG  21  -6.019  -4.830   3.766
  173    HB2  ARG  21           HB2      ARG  21  -6.192  -6.459   1.227
  174    HB3  ARG  21           HB1      ARG  21  -5.098  -6.788   2.561
  175    HG2  ARG  21           HG2      ARG  21  -7.044  -7.136   4.031
  176    HG3  ARG  21           HG1      ARG  21  -8.107  -6.893   2.644
  177    HD2  ARG  21           HD2      ARG  21  -6.001  -9.038   2.905
  178    HD3  ARG  21           HD1      ARG  21  -7.735  -9.275   3.112
  179    HE   ARG  21           HE       ARG  21  -7.419  -8.183   0.595
  180   HH11  ARG  21          HH11      ARG  21  -6.298 -11.057   2.257
  181   HH12  ARG  21          HH12      ARG  21  -6.253 -12.023   0.815
  182   HH21  ARG  21          HH21      ARG  21  -7.353  -9.452  -1.301
  183   HH22  ARG  21          HH22      ARG  21  -6.838 -11.115  -1.204
  184    H    TYR  22           HN       TYR  22  -3.911  -4.314   3.749
  185    HA   TYR  22           HA       TYR  22  -2.750  -3.317   1.245
  186    HB2  TYR  22           HB2      TYR  22  -2.359  -2.068   3.975
  187    HB3  TYR  22           HB1      TYR  22  -1.630  -1.530   2.466
  188    HD1  TYR  22           HD1      TYR  22  -3.076  -0.578   0.677
  189    HD2  TYR  22           HD2      TYR  22  -4.557  -1.417   4.572
  190    HE1  TYR  22           HE1      TYR  22  -5.013   0.861   0.243
  191    HE2  TYR  22           HE2      TYR  22  -6.499   0.022   4.152
  192    HH   TYR  22           HH       TYR  22  -7.476   0.976   1.205
  193    H    GLU  23           HN       GLU  23  -1.624  -5.155   0.889
  194    HA   GLU  23           HA       GLU  23  -0.064  -6.351   3.036
  195    HB2  GLU  23           HB2      GLU  23  -0.358  -7.226   0.160
  196    HB3  GLU  23           HB1      GLU  23   0.355  -8.158   1.464
  197    HG2  GLU  23           HG2      GLU  23  -2.525  -7.296   1.316
  198    HG3  GLU  23           HG1      GLU  23  -1.912  -8.899   0.915
  199    H    VAL  24           HN       VAL  24   1.864  -5.509   3.425
  200    HA   VAL  24           HA       VAL  24   3.197  -4.011   1.320
  201    HB   VAL  24           HB       VAL  24   3.900  -4.232   4.252
  202   HG11  VAL  24          HG11      VAL  24   4.918  -2.369   2.107
  203   HG12  VAL  24          HG12      VAL  24   5.827  -3.665   2.886
  204   HG13  VAL  24          HG13      VAL  24   5.308  -2.265   3.824
  205   HG21  VAL  24          HG21      VAL  24   2.447  -2.058   2.744
  206   HG22  VAL  24          HG22      VAL  24   2.953  -1.968   4.430
  207   HG23  VAL  24          HG23      VAL  24   1.741  -3.151   3.935
  208    H    HIS  25           HN       HIS  25   4.455  -5.146   0.041
  209    HA   HIS  25           HA       HIS  25   6.124  -7.298   1.100
  210    HB2  HIS  25           HB2      HIS  25   4.900  -7.537  -1.092
  211    HB3  HIS  25           HB1      HIS  25   5.914  -6.257  -1.733
  212    HD1  HIS  25           HD1      HIS  25   5.694  -9.796  -1.648
  213    HD2  HIS  25           HD2      HIS  25   8.822  -7.071  -1.480
  214    HE1  HIS  25           HE1      HIS  25   7.750 -11.082  -2.303
  215    HE2  HIS  25           HE2      HIS  25   9.600  -9.379  -2.341
  216    H    CYS  26           HN       CYS  26   7.676  -6.291   2.299
  217    HA   CYS  26           HA       CYS  26   9.438  -4.425   0.880
  218    HB2  CYS  26           HB2      CYS  26   7.755  -3.266   2.421
  219    HB3  CYS  26           HB1      CYS  26   8.617  -4.020   3.754
  220    HN1  NH2  27           HN1      NH2  27  10.938  -6.053   0.653
  221    HN2  NH2  27           HN2      NH2  27  11.809  -6.727   1.983
  Start of MODEL    2
    1    H1   ASN   1           HT1      ASN   1  -9.837   7.551  -2.207
    2    H2   ASN   1           HT2      ASN   1  -9.402   8.290  -0.750
    3    H3   ASN   1           HT3      ASN   1 -10.755   7.286  -0.813
    4    HA   ASN   1           HA       ASN   1  -8.898   6.171   0.239
    5    HB2  ASN   1           HB2      ASN   1  -9.616   5.080  -2.495
    6    HB3  ASN   1           HB1      ASN   1  -8.875   4.147  -1.200
    7   HD21  ASN   1          HD21      ASN   1 -10.117   3.548   0.576
    8   HD22  ASN   1          HD22      ASN   1 -11.844   3.643   0.557
    9    H    ASP   2           HN       ASP   2  -7.149   7.829   0.030
   10    HA   ASP   2           HA       ASP   2  -5.332   7.408  -2.214
   11    HB2  ASP   2           HB2      ASP   2  -5.232   9.355   0.092
   12    HB3  ASP   2           HB1      ASP   2  -4.019   9.257  -1.175
   13    H    LYS   3           HN       LYS   3  -5.872   5.602   0.294
   14    HA   LYS   3           HA       LYS   3  -3.586   5.607   1.890
   15    HB2  LYS   3           HB2      LYS   3  -5.469   3.338   1.267
   16    HB3  LYS   3           HB1      LYS   3  -4.224   3.273   2.504
   17    HG2  LYS   3           HG2      LYS   3  -5.341   5.304   3.528
   18    HG3  LYS   3           HG1      LYS   3  -6.688   4.983   2.434
   19    HD2  LYS   3           HD2      LYS   3  -6.831   2.689   3.365
   20    HD3  LYS   3           HD1      LYS   3  -5.567   3.111   4.520
   21    HE2  LYS   3           HE2      LYS   3  -8.290   4.385   4.285
   22    HE3  LYS   3           HE1      LYS   3  -7.747   3.292   5.557
   23    HZ1  LYS   3           HZ1      LYS   3  -6.067   4.954   6.164
   24    HZ2  LYS   3           HZ2      LYS   3  -7.639   5.546   6.323
   25    HZ3  LYS   3           HZ3      LYS   3  -6.694   6.010   5.003
   26    H    CYS   4           HN       CYS   4  -4.222   3.919  -1.143
   27    HA   CYS   4           HA       CYS   4  -1.992   2.204  -1.048
   28    HB2  CYS   4           HB2      CYS   4  -3.425   3.363  -3.443
   29    HB3  CYS   4           HB1      CYS   4  -2.249   2.060  -3.516
   30    H    LYS   5           HN       LYS   5  -2.428   5.483  -2.223
   31    HA   LYS   5           HA       LYS   5   0.204   5.738  -3.287
   32    HB2  LYS   5           HB2      LYS   5  -1.879   7.783  -2.508
   33    HB3  LYS   5           HB1      LYS   5  -0.337   8.206  -3.240
   34    HG2  LYS   5           HG2      LYS   5  -0.908   6.924  -5.226
   35    HG3  LYS   5           HG1      LYS   5  -2.439   6.448  -4.491
   36    HD2  LYS   5           HD2      LYS   5  -3.164   8.757  -4.431
   37    HD3  LYS   5           HD1      LYS   5  -1.604   9.286  -5.063
   38    HE2  LYS   5           HE2      LYS   5  -3.574   7.511  -6.500
   39    HE3  LYS   5           HE1      LYS   5  -3.332   9.230  -6.805
   40    HZ1  LYS   5           HZ1      LYS   5  -1.345   7.065  -7.217
   41    HZ2  LYS   5           HZ2      LYS   5  -1.015   8.710  -7.401
   42    HZ3  LYS   5           HZ3      LYS   5  -2.132   7.955  -8.418
   43    H    GLU   6           HN       GLU   6  -1.334   6.620  -0.222
   44    HA   GLU   6           HA       GLU   6   0.857   8.008   0.863
   45    HB2  GLU   6           HB2      GLU   6  -1.334   6.481   2.283
   46    HB3  GLU   6           HB1      GLU   6  -0.216   7.587   3.067
   47    HG2  GLU   6           HG2      GLU   6  -1.093   9.377   1.528
   48    HG3  GLU   6           HG1      GLU   6  -2.349   8.240   1.055
   49    H    LEU   7           HN       LEU   7  -0.095   4.625   1.025
   50    HA   LEU   7           HA       LEU   7   2.018   3.812   2.737
   51    HB2  LEU   7           HB2      LEU   7   0.251   2.254   0.854
   52    HB3  LEU   7           HB1      LEU   7   1.369   1.516   1.983
   53    HG   LEU   7           HG       LEU   7  -0.865   3.334   2.879
   54   HD11  LEU   7          HD11      LEU   7  -2.134   1.322   3.424
   55   HD12  LEU   7          HD12      LEU   7  -0.885   0.325   2.678
   56   HD13  LEU   7          HD13      LEU   7  -1.837   1.432   1.689
   57   HD21  LEU   7          HD21      LEU   7   0.971   3.007   4.458
   58   HD22  LEU   7          HD22      LEU   7   0.780   1.258   4.321
   59   HD23  LEU   7          HD23      LEU   7  -0.508   2.235   5.026
   60    H    LYS   8           HN       LYS   8   1.550   3.695  -0.785
   61    HA   LYS   8           HA       LYS   8   3.949   2.324  -1.349
   62    HB2  LYS   8           HB2      LYS   8   2.045   2.528  -2.923
   63    HB3  LYS   8           HB1      LYS   8   2.419   4.232  -3.125
   64    HG2  LYS   8           HG2      LYS   8   4.541   3.692  -4.128
   65    HG3  LYS   8           HG1      LYS   8   4.280   1.973  -3.827
   66    HD2  LYS   8           HD2      LYS   8   2.310   2.030  -5.291
   67    HD3  LYS   8           HD1      LYS   8   2.603   3.741  -5.605
   68    HE2  LYS   8           HE2      LYS   8   3.454   2.386  -7.428
   69    HE3  LYS   8           HE1      LYS   8   4.779   3.182  -6.581
   70    HZ1  LYS   8           HZ1      LYS   8   5.275   1.140  -5.444
   71    HZ2  LYS   8           HZ2      LYS   8   5.241   0.845  -7.106
   72    HZ3  LYS   8           HZ3      LYS   8   3.942   0.368  -6.139
   73    H    LYS   9           HN       LYS   9   3.210   5.716  -0.880
   74    HA   LYS   9           HA       LYS   9   5.788   6.664  -1.654
   75    HB2  LYS   9           HB2      LYS   9   3.550   7.856  -0.038
   76    HB3  LYS   9           HB1      LYS   9   5.083   8.687  -0.237
   77    HG2  LYS   9           HG2      LYS   9   3.228   7.859  -2.461
   78    HG3  LYS   9           HG1      LYS   9   3.410   9.487  -1.814
   79    HD2  LYS   9           HD2      LYS   9   5.510   7.866  -3.246
   80    HD3  LYS   9           HD1      LYS   9   4.669   9.286  -3.864
   81    HE2  LYS   9           HE2      LYS   9   6.566   9.203  -1.521
   82    HE3  LYS   9           HE1      LYS   9   6.901   9.879  -3.112
   83    HZ1  LYS   9           HZ1      LYS   9   4.877  10.877  -1.181
   84    HZ2  LYS   9           HZ2      LYS   9   5.141  11.507  -2.726
   85    HZ3  LYS   9           HZ3      LYS   9   6.354  11.615  -1.554
   86    H    ARG  10           HN       ARG  10   4.273   5.891   1.450
   87    HA   ARG  10           HA       ARG  10   6.388   6.643   3.108
   88    HB2  ARG  10           HB2      ARG  10   4.219   6.231   4.038
   89    HB3  ARG  10           HB1      ARG  10   4.231   4.567   3.473
   90    HG2  ARG  10           HG2      ARG  10   6.061   4.050   4.998
   91    HG3  ARG  10           HG1      ARG  10   6.059   5.721   5.566
   92    HD2  ARG  10           HD2      ARG  10   3.919   5.478   6.551
   93    HD3  ARG  10           HD1      ARG  10   3.636   3.942   5.736
   94    HE   ARG  10           HE       ARG  10   5.764   3.325   7.189
   95   HH11  ARG  10          HH11      ARG  10   2.960   4.615   9.759
   96   HH12  ARG  10          HH12      ARG  10   2.939   5.169   8.116
   97   HH21  ARG  10          HH21      ARG  10   5.804   2.605   9.359
   98   HH22  ARG  10          HH22      ARG  10   4.595   3.166  10.467
   99    H    TYR  11           HN       TYR  11   5.690   3.518   1.582
  100    HA   TYR  11           HA       TYR  11   8.033   2.369   2.869
  101    HB2  TYR  11           HB2      TYR  11   5.823   1.170   1.212
  102    HB3  TYR  11           HB1      TYR  11   7.209   0.245   1.779
  103    HD1  TYR  11           HD1      TYR  11   7.564  -0.096   4.198
  104    HD2  TYR  11           HD2      TYR  11   4.046   1.771   2.703
  105    HE1  TYR  11           HE1      TYR  11   6.455  -0.462   6.363
  106    HE2  TYR  11           HE2      TYR  11   2.933   1.411   4.861
  107    HH   TYR  11           HH       TYR  11   3.089  -0.018   6.806
  108    H    ORN  12           HT1      ORN  12  12.260   2.627  -4.053
  109    HA   ORN  12           HA       ORN  12  11.101   1.950  -2.042
  110    HB2  ORN  12           HB1      ORN  12   9.195   2.309  -4.360
  111    HB3  ORN  12           HB2      ORN  12  10.133   3.619  -3.662
  112    HG2  ORN  12           HG1      ORN  12   8.179   1.944  -2.103
  113    HG3  ORN  12           HG2      ORN  12   7.777   3.483  -2.861
  114    HD2  ORN  12           HD1      ORN  12   9.156   4.689  -1.434
  115    HD3  ORN  12           HD2      ORN  12  10.096   3.274  -0.983
  116    HE1  ORN  12           HE       ORN  12   7.614   4.153   0.190
  117    H    CYS  13           HN       CYS  13   9.461   0.640  -1.080
  118    HA   CYS  13           HA       CYS  13   9.371  -2.047  -2.166
  119    HB2  CYS  13           HB2      CYS  13   8.388  -0.877   0.441
  120    HB3  CYS  13           HB1      CYS  13   8.321  -2.587   0.027
  121    H    GLU  14           HN       GLU  14   7.317  -3.230  -2.283
  122    HA   GLU  14           HA       GLU  14   5.428  -1.466  -3.668
  123    HB2  GLU  14           HB2      GLU  14   5.980  -4.419  -3.893
  124    HB3  GLU  14           HB1      GLU  14   4.627  -3.633  -4.698
  125    HG2  GLU  14           HG2      GLU  14   7.542  -2.996  -5.113
  126    HG3  GLU  14           HG1      GLU  14   6.515  -3.926  -6.202
  127    H    VAL  15           HN       VAL  15   3.538  -1.042  -2.854
  128    HA   VAL  15           HA       VAL  15   2.473  -2.757  -0.728
  129    HB   VAL  15           HB       VAL  15   1.734   0.079  -1.471
  130   HG11  VAL  15          HG11      VAL  15   0.782  -1.618   0.836
  131   HG12  VAL  15          HG12      VAL  15  -0.173  -1.173  -0.579
  132   HG13  VAL  15          HG13      VAL  15   0.368   0.071   0.546
  133   HG21  VAL  15          HG21      VAL  15   3.221  -0.990   0.925
  134   HG22  VAL  15          HG22      VAL  15   2.792   0.694   0.635
  135   HG23  VAL  15          HG23      VAL  15   3.943  -0.118  -0.426
  136    H    ARG  16           HN       ARG  16   0.742  -3.956  -1.103
  137    HA   ARG  16           HA       ARG  16  -0.632  -3.624  -3.683
  138    HB2  ARG  16           HB2      ARG  16  -0.458  -6.069  -1.919
  139    HB3  ARG  16           HB1      ARG  16  -1.238  -5.984  -3.489
  140    HG2  ARG  16           HG2      ARG  16   1.701  -5.568  -2.982
  141    HG3  ARG  16           HG1      ARG  16   0.966  -7.046  -3.596
  142    HD2  ARG  16           HD2      ARG  16   0.846  -4.350  -4.946
  143    HD3  ARG  16           HD1      ARG  16   1.946  -5.656  -5.383
  144    HE   ARG  16           HE       ARG  16  -0.789  -6.488  -5.416
  145   HH11  ARG  16          HH11      ARG  16   1.641  -4.776  -7.260
  146   HH12  ARG  16          HH12      ARG  16   0.928  -5.162  -8.793
  147   HH21  ARG  16          HH21      ARG  16  -1.003  -6.407  -8.885
  148   HH22  ARG  16          HH22      ARG  16  -1.735  -6.991  -7.423
  149    H    CYS  17           HN       CYS  17  -2.833  -3.514  -3.768
  150    HA   CYS  17           HA       CYS  17  -4.148  -3.061  -1.177
  151    HB2  CYS  17           HB2      CYS  17  -4.774  -1.756  -3.828
  152    HB3  CYS  17           HB1      CYS  17  -5.511  -1.375  -2.277
  153    H    ASP  18           HN       ASP  18  -5.626  -4.548  -0.739
  154    HA   ASP  18           HA       ASP  18  -7.326  -5.487  -2.950
  155    HB2  ASP  18           HB2      ASP  18  -5.823  -7.299  -2.069
  156    HB3  ASP  18           HB1      ASP  18  -6.605  -7.114  -0.503
  157    HA   DPR  19           HA       DPR  19 -10.904  -4.228  -0.642
  158    HB2  DPR  19           HB1      DPR  19 -10.310  -1.504  -1.602
  159    HB3  DPR  19           HB2      DPR  19 -11.767  -2.478  -1.797
  160    HG2  DPR  19           HG1      DPR  19 -10.074  -2.046  -3.832
  161    HG3  DPR  19           HG2      DPR  19 -10.948  -3.574  -3.647
  162    HD2  DPR  19           HD1      DPR  19  -8.089  -2.944  -3.079
  163    HD3  DPR  19           HD2      DPR  19  -8.821  -4.438  -3.696
  164    HA   PRO  20           HA       PRO  20  -9.693  -1.694   2.834
  165    HB2  PRO  20           HB2      PRO  20 -10.440  -3.379   4.767
  166    HB3  PRO  20           HB1      PRO  20 -11.632  -2.548   3.761
  167    HG2  PRO  20           HG2      PRO  20 -10.603  -5.352   3.553
  168    HG3  PRO  20           HG1      PRO  20 -12.268  -4.761   3.418
  169    HD2  PRO  20           HD2      PRO  20 -10.674  -5.335   1.265
  170    HD3  PRO  20           HD1      PRO  20 -12.006  -4.164   1.228
  171    H    ARG  21           HN       ARG  21  -8.283  -4.644   1.853
  172    HA   ARG  21           HA       ARG  21  -6.389  -4.639   4.092
  173    HB2  ARG  21           HB2      ARG  21  -6.985  -6.684   1.966
  174    HB3  ARG  21           HB1      ARG  21  -5.591  -6.804   3.027
  175    HG2  ARG  21           HG2      ARG  21  -7.128  -6.791   4.970
  176    HG3  ARG  21           HG1      ARG  21  -8.486  -6.822   3.842
  177    HD2  ARG  21           HD2      ARG  21  -7.721  -8.937   2.935
  178    HD3  ARG  21           HD1      ARG  21  -6.295  -8.889   3.968
  179    HE   ARG  21           HE       ARG  21  -8.777  -8.785   5.418
  180   HH11  ARG  21          HH11      ARG  21  -6.399 -10.891   3.948
  181   HH12  ARG  21          HH12      ARG  21  -6.786 -12.245   4.960
  182   HH21  ARG  21          HH21      ARG  21  -9.286 -10.571   6.753
  183   HH22  ARG  21          HH22      ARG  21  -8.424 -12.062   6.553
  184    H    TYR  22           HN       TYR  22  -4.222  -4.439   3.825
  185    HA   TYR  22           HA       TYR  22  -3.216  -3.838   1.139
  186    HB2  TYR  22           HB2      TYR  22  -2.674  -2.208   3.630
  187    HB3  TYR  22           HB1      TYR  22  -1.864  -1.990   2.085
  188    HD1  TYR  22           HD1      TYR  22  -2.948  -0.866   0.268
  189    HD2  TYR  22           HD2      TYR  22  -5.047  -1.627   3.883
  190    HE1  TYR  22           HE1      TYR  22  -4.709   0.689  -0.438
  191    HE2  TYR  22           HE2      TYR  22  -6.817  -0.078   3.190
  192    HH   TYR  22           HH       TYR  22  -7.078   1.863   1.686
  193    H    GLU  23           HN       GLU  23  -1.295  -4.698   0.692
  194    HA   GLU  23           HA       GLU  23   0.118  -6.110   2.854
  195    HB2  GLU  23           HB2      GLU  23   0.042  -6.654  -0.112
  196    HB3  GLU  23           HB1      GLU  23   1.114  -7.473   1.006
  197    HG2  GLU  23           HG2      GLU  23  -0.817  -8.388   2.186
  198    HG3  GLU  23           HG1      GLU  23  -1.892  -7.568   1.050
  199    H    VAL  24           HN       VAL  24   2.245  -5.716   3.174
  200    HA   VAL  24           HA       VAL  24   3.464  -3.679   1.450
  201    HB   VAL  24           HB       VAL  24   4.111  -4.337   4.330
  202   HG11  VAL  24          HG11      VAL  24   6.103  -3.667   3.079
  203   HG12  VAL  24          HG12      VAL  24   5.627  -2.414   4.224
  204   HG13  VAL  24          HG13      VAL  24   5.268  -2.222   2.509
  205   HG21  VAL  24          HG21      VAL  24   2.804  -1.912   3.090
  206   HG22  VAL  24          HG22      VAL  24   3.237  -2.085   4.790
  207   HG23  VAL  24          HG23      VAL  24   2.004  -3.131   4.084
  208    H    HIS  25           HN       HIS  25   4.491  -4.808  -0.051
  209    HA   HIS  25           HA       HIS  25   6.135  -7.098   0.702
  210    HB2  HIS  25           HB2      HIS  25   5.302  -5.948  -1.963
  211    HB3  HIS  25           HB1      HIS  25   6.507  -7.218  -1.824
  212    HD1  HIS  25           HD1      HIS  25   5.644  -9.551  -1.785
  213    HD2  HIS  25           HD2      HIS  25   2.684  -6.774  -0.896
  214    HE1  HIS  25           HE1      HIS  25   3.502 -10.861  -1.659
  215    HE2  HIS  25           HE2      HIS  25   1.773  -9.200  -0.876
  216    H    CYS  26           HN       CYS  26   7.845  -6.258   1.744
  217    HA   CYS  26           HA       CYS  26   9.496  -4.309   0.297
  218    HB2  CYS  26           HB2      CYS  26   8.092  -3.296   2.142
  219    HB3  CYS  26           HB1      CYS  26   9.000  -4.284   3.278
  220    HN1  NH2  27           HN1      NH2  27  10.807  -6.058  -0.343
  221    HN2  NH2  27           HN2      NH2  27  11.872  -6.848   0.764
  Start of MODEL    3
    1    H1   ASN   1           HT1      ASN   1  -5.615   3.769  -6.023
    2    H2   ASN   1           HT2      ASN   1  -6.377   5.165  -6.596
    3    H3   ASN   1           HT3      ASN   1  -7.300   3.814  -6.176
    4    HA   ASN   1           HA       ASN   1  -7.451   5.507  -4.484
    5    HB2  ASN   1           HB2      ASN   1  -5.881   3.046  -3.695
    6    HB3  ASN   1           HB1      ASN   1  -6.645   4.134  -2.541
    7   HD21  ASN   1          HD21      ASN   1  -7.124   1.303  -3.066
    8   HD22  ASN   1          HD22      ASN   1  -8.808   1.178  -3.446
    9    H    ASP   2           HN       ASP   2  -6.536   7.202  -3.544
   10    HA   ASP   2           HA       ASP   2  -3.805   7.850  -4.081
   11    HB2  ASP   2           HB2      ASP   2  -5.595   9.554  -3.954
   12    HB3  ASP   2           HB1      ASP   2  -5.767   9.225  -2.235
   13    H    LYS   3           HN       LYS   3  -5.543   6.475  -1.406
   14    HA   LYS   3           HA       LYS   3  -3.608   6.752   0.612
   15    HB2  LYS   3           HB2      LYS   3  -5.770   4.715   0.127
   16    HB3  LYS   3           HB1      LYS   3  -4.694   4.605   1.512
   17    HG2  LYS   3           HG2      LYS   3  -5.467   6.733   2.340
   18    HG3  LYS   3           HG1      LYS   3  -6.464   6.966   0.902
   19    HD2  LYS   3           HD2      LYS   3  -7.874   5.136   1.493
   20    HD3  LYS   3           HD1      LYS   3  -6.785   4.641   2.788
   21    HE2  LYS   3           HE2      LYS   3  -8.369   7.203   2.684
   22    HE3  LYS   3           HE1      LYS   3  -8.750   5.791   3.667
   23    HZ1  LYS   3           HZ1      LYS   3  -6.567   6.101   4.766
   24    HZ2  LYS   3           HZ2      LYS   3  -7.642   7.377   5.028
   25    HZ3  LYS   3           HZ3      LYS   3  -6.377   7.554   3.919
   26    H    CYS   4           HN       CYS   4  -3.967   4.481  -2.019
   27    HA   CYS   4           HA       CYS   4  -1.976   2.653  -1.241
   28    HB2  CYS   4           HB2      CYS   4  -2.984   3.419  -3.984
   29    HB3  CYS   4           HB1      CYS   4  -1.922   2.052  -3.665
   30    H    LYS   5           HN       LYS   5  -1.895   5.737  -2.862
   31    HA   LYS   5           HA       LYS   5   0.859   5.533  -3.640
   32    HB2  LYS   5           HB2      LYS   5  -0.971   7.934  -3.504
   33    HB3  LYS   5           HB1      LYS   5   0.631   7.924  -4.230
   34    HG2  LYS   5           HG2      LYS   5  -0.189   6.179  -5.822
   35    HG3  LYS   5           HG1      LYS   5  -1.808   6.432  -5.166
   36    HD2  LYS   5           HD2      LYS   5  -1.644   8.817  -5.779
   37    HD3  LYS   5           HD1      LYS   5  -0.070   8.497  -6.509
   38    HE2  LYS   5           HE2      LYS   5  -1.663   8.497  -8.268
   39    HE3  LYS   5           HE1      LYS   5  -1.207   6.819  -7.986
   40    HZ1  LYS   5           HZ1      LYS   5  -3.602   7.117  -8.282
   41    HZ2  LYS   5           HZ2      LYS   5  -3.655   8.111  -6.917
   42    HZ3  LYS   5           HZ3      LYS   5  -3.232   6.481  -6.763
   43    H    GLU   6           HN       GLU   6  -0.955   6.907  -0.956
   44    HA   GLU   6           HA       GLU   6   1.217   8.226   0.291
   45    HB2  GLU   6           HB2      GLU   6  -1.308   7.051   1.467
   46    HB3  GLU   6           HB1      GLU   6  -0.159   8.011   2.385
   47    HG2  GLU   6           HG2      GLU   6  -0.557   9.868   0.752
   48    HG3  GLU   6           HG1      GLU   6  -1.868   8.901   0.078
   49    H    LEU   7           HN       LEU   7  -0.135   4.983   0.666
   50    HA   LEU   7           HA       LEU   7   1.709   4.110   2.617
   51    HB2  LEU   7           HB2      LEU   7   0.024   2.610   0.624
   52    HB3  LEU   7           HB1      LEU   7   0.990   1.816   1.850
   53    HG   LEU   7           HG       LEU   7  -1.169   3.817   2.507
   54   HD11  LEU   7          HD11      LEU   7  -2.581   1.896   3.054
   55   HD12  LEU   7          HD12      LEU   7  -1.348   0.809   2.413
   56   HD13  LEU   7          HD13      LEU   7  -2.177   1.937   1.338
   57   HD21  LEU   7          HD21      LEU   7   0.236   1.726   4.167
   58   HD22  LEU   7          HD22      LEU   7  -1.040   2.806   4.723
   59   HD23  LEU   7          HD23      LEU   7   0.519   3.464   4.240
   60    H    LYS   8           HN       LYS   8   1.684   3.898  -0.914
   61    HA   LYS   8           HA       LYS   8   4.082   2.495  -1.242
   62    HB2  LYS   8           HB2      LYS   8   2.555   2.906  -3.101
   63    HB3  LYS   8           HB1      LYS   8   2.843   4.636  -2.985
   64    HG2  LYS   8           HG2      LYS   8   5.232   4.206  -3.547
   65    HG3  LYS   8           HG1      LYS   8   4.805   2.518  -3.828
   66    HD2  LYS   8           HD2      LYS   8   3.476   4.822  -5.242
   67    HD3  LYS   8           HD1      LYS   8   4.887   3.979  -5.883
   68    HE2  LYS   8           HE2      LYS   8   2.251   2.680  -5.205
   69    HE3  LYS   8           HE1      LYS   8   2.750   3.166  -6.824
   70    HZ1  LYS   8           HZ1      LYS   8   4.668   1.647  -6.587
   71    HZ2  LYS   8           HZ2      LYS   8   3.180   0.846  -6.537
   72    HZ3  LYS   8           HZ3      LYS   8   4.039   1.115  -5.109
   73    H    LYS   9           HN       LYS   9   3.442   5.938  -0.798
   74    HA   LYS   9           HA       LYS   9   6.077   6.869  -1.079
   75    HB2  LYS   9           HB2      LYS   9   4.196   8.393  -1.095
   76    HB3  LYS   9           HB1      LYS   9   3.758   7.938   0.543
   77    HG2  LYS   9           HG2      LYS   9   5.972   8.867   1.279
   78    HG3  LYS   9           HG1      LYS   9   6.156   9.511  -0.353
   79    HD2  LYS   9           HD2      LYS   9   3.815  10.107   1.451
   80    HD3  LYS   9           HD1      LYS   9   5.237  11.139   1.304
   81    HE2  LYS   9           HE2      LYS   9   3.432  10.369  -0.983
   82    HE3  LYS   9           HE1      LYS   9   3.312  11.877  -0.079
   83    HZ1  LYS   9           HZ1      LYS   9   4.552  12.220  -2.093
   84    HZ2  LYS   9           HZ2      LYS   9   5.632  10.982  -1.702
   85    HZ3  LYS   9           HZ3      LYS   9   5.593  12.394  -0.771
   86    H    ARG  10           HN       ARG  10   4.257   5.790   1.757
   87    HA   ARG  10           HA       ARG  10   6.210   6.339   3.688
   88    HB2  ARG  10           HB2      ARG  10   3.927   5.910   4.334
   89    HB3  ARG  10           HB1      ARG  10   3.995   4.287   3.661
   90    HG2  ARG  10           HG2      ARG  10   5.699   3.686   5.329
   91    HG3  ARG  10           HG1      ARG  10   5.556   5.303   6.024
   92    HD2  ARG  10           HD2      ARG  10   3.298   4.898   6.684
   93    HD3  ARG  10           HD1      ARG  10   3.242   3.389   5.772
   94    HE   ARG  10           HE       ARG  10   5.260   2.953   7.507
   95   HH11  ARG  10          HH11      ARG  10   1.830   3.384   9.549
   96   HH12  ARG  10          HH12      ARG  10   1.962   4.058   7.955
   97   HH21  ARG  10          HH21      ARG  10   5.078   2.066   9.580
   98   HH22  ARG  10          HH22      ARG  10   3.596   2.246  10.469
   99    H    TYR  11           HN       TYR  11   5.520   3.355   1.887
  100    HA   TYR  11           HA       TYR  11   7.689   2.016   3.272
  101    HB2  TYR  11           HB2      TYR  11   5.611   1.050   1.323
  102    HB3  TYR  11           HB1      TYR  11   6.909   0.029   1.925
  103    HD1  TYR  11           HD1      TYR  11   6.985  -0.621   4.309
  104    HD2  TYR  11           HD2      TYR  11   3.754   1.631   2.698
  105    HE1  TYR  11           HE1      TYR  11   5.632  -1.153   6.290
  106    HE2  TYR  11           HE2      TYR  11   2.394   1.108   4.677
  107    HH   TYR  11           HH       TYR  11   3.680  -0.146   7.516
  108    H    ORN  12           HT1      ORN  12  11.381   1.292  -4.438
  109    HA   ORN  12           HA       ORN  12  10.888   1.611  -1.544
  110    HB2  ORN  12           HB1      ORN  12   9.302   2.666  -3.894
  111    HB3  ORN  12           HB2      ORN  12  10.422   3.636  -2.946
  112    HG2  ORN  12           HG1      ORN  12   8.022   2.231  -1.798
  113    HG3  ORN  12           HG2      ORN  12   8.034   3.917  -2.317
  114    HD2  ORN  12           HD1      ORN  12   9.445   4.569  -0.615
  115    HD3  ORN  12           HD2      ORN  12  10.091   2.951  -0.384
  116    HE1  ORN  12           HE       ORN  12   7.604   4.006   0.705
  117    H    CYS  13           HN       CYS  13   9.095   0.460  -0.752
  118    HA   CYS  13           HA       CYS  13   8.673  -2.032  -2.097
  119    HB2  CYS  13           HB2      CYS  13   7.365  -0.942   0.391
  120    HB3  CYS  13           HB1      CYS  13   7.294  -2.608  -0.157
  121    H    GLU  14           HN       GLU  14   6.771  -2.877  -2.853
  122    HA   GLU  14           HA       GLU  14   4.802  -0.929  -3.781
  123    HB2  GLU  14           HB2      GLU  14   5.693  -2.300  -5.529
  124    HB3  GLU  14           HB1      GLU  14   5.489  -3.761  -4.573
  125    HG2  GLU  14           HG2      GLU  14   3.017  -3.381  -4.697
  126    HG3  GLU  14           HG1      GLU  14   3.346  -2.093  -5.856
  127    H    VAL  15           HN       VAL  15   3.161  -0.670  -2.370
  128    HA   VAL  15           HA       VAL  15   2.353  -2.849  -0.669
  129    HB   VAL  15           HB       VAL  15   0.711  -1.359   0.289
  130   HG11  VAL  15          HG11      VAL  15   2.174   0.396   1.135
  131   HG12  VAL  15          HG12      VAL  15   3.326   0.075  -0.159
  132   HG13  VAL  15          HG13      VAL  15   3.011  -1.153   1.066
  133   HG21  VAL  15          HG21      VAL  15   0.377   0.915  -0.504
  134   HG22  VAL  15          HG22      VAL  15  -0.035  -0.256  -1.758
  135   HG23  VAL  15          HG23      VAL  15   1.490   0.626  -1.841
  136    H    ARG  16           HN       ARG  16   0.541  -4.054  -0.834
  137    HA   ARG  16           HA       ARG  16  -0.791  -3.975  -3.444
  138    HB2  ARG  16           HB2      ARG  16  -0.916  -6.206  -1.419
  139    HB3  ARG  16           HB1      ARG  16  -1.391  -6.263  -3.105
  140    HG2  ARG  16           HG2      ARG  16   0.994  -5.919  -3.721
  141    HG3  ARG  16           HG1      ARG  16   1.401  -6.070  -2.010
  142    HD2  ARG  16           HD2      ARG  16   1.726  -8.212  -2.978
  143    HD3  ARG  16           HD1      ARG  16   0.236  -8.298  -2.040
  144    HE   ARG  16           HE       ARG  16   0.345  -8.033  -4.980
  145   HH11  ARG  16          HH11      ARG  16  -1.283  -9.145  -2.063
  146   HH12  ARG  16          HH12      ARG  16  -2.506 -10.000  -2.945
  147   HH21  ARG  16          HH21      ARG  16  -2.496 -10.019  -5.237
  148   HH22  ARG  16          HH22      ARG  16  -1.257  -9.169  -6.110
  149    H    CYS  17           HN       CYS  17  -2.615  -2.877  -3.416
  150    HA   CYS  17           HA       CYS  17  -4.161  -2.660  -0.977
  151    HB2  CYS  17           HB2      CYS  17  -4.627  -1.462  -3.715
  152    HB3  CYS  17           HB1      CYS  17  -5.511  -1.050  -2.248
  153    H    ASP  18           HN       ASP  18  -5.310  -4.392  -0.534
  154    HA   ASP  18           HA       ASP  18  -6.834  -5.685  -2.701
  155    HB2  ASP  18           HB2      ASP  18  -5.046  -7.110  -1.783
  156    HB3  ASP  18           HB1      ASP  18  -5.709  -6.904  -0.169
  157    HA   DPR  19           HA       DPR  19 -10.608  -5.014  -0.463
  158    HB2  DPR  19           HB1      DPR  19 -11.187  -2.462  -1.299
  159    HB3  DPR  19           HB2      DPR  19 -11.551  -3.927  -2.212
  160    HG2  DPR  19           HG1      DPR  19  -9.286  -2.010  -2.518
  161    HG3  DPR  19           HG2      DPR  19 -10.211  -2.865  -3.766
  162    HD2  DPR  19           HD1      DPR  19  -7.736  -3.641  -3.006
  163    HD3  DPR  19           HD2      DPR  19  -8.976  -4.802  -3.527
  164    HA   PRO  20           HA       PRO  20  -9.852  -2.092   2.866
  165    HB2  PRO  20           HB2      PRO  20 -10.579  -3.697   4.870
  166    HB3  PRO  20           HB1      PRO  20 -11.781  -3.023   3.764
  167    HG2  PRO  20           HG2      PRO  20 -10.577  -5.759   3.816
  168    HG3  PRO  20           HG1      PRO  20 -12.259  -5.283   3.527
  169    HD2  PRO  20           HD2      PRO  20 -10.437  -5.901   1.541
  170    HD3  PRO  20           HD1      PRO  20 -11.885  -4.903   1.310
  171    H    ARG  21           HN       ARG  21  -8.089  -4.735   1.897
  172    HA   ARG  21           HA       ARG  21  -6.331  -4.690   4.255
  173    HB2  ARG  21           HB2      ARG  21  -6.597  -6.726   2.039
  174    HB3  ARG  21           HB1      ARG  21  -5.417  -6.818   3.339
  175    HG2  ARG  21           HG2      ARG  21  -7.188  -7.006   4.978
  176    HG3  ARG  21           HG1      ARG  21  -8.404  -6.815   3.715
  177    HD2  ARG  21           HD2      ARG  21  -6.405  -9.067   3.886
  178    HD3  ARG  21           HD1      ARG  21  -8.088  -9.165   4.390
  179    HE   ARG  21           HE       ARG  21  -7.223  -8.708   1.598
  180   HH11  ARG  21          HH11      ARG  21  -9.478 -10.051   3.931
  181   HH12  ARG  21          HH12      ARG  21 -10.444 -10.832   2.724
  182   HH21  ARG  21          HH21      ARG  21  -8.473  -9.733   0.033
  183   HH22  ARG  21          HH22      ARG  21  -9.872 -10.661   0.505
  184    H    TYR  22           HN       TYR  22  -4.114  -4.455   4.004
  185    HA   TYR  22           HA       TYR  22  -3.127  -3.719   1.344
  186    HB2  TYR  22           HB2      TYR  22  -2.602  -2.166   3.889
  187    HB3  TYR  22           HB1      TYR  22  -1.808  -1.878   2.347
  188    HD1  TYR  22           HD1      TYR  22  -2.992  -0.817   0.516
  189    HD2  TYR  22           HD2      TYR  22  -4.902  -1.506   4.252
  190    HE1  TYR  22           HE1      TYR  22  -4.792   0.724  -0.129
  191    HE2  TYR  22           HE2      TYR  22  -6.711   0.029   3.619
  192    HH   TYR  22           HH       TYR  22  -7.032   1.958   2.062
  193    H    GLU  23           HN       GLU  23  -1.314  -4.747   0.856
  194    HA   GLU  23           HA       GLU  23   0.198  -6.016   3.051
  195    HB2  GLU  23           HB2      GLU  23  -0.030  -6.919   0.174
  196    HB3  GLU  23           HB1      GLU  23   0.843  -7.750   1.451
  197    HG2  GLU  23           HG2      GLU  23  -1.250  -8.121   2.649
  198    HG3  GLU  23           HG1      GLU  23  -2.130  -7.295   1.364
  199    H    VAL  24           HN       VAL  24   2.556  -6.295   2.581
  200    HA   VAL  24           HA       VAL  24   3.537  -3.977   1.051
  201    HB   VAL  24           HB       VAL  24   4.772  -5.201   3.524
  202   HG11  VAL  24          HG11      VAL  24   6.311  -3.301   3.450
  203   HG12  VAL  24          HG12      VAL  24   5.572  -2.755   1.945
  204   HG13  VAL  24          HG13      VAL  24   6.448  -4.286   1.993
  205   HG21  VAL  24          HG21      VAL  24   2.720  -3.971   4.020
  206   HG22  VAL  24          HG22      VAL  24   3.337  -2.573   3.141
  207   HG23  VAL  24          HG23      VAL  24   4.133  -3.104   4.623
  208    H    HIS  25           HN       HIS  25   4.305  -4.702  -0.792
  209    HA   HIS  25           HA       HIS  25   5.861  -7.195  -0.839
  210    HB2  HIS  25           HB2      HIS  25   3.894  -7.270  -2.257
  211    HB3  HIS  25           HB1      HIS  25   4.329  -5.748  -3.012
  212    HD1  HIS  25           HD1      HIS  25   4.754  -6.354  -5.376
  213    HD2  HIS  25           HD2      HIS  25   6.601  -8.989  -2.731
  214    HE1  HIS  25           HE1      HIS  25   6.114  -7.916  -6.800
  215    HE2  HIS  25           HE2      HIS  25   7.027  -9.628  -5.195
  216    H    CYS  26           HN       CYS  26   7.842  -6.345  -0.244
  217    HA   CYS  26           HA       CYS  26   8.949  -4.070  -1.640
  218    HB2  CYS  26           HB2      CYS  26  10.211  -5.943   0.371
  219    HB3  CYS  26           HB1      CYS  26  10.923  -4.445  -0.217
  220    HN1  NH2  27           HN1      NH2  27   9.021  -4.806  -3.770
  221    HN2  NH2  27           HN2      NH2  27  10.171  -5.981  -4.300
  Start of MODEL    4
    1    H1   ASN   1           HT1      ASN   1  -7.786   6.253  -4.713
    2    H2   ASN   1           HT2      ASN   1  -8.694   4.835  -4.575
    3    H3   ASN   1           HT3      ASN   1  -7.011   4.751  -4.705
    4    HA   ASN   1           HA       ASN   1  -8.520   5.922  -2.448
    5    HB2  ASN   1           HB2      ASN   1  -6.918   3.369  -2.697
    6    HB3  ASN   1           HB1      ASN   1  -7.444   4.043  -1.162
    7   HD21  ASN   1          HD21      ASN   1 -10.019   4.936  -2.142
    8   HD22  ASN   1          HD22      ASN   1 -10.973   3.510  -2.362
    9    H    ASP   2           HN       ASP   2  -7.440   7.566  -1.598
   10    HA   ASP   2           HA       ASP   2  -4.790   8.228  -2.282
   11    HB2  ASP   2           HB2      ASP   2  -4.958  10.002  -0.659
   12    HB3  ASP   2           HB1      ASP   2  -6.495   9.868  -1.500
   13    H    LYS   3           HN       LYS   3  -6.123   6.271   0.247
   14    HA   LYS   3           HA       LYS   3  -3.973   6.199   2.023
   15    HB2  LYS   3           HB2      LYS   3  -6.244   5.219   2.414
   16    HB3  LYS   3           HB1      LYS   3  -5.820   3.912   1.317
   17    HG2  LYS   3           HG2      LYS   3  -5.558   3.196   3.598
   18    HG3  LYS   3           HG1      LYS   3  -3.982   3.277   2.813
   19    HD2  LYS   3           HD2      LYS   3  -3.500   5.376   3.885
   20    HD3  LYS   3           HD1      LYS   3  -5.126   5.449   4.564
   21    HE2  LYS   3           HE2      LYS   3  -3.026   3.383   5.201
   22    HE3  LYS   3           HE1      LYS   3  -3.491   4.733   6.230
   23    HZ1  LYS   3           HZ1      LYS   3  -5.750   3.781   6.302
   24    HZ2  LYS   3           HZ2      LYS   3  -4.582   2.766   6.979
   25    HZ3  LYS   3           HZ3      LYS   3  -5.195   2.435   5.442
   26    H    CYS   4           HN       CYS   4  -4.599   4.458  -0.959
   27    HA   CYS   4           HA       CYS   4  -2.426   2.655  -0.808
   28    HB2  CYS   4           HB2      CYS   4  -4.335   2.352  -2.354
   29    HB3  CYS   4           HB1      CYS   4  -3.818   3.769  -3.259
   30    H    LYS   5           HN       LYS   5  -2.828   5.866  -2.191
   31    HA   LYS   5           HA       LYS   5  -0.293   6.104  -3.372
   32    HB2  LYS   5           HB2      LYS   5  -2.094   7.628  -3.929
   33    HB3  LYS   5           HB1      LYS   5  -2.175   8.200  -2.270
   34    HG2  LYS   5           HG2      LYS   5   0.134   9.087  -2.526
   35    HG3  LYS   5           HG1      LYS   5   0.066   8.633  -4.230
   36    HD2  LYS   5           HD2      LYS   5  -1.823  10.106  -4.582
   37    HD3  LYS   5           HD1      LYS   5  -1.864  10.501  -2.864
   38    HE2  LYS   5           HE2      LYS   5  -0.786  12.289  -4.049
   39    HE3  LYS   5           HE1      LYS   5   0.413  11.447  -3.074
   40    HZ1  LYS   5           HZ1      LYS   5   1.268  11.926  -5.264
   41    HZ2  LYS   5           HZ2      LYS   5  -0.012  11.096  -5.989
   42    HZ3  LYS   5           HZ3      LYS   5   1.122  10.254  -5.059
   43    H    GLU   6           HN       GLU   6  -1.487   7.047  -0.167
   44    HA   GLU   6           HA       GLU   6   0.901   8.233   0.728
   45    HB2  GLU   6           HB2      GLU   6  -1.328   6.946   2.310
   46    HB3  GLU   6           HB1      GLU   6  -0.059   7.950   2.998
   47    HG2  GLU   6           HG2      GLU   6  -2.102   8.830   0.972
   48    HG3  GLU   6           HG1      GLU   6  -2.128   9.190   2.696
   49    H    LEU   7           HN       LEU   7  -0.365   4.940   1.083
   50    HA   LEU   7           HA       LEU   7   1.760   4.004   2.694
   51    HB2  LEU   7           HB2      LEU   7  -0.156   2.521   0.903
   52    HB3  LEU   7           HB1      LEU   7   0.947   1.743   2.020
   53    HG   LEU   7           HG       LEU   7  -1.191   3.695   2.886
   54   HD11  LEU   7          HD11      LEU   7  -2.454   1.725   3.611
   55   HD12  LEU   7          HD12      LEU   7  -1.253   0.683   2.850
   56   HD13  LEU   7          HD13      LEU   7  -2.241   1.760   1.862
   57   HD21  LEU   7          HD21      LEU   7   0.702   3.421   4.431
   58   HD22  LEU   7          HD22      LEU   7   0.428   1.678   4.437
   59   HD23  LEU   7          HD23      LEU   7  -0.794   2.765   5.093
   60    H    LYS   8           HN       LYS   8   1.213   3.927  -0.807
   61    HA   LYS   8           HA       LYS   8   3.518   2.418  -1.437
   62    HB2  LYS   8           HB2      LYS   8   1.666   2.672  -3.002
   63    HB3  LYS   8           HB1      LYS   8   1.960   4.401  -3.104
   64    HG2  LYS   8           HG2      LYS   8   4.167   3.938  -4.086
   65    HG3  LYS   8           HG1      LYS   8   3.800   2.213  -4.042
   66    HD2  LYS   8           HD2      LYS   8   1.903   2.563  -5.524
   67    HD3  LYS   8           HD1      LYS   8   2.214   4.300  -5.534
   68    HE2  LYS   8           HE2      LYS   8   3.087   3.269  -7.551
   69    HE3  LYS   8           HE1      LYS   8   4.401   3.896  -6.559
   70    HZ1  LYS   8           HZ1      LYS   8   3.533   1.060  -6.607
   71    HZ2  LYS   8           HZ2      LYS   8   4.871   1.690  -5.787
   72    HZ3  LYS   8           HZ3      LYS   8   4.847   1.677  -7.475
   73    H    LYS   9           HN       LYS   9   2.933   5.853  -1.044
   74    HA   LYS   9           HA       LYS   9   5.512   6.702  -1.903
   75    HB2  LYS   9           HB2      LYS   9   3.671   8.240  -1.962
   76    HB3  LYS   9           HB1      LYS   9   3.341   7.999  -0.256
   77    HG2  LYS   9           HG2      LYS   9   5.436   9.110   0.310
   78    HG3  LYS   9           HG1      LYS   9   5.772   9.348  -1.407
   79    HD2  LYS   9           HD2      LYS   9   3.898  10.789  -1.658
   80    HD3  LYS   9           HD1      LYS   9   3.283  10.372  -0.057
   81    HE2  LYS   9           HE2      LYS   9   5.859  11.836  -0.616
   82    HE3  LYS   9           HE1      LYS   9   4.348  12.588  -0.108
   83    HZ1  LYS   9           HZ1      LYS   9   4.447  11.262   1.930
   84    HZ2  LYS   9           HZ2      LYS   9   5.789  12.278   1.776
   85    HZ3  LYS   9           HZ3      LYS   9   5.940  10.627   1.452
   86    H    ARG  10           HN       ARG  10   4.102   5.718   1.119
   87    HA   ARG  10           HA       ARG  10   6.175   6.639   2.832
   88    HB2  ARG  10           HB2      ARG  10   3.892   6.295   3.597
   89    HB3  ARG  10           HB1      ARG  10   3.997   4.587   3.217
   90    HG2  ARG  10           HG2      ARG  10   5.696   4.300   4.944
   91    HG3  ARG  10           HG1      ARG  10   5.587   6.026   5.327
   92    HD2  ARG  10           HD2      ARG  10   3.269   5.782   5.954
   93    HD3  ARG  10           HD1      ARG  10   3.275   4.094   5.457
   94    HE   ARG  10           HE       ARG  10   5.211   4.213   7.365
   95   HH11  ARG  10          HH11      ARG  10   1.562   4.876   8.914
   96   HH12  ARG  10          HH12      ARG  10   1.853   5.188   7.233
   97   HH21  ARG  10          HH21      ARG  10   4.839   3.808   9.584
   98   HH22  ARG  10          HH22      ARG  10   3.263   4.086  10.254
   99    H    TYR  11           HN       TYR  11   5.310   3.434   1.554
  100    HA   TYR  11           HA       TYR  11   7.625   2.275   2.863
  101    HB2  TYR  11           HB2      TYR  11   5.359   1.067   1.288
  102    HB3  TYR  11           HB1      TYR  11   6.704   0.129   1.923
  103    HD1  TYR  11           HD1      TYR  11   7.044  -0.024   4.398
  104    HD2  TYR  11           HD2      TYR  11   3.584   1.755   2.682
  105    HE1  TYR  11           HE1      TYR  11   5.872  -0.236   6.546
  106    HE2  TYR  11           HE2      TYR  11   2.405   1.551   4.827
  107    HH   TYR  11           HH       TYR  11   2.516   0.180   6.863
  108    H    ORN  12           HT1      ORN  12  10.866   0.205  -4.690
  109    HA   ORN  12           HA       ORN  12  10.419   1.150  -1.922
  110    HB2  ORN  12           HB1      ORN  12   8.570   1.311  -4.313
  111    HB3  ORN  12           HB2      ORN  12   9.592   2.643  -3.791
  112    HG2  ORN  12           HG1      ORN  12   7.538   1.338  -2.028
  113    HG3  ORN  12           HG2      ORN  12   7.220   2.761  -3.019
  114    HD2  ORN  12           HD1      ORN  12   8.596   4.111  -1.757
  115    HD3  ORN  12           HD2      ORN  12   9.556   2.760  -1.165
  116    HE1  ORN  12           HE       ORN  12   7.072   3.750  -0.058
  117    H    CYS  13           HN       CYS  13   8.904  -0.042  -0.733
  118    HA   CYS  13           HA       CYS  13   8.821  -2.812  -1.251
  119    HB2  CYS  13           HB2      CYS  13   7.075  -1.186   0.595
  120    HB3  CYS  13           HB1      CYS  13   7.276  -2.930   0.645
  121    H    GLU  14           HN       GLU  14   7.270  -4.123  -2.075
  122    HA   GLU  14           HA       GLU  14   5.311  -2.915  -3.811
  123    HB2  GLU  14           HB2      GLU  14   6.034  -5.780  -3.195
  124    HB3  GLU  14           HB1      GLU  14   4.732  -5.338  -4.288
  125    HG2  GLU  14           HG2      GLU  14   6.292  -4.230  -5.760
  126    HG3  GLU  14           HG1      GLU  14   7.615  -4.551  -4.639
  127    H    VAL  15           HN       VAL  15   3.959  -1.882  -2.310
  128    HA   VAL  15           HA       VAL  15   2.482  -3.556  -0.460
  129    HB   VAL  15           HB       VAL  15   3.037  -1.481   0.509
  130   HG11  VAL  15          HG11      VAL  15   3.610  -0.231  -1.463
  131   HG12  VAL  15          HG12      VAL  15   2.469   0.690  -0.480
  132   HG13  VAL  15          HG13      VAL  15   1.913  -0.139  -1.936
  133   HG21  VAL  15          HG21      VAL  15   0.739  -2.202   0.965
  134   HG22  VAL  15          HG22      VAL  15   0.172  -1.235  -0.398
  135   HG23  VAL  15          HG23      VAL  15   0.896  -0.445   1.003
  136    H    ARG  16           HN       ARG  16   0.890  -4.692  -1.181
  137    HA   ARG  16           HA       ARG  16  -0.504  -4.049  -3.614
  138    HB2  ARG  16           HB2      ARG  16  -0.796  -6.265  -1.600
  139    HB3  ARG  16           HB1      ARG  16  -1.902  -6.074  -2.945
  140    HG2  ARG  16           HG2      ARG  16  -0.021  -6.317  -4.501
  141    HG3  ARG  16           HG1      ARG  16   1.058  -6.567  -3.126
  142    HD2  ARG  16           HD2      ARG  16   0.315  -8.680  -4.188
  143    HD3  ARG  16           HD1      ARG  16  -0.121  -8.555  -2.485
  144    HE   ARG  16           HE       ARG  16  -2.278  -7.610  -4.007
  145   HH11  ARG  16          HH11      ARG  16  -0.592 -10.606  -3.339
  146   HH12  ARG  16          HH12      ARG  16  -1.976 -11.603  -3.656
  147   HH21  ARG  16          HH21      ARG  16  -3.977 -10.641  -4.283
  148   HH22  ARG  16          HH22      ARG  16  -4.104  -8.917  -4.426
  149    H    CYS  17           HN       CYS  17  -2.166  -2.768  -3.736
  150    HA   CYS  17           HA       CYS  17  -3.684  -2.115  -1.333
  151    HB2  CYS  17           HB2      CYS  17  -3.747  -0.868  -4.089
  152    HB3  CYS  17           HB1      CYS  17  -4.563  -0.248  -2.656
  153    H    ASP  18           HN       ASP  18  -4.908  -3.986  -1.141
  154    HA   ASP  18           HA       ASP  18  -6.844  -4.472  -3.311
  155    HB2  ASP  18           HB2      ASP  18  -5.537  -6.423  -1.415
  156    HB3  ASP  18           HB1      ASP  18  -6.955  -6.826  -2.372
  157    HA   DPR  19           HA       DPR  19 -10.272  -3.933  -0.613
  158    HB2  DPR  19           HB1      DPR  19 -10.443  -1.188  -0.584
  159    HB3  DPR  19           HB2      DPR  19 -11.096  -2.229  -1.852
  160    HG2  DPR  19           HG1      DPR  19  -8.535  -0.694  -1.787
  161    HG3  DPR  19           HG2      DPR  19  -9.660  -0.944  -3.133
  162    HD2  DPR  19           HD1      DPR  19  -7.357  -2.315  -2.942
  163    HD3  DPR  19           HD2      DPR  19  -8.834  -3.059  -3.595
  164    HA   PRO  20           HA       PRO  20  -9.162  -2.307   3.392
  165    HB2  PRO  20           HB2      PRO  20  -9.705  -4.528   4.803
  166    HB3  PRO  20           HB1      PRO  20 -10.985  -3.508   4.138
  167    HG2  PRO  20           HG2      PRO  20  -9.866  -6.073   3.081
  168    HG3  PRO  20           HG1      PRO  20 -11.555  -5.549   3.187
  169    HD2  PRO  20           HD2      PRO  20 -10.080  -5.414   0.897
  170    HD3  PRO  20           HD1      PRO  20 -11.422  -4.312   1.262
  171    H    ARG  21           HN       ARG  21  -7.605  -4.788   1.624
  172    HA   ARG  21           HA       ARG  21  -5.595  -5.142   3.739
  173    HB2  ARG  21           HB2      ARG  21  -6.176  -6.788   1.281
  174    HB3  ARG  21           HB1      ARG  21  -4.771  -7.038   2.306
  175    HG2  ARG  21           HG2      ARG  21  -6.381  -7.368   4.221
  176    HG3  ARG  21           HG1      ARG  21  -7.663  -7.408   3.009
  177    HD2  ARG  21           HD2      ARG  21  -6.963  -9.667   3.552
  178    HD3  ARG  21           HD1      ARG  21  -6.530  -9.276   1.888
  179    HE   ARG  21           HE       ARG  21  -4.279  -8.667   3.329
  180   HH11  ARG  21          HH11      ARG  21  -6.252 -11.537   2.926
  181   HH12  ARG  21          HH12      ARG  21  -4.939 -12.631   3.224
  182   HH21  ARG  21          HH21      ARG  21  -2.558 -10.102   3.705
  183   HH22  ARG  21          HH22      ARG  21  -2.835 -11.819   3.665
  184    H    TYR  22           HN       TYR  22  -3.804  -4.069   3.606
  185    HA   TYR  22           HA       TYR  22  -2.735  -3.429   0.946
  186    HB2  TYR  22           HB2      TYR  22  -2.386  -1.876   3.519
  187    HB3  TYR  22           HB1      TYR  22  -1.585  -1.508   1.995
  188    HD1  TYR  22           HD1      TYR  22  -2.869  -0.630   0.098
  189    HD2  TYR  22           HD2      TYR  22  -4.697  -1.339   3.867
  190    HE1  TYR  22           HE1      TYR  22  -4.783   0.752  -0.580
  191    HE2  TYR  22           HE2      TYR  22  -6.614   0.040   3.204
  192    HH   TYR  22           HH       TYR  22  -7.030   1.949   1.562
  193    H    GLU  23           HN       GLU  23  -1.376  -5.038   0.599
  194    HA   GLU  23           HA       GLU  23   0.086  -6.215   2.830
  195    HB2  GLU  23           HB2      GLU  23  -0.094  -7.096  -0.052
  196    HB3  GLU  23           HB1      GLU  23   0.681  -7.989   1.243
  197    HG2  GLU  23           HG2      GLU  23  -2.247  -7.324   1.067
  198    HG3  GLU  23           HG1      GLU  23  -1.512  -8.890   0.723
  199    H    VAL  24           HN       VAL  24   1.827  -5.045   3.322
  200    HA   VAL  24           HA       VAL  24   3.453  -3.804   1.294
  201    HB   VAL  24           HB       VAL  24   3.935  -4.050   4.268
  202   HG11  VAL  24          HG11      VAL  24   5.985  -3.627   3.001
  203   HG12  VAL  24          HG12      VAL  24   5.522  -2.224   3.965
  204   HG13  VAL  24          HG13      VAL  24   5.220  -2.239   2.227
  205   HG21  VAL  24          HG21      VAL  24   2.770  -1.772   2.667
  206   HG22  VAL  24          HG22      VAL  24   3.122  -1.745   4.394
  207   HG23  VAL  24          HG23      VAL  24   1.878  -2.824   3.764
  208    H    HIS  25           HN       HIS  25   4.619  -5.139   0.072
  209    HA   HIS  25           HA       HIS  25   6.140  -7.269   1.414
  210    HB2  HIS  25           HB2      HIS  25   5.034  -7.024  -1.364
  211    HB3  HIS  25           HB1      HIS  25   6.359  -8.124  -1.022
  212    HD1  HIS  25           HD1      HIS  25   5.703 -10.394  -0.294
  213    HD2  HIS  25           HD2      HIS  25   2.658  -7.633   0.305
  214    HE1  HIS  25           HE1      HIS  25   3.729 -11.728   0.497
  215    HE2  HIS  25           HE2      HIS  25   1.947 -10.024   0.997
  216    H    CYS  26           HN       CYS  26   7.921  -6.120   2.022
  217    HA   CYS  26           HA       CYS  26   9.389  -4.514   0.128
  218    HB2  CYS  26           HB2      CYS  26  10.123  -5.408   2.923
  219    HB3  CYS  26           HB1      CYS  26  10.985  -4.202   1.975
  220    HN1  NH2  27           HN1      NH2  27   9.933  -5.993  -1.488
  221    HN2  NH2  27           HN2      NH2  27  11.121  -7.230  -1.249
  Start of MODEL    5
    1    H1   ASN   1           HT1      ASN   1  -9.719   5.342  -2.990
    2    H2   ASN   1           HT2      ASN   1  -8.755   6.630  -3.508
    3    H3   ASN   1           HT3      ASN   1  -9.028   6.389  -1.859
    4    HA   ASN   1           HA       ASN   1  -7.817   4.365  -1.866
    5    HB2  ASN   1           HB2      ASN   1  -7.469   4.900  -4.822
    6    HB3  ASN   1           HB1      ASN   1  -6.609   3.654  -3.927
    7   HD21  ASN   1          HD21      ASN   1  -7.449   1.941  -5.051
    8   HD22  ASN   1          HD22      ASN   1  -9.115   1.476  -4.962
    9    H    ASP   2           HN       ASP   2  -7.455   7.228  -1.415
   10    HA   ASP   2           HA       ASP   2  -4.899   8.014  -2.408
   11    HB2  ASP   2           HB2      ASP   2  -5.079   9.900  -0.863
   12    HB3  ASP   2           HB1      ASP   2  -6.582   9.679  -1.747
   13    H    LYS   3           HN       LYS   3  -5.993   6.274   0.414
   14    HA   LYS   3           HA       LYS   3  -3.658   6.594   1.966
   15    HB2  LYS   3           HB2      LYS   3  -5.688   5.815   3.010
   16    HB3  LYS   3           HB1      LYS   3  -5.742   4.407   1.963
   17    HG2  LYS   3           HG2      LYS   3  -3.811   3.469   3.011
   18    HG3  LYS   3           HG1      LYS   3  -3.546   4.938   3.948
   19    HD2  LYS   3           HD2      LYS   3  -6.037   3.264   4.169
   20    HD3  LYS   3           HD1      LYS   3  -4.621   3.029   5.193
   21    HE2  LYS   3           HE2      LYS   3  -6.247   5.562   4.966
   22    HE3  LYS   3           HE1      LYS   3  -6.301   4.412   6.300
   23    HZ1  LYS   3           HZ1      LYS   3  -3.928   6.000   5.486
   24    HZ2  LYS   3           HZ2      LYS   3  -3.981   4.896   6.763
   25    HZ3  LYS   3           HZ3      LYS   3  -4.907   6.306   6.829
   26    H    CYS   4           HN       CYS   4  -4.588   4.327  -0.535
   27    HA   CYS   4           HA       CYS   4  -2.429   2.553  -0.335
   28    HB2  CYS   4           HB2      CYS   4  -4.408   2.104  -1.721
   29    HB3  CYS   4           HB1      CYS   4  -3.960   3.422  -2.797
   30    H    LYS   5           HN       LYS   5  -2.811   5.623  -1.979
   31    HA   LYS   5           HA       LYS   5  -0.314   5.633  -3.302
   32    HB2  LYS   5           HB2      LYS   5  -2.155   7.071  -4.008
   33    HB3  LYS   5           HB1      LYS   5  -2.113   7.914  -2.466
   34    HG2  LYS   5           HG2      LYS   5   0.183   8.676  -3.006
   35    HG3  LYS   5           HG1      LYS   5   0.011   7.935  -4.598
   36    HD2  LYS   5           HD2      LYS   5  -1.903   9.367  -5.071
   37    HD3  LYS   5           HD1      LYS   5  -1.764  10.095  -3.469
   38    HE2  LYS   5           HE2      LYS   5   0.518  10.854  -4.071
   39    HE3  LYS   5           HE1      LYS   5   0.261  10.232  -5.700
   40    HZ1  LYS   5           HZ1      LYS   5  -0.177  12.588  -5.608
   41    HZ2  LYS   5           HZ2      LYS   5  -1.315  12.371  -4.378
   42    HZ3  LYS   5           HZ3      LYS   5  -1.615  11.755  -5.923
   43    H    GLU   6           HN       GLU   6  -1.417   6.853  -0.165
   44    HA   GLU   6           HA       GLU   6   1.047   8.130   0.474
   45    HB2  GLU   6           HB2      GLU   6  -1.182   7.199   2.288
   46    HB3  GLU   6           HB1      GLU   6   0.167   8.205   2.794
   47    HG2  GLU   6           HG2      GLU   6  -0.595   9.841   1.000
   48    HG3  GLU   6           HG1      GLU   6  -2.076   8.890   0.928
   49    H    LEU   7           HN       LEU   7  -0.254   4.919   1.048
   50    HA   LEU   7           HA       LEU   7   1.854   4.020   2.717
   51    HB2  LEU   7           HB2      LEU   7  -0.056   2.531   0.920
   52    HB3  LEU   7           HB1      LEU   7   1.080   1.738   1.993
   53    HG   LEU   7           HG       LEU   7  -1.043   3.650   2.969
   54   HD11  LEU   7          HD11      LEU   7  -1.131   0.636   2.845
   55   HD12  LEU   7          HD12      LEU   7  -2.115   1.741   1.886
   56   HD13  LEU   7          HD13      LEU   7  -2.317   1.674   3.635
   57   HD21  LEU   7          HD21      LEU   7   0.866   3.332   4.461
   58   HD22  LEU   7          HD22      LEU   7   0.640   1.584   4.383
   59   HD23  LEU   7          HD23      LEU   7  -0.593   2.602   5.126
   60    H    LYS   8           HN       LYS   8   1.279   3.877  -0.759
   61    HA   LYS   8           HA       LYS   8   3.599   2.462  -1.464
   62    HB2  LYS   8           HB2      LYS   8   1.593   2.878  -2.914
   63    HB3  LYS   8           HB1      LYS   8   2.127   4.539  -3.100
   64    HG2  LYS   8           HG2      LYS   8   3.891   2.247  -3.877
   65    HG3  LYS   8           HG1      LYS   8   2.648   2.860  -4.965
   66    HD2  LYS   8           HD2      LYS   8   3.666   5.104  -4.809
   67    HD3  LYS   8           HD1      LYS   8   4.935   4.433  -3.785
   68    HE2  LYS   8           HE2      LYS   8   5.693   4.638  -6.090
   69    HE3  LYS   8           HE1      LYS   8   5.615   2.947  -5.601
   70    HZ1  LYS   8           HZ1      LYS   8   4.707   3.325  -7.823
   71    HZ2  LYS   8           HZ2      LYS   8   3.534   4.358  -7.176
   72    HZ3  LYS   8           HZ3      LYS   8   3.536   2.721  -6.766
   73    H    LYS   9           HN       LYS   9   2.965   5.920  -1.089
   74    HA   LYS   9           HA       LYS   9   5.515   6.814  -1.887
   75    HB2  LYS   9           HB2      LYS   9   3.582   8.310  -1.737
   76    HB3  LYS   9           HB1      LYS   9   3.520   8.078   0.002
   77    HG2  LYS   9           HG2      LYS   9   5.740   9.122   0.201
   78    HG3  LYS   9           HG1      LYS   9   5.737   9.402  -1.541
   79    HD2  LYS   9           HD2      LYS   9   3.786  10.824  -1.341
   80    HD3  LYS   9           HD1      LYS   9   3.688  10.486   0.387
   81    HE2  LYS   9           HE2      LYS   9   4.712  12.659  -0.019
   82    HE3  LYS   9           HE1      LYS   9   5.864  11.551   0.719
   83    HZ1  LYS   9           HZ1      LYS   9   6.863  12.817  -1.079
   84    HZ2  LYS   9           HZ2      LYS   9   5.726  12.212  -2.171
   85    HZ3  LYS   9           HZ3      LYS   9   6.841  11.169  -1.451
   86    H    ARG  10           HN       ARG  10   4.161   5.989   1.268
   87    HA   ARG  10           HA       ARG  10   6.384   6.764   2.814
   88    HB2  ARG  10           HB2      ARG  10   4.223   6.502   3.830
   89    HB3  ARG  10           HB1      ARG  10   4.148   4.813   3.352
   90    HG2  ARG  10           HG2      ARG  10   5.997   4.294   4.856
   91    HG3  ARG  10           HG1      ARG  10   6.087   5.994   5.329
   92    HD2  ARG  10           HD2      ARG  10   3.981   5.919   6.381
   93    HD3  ARG  10           HD1      ARG  10   3.569   4.384   5.624
   94    HE   ARG  10           HE       ARG  10   5.834   3.942   7.177
   95   HH11  ARG  10          HH11      ARG  10   2.386   4.203   9.217
   96   HH12  ARG  10          HH12      ARG  10   2.523   4.943   7.657
   97   HH21  ARG  10          HH21      ARG  10   5.665   2.962   9.234
   98   HH22  ARG  10          HH22      ARG  10   4.178   3.073  10.119
   99    H    TYR  11           HN       TYR  11   5.385   3.563   1.617
  100    HA   TYR  11           HA       TYR  11   7.739   2.372   2.818
  101    HB2  TYR  11           HB2      TYR  11   5.394   1.204   1.342
  102    HB3  TYR  11           HB1      TYR  11   6.752   0.241   1.910
  103    HD1  TYR  11           HD1      TYR  11   7.193   0.037   4.334
  104    HD2  TYR  11           HD2      TYR  11   3.699   1.953   2.851
  105    HE1  TYR  11           HE1      TYR  11   6.143  -0.184   6.543
  106    HE2  TYR  11           HE2      TYR  11   2.641   1.737   5.058
  107    HH   TYR  11           HH       TYR  11   4.371   0.890   7.859
  108    H    ORN  12           HT1      ORN  12  10.782   0.404  -4.922
  109    HA   ORN  12           HA       ORN  12  10.470   1.346  -2.135
  110    HB2  ORN  12           HB1      ORN  12   8.449   1.370  -4.388
  111    HB3  ORN  12           HB2      ORN  12   9.419   2.768  -3.947
  112    HG2  ORN  12           HG1      ORN  12   7.563   1.354  -2.050
  113    HG3  ORN  12           HG2      ORN  12   7.112   2.762  -3.008
  114    HD2  ORN  12           HD1      ORN  12   8.552   4.167  -1.854
  115    HD3  ORN  12           HD2      ORN  12   9.539   2.837  -1.264
  116    HE1  ORN  12           HE       ORN  12   7.095   3.842  -0.094
  117    H    CYS  13           HN       CYS  13   8.910   0.127  -0.908
  118    HA   CYS  13           HA       CYS  13   8.911  -2.669  -1.436
  119    HB2  CYS  13           HB2      CYS  13   7.249  -1.065   0.511
  120    HB3  CYS  13           HB1      CYS  13   7.391  -2.816   0.505
  121    H    GLU  14           HN       GLU  14   7.129  -4.006  -1.914
  122    HA   GLU  14           HA       GLU  14   5.338  -2.823  -3.851
  123    HB2  GLU  14           HB2      GLU  14   5.513  -5.680  -2.889
  124    HB3  GLU  14           HB1      GLU  14   4.653  -5.116  -4.312
  125    HG2  GLU  14           HG2      GLU  14   6.750  -4.508  -5.361
  126    HG3  GLU  14           HG1      GLU  14   7.635  -5.003  -3.916
  127    H    VAL  15           HN       VAL  15   3.861  -1.607  -2.730
  128    HA   VAL  15           HA       VAL  15   2.378  -2.820  -0.554
  129    HB   VAL  15           HB       VAL  15   1.976  -0.125  -1.867
  130   HG11  VAL  15          HG11      VAL  15   0.868  -1.245   0.705
  131   HG12  VAL  15          HG12      VAL  15  -0.043  -0.946  -0.776
  132   HG13  VAL  15          HG13      VAL  15   0.649   0.405   0.123
  133   HG21  VAL  15          HG21      VAL  15   3.450  -0.903   0.642
  134   HG22  VAL  15          HG22      VAL  15   3.044   0.753   0.199
  135   HG23  VAL  15          HG23      VAL  15   4.137  -0.190  -0.817
  136    H    ARG  16           HN       ARG  16   1.132  -4.411  -1.303
  137    HA   ARG  16           HA       ARG  16  -0.383  -4.073  -3.756
  138    HB2  ARG  16           HB2      ARG  16  -0.357  -6.397  -1.828
  139    HB3  ARG  16           HB1      ARG  16  -1.071  -6.388  -3.431
  140    HG2  ARG  16           HG2      ARG  16   1.861  -6.107  -2.803
  141    HG3  ARG  16           HG1      ARG  16   1.064  -7.554  -3.414
  142    HD2  ARG  16           HD2      ARG  16   1.265  -4.899  -4.836
  143    HD3  ARG  16           HD1      ARG  16   2.208  -6.341  -5.199
  144    HE   ARG  16           HE       ARG  16  -0.731  -6.336  -5.454
  145   HH11  ARG  16          HH11      ARG  16   2.459  -6.867  -6.813
  146   HH12  ARG  16          HH12      ARG  16   1.847  -7.545  -8.288
  147   HH21  ARG  16          HH21      ARG  16  -0.414  -7.735  -8.623
  148   HH22  ARG  16          HH22      ARG  16  -1.525  -7.207  -7.398
  149    H    CYS  17           HN       CYS  17  -2.147  -2.912  -3.640
  150    HA   CYS  17           HA       CYS  17  -3.650  -2.796  -1.144
  151    HB2  CYS  17           HB2      CYS  17  -3.881  -1.130  -3.656
  152    HB3  CYS  17           HB1      CYS  17  -4.753  -0.843  -2.155
  153    H    ASP  18           HN       ASP  18  -5.138  -4.326  -0.961
  154    HA   ASP  18           HA       ASP  18  -6.930  -4.771  -3.260
  155    HB2  ASP  18           HB2      ASP  18  -5.523  -6.771  -2.660
  156    HB3  ASP  18           HB1      ASP  18  -6.315  -6.786  -1.089
  157    HA   DPR  19           HA       DPR  19 -10.414  -3.694  -0.791
  158    HB2  DPR  19           HB1      DPR  19 -10.339  -0.964  -1.014
  159    HB3  DPR  19           HB2      DPR  19 -10.997  -2.052  -2.239
  160    HG2  DPR  19           HG1      DPR  19  -8.320  -0.734  -2.109
  161    HG3  DPR  19           HG2      DPR  19  -9.373  -0.994  -3.509
  162    HD2  DPR  19           HD1      DPR  19  -7.221  -2.537  -3.038
  163    HD3  DPR  19           HD2      DPR  19  -8.703  -3.191  -3.766
  164    HA   PRO  20           HA       PRO  20  -9.236  -1.850   3.112
  165    HB2  PRO  20           HB2      PRO  20 -10.130  -3.829   4.681
  166    HB3  PRO  20           HB1      PRO  20 -11.241  -2.732   3.851
  167    HG2  PRO  20           HG2      PRO  20 -10.409  -5.507   3.102
  168    HG3  PRO  20           HG1      PRO  20 -12.024  -4.780   3.076
  169    HD2  PRO  20           HD2      PRO  20 -10.448  -5.038   0.857
  170    HD3  PRO  20           HD1      PRO  20 -11.669  -3.766   1.053
  171    H    ARG  21           HN       ARG  21  -7.859  -4.467   1.525
  172    HA   ARG  21           HA       ARG  21  -6.076  -5.097   3.775
  173    HB2  ARG  21           HB2      ARG  21  -6.576  -6.595   1.200
  174    HB3  ARG  21           HB1      ARG  21  -5.409  -7.073   2.423
  175    HG2  ARG  21           HG2      ARG  21  -7.230  -7.315   4.048
  176    HG3  ARG  21           HG1      ARG  21  -8.391  -6.886   2.792
  177    HD2  ARG  21           HD2      ARG  21  -6.523  -9.255   2.729
  178    HD3  ARG  21           HD1      ARG  21  -8.238  -9.316   3.129
  179    HE   ARG  21           HE       ARG  21  -7.842  -8.129   0.576
  180   HH11  ARG  21          HH11      ARG  21  -7.825 -11.221   2.222
  181   HH12  ARG  21          HH12      ARG  21  -8.234 -12.123   0.801
  182   HH21  ARG  21          HH21      ARG  21  -8.394  -9.308  -1.299
  183   HH22  ARG  21          HH22      ARG  21  -8.567 -11.039  -1.198
  184    H    TYR  22           HN       TYR  22  -3.955  -4.674   3.685
  185    HA   TYR  22           HA       TYR  22  -2.813  -3.723   1.155
  186    HB2  TYR  22           HB2      TYR  22  -2.384  -2.404   3.846
  187    HB3  TYR  22           HB1      TYR  22  -1.638  -1.928   2.325
  188    HD1  TYR  22           HD1      TYR  22  -2.978  -0.848   0.572
  189    HD2  TYR  22           HD2      TYR  22  -4.643  -1.803   4.364
  190    HE1  TYR  22           HE1      TYR  22  -4.874   0.644   0.109
  191    HE2  TYR  22           HE2      TYR  22  -6.539  -0.314   3.913
  192    HH   TYR  22           HH       TYR  22  -7.276   0.857   0.877
  193    H    GLU  23           HN       GLU  23  -1.204  -5.024   0.663
  194    HA   GLU  23           HA       GLU  23   0.279  -6.333   2.840
  195    HB2  GLU  23           HB2      GLU  23   0.029  -7.078  -0.075
  196    HB3  GLU  23           HB1      GLU  23   1.023  -7.932   1.091
  197    HG2  GLU  23           HG2      GLU  23  -1.963  -7.624   1.279
  198    HG3  GLU  23           HG1      GLU  23  -1.127  -9.040   0.645
  199    H    VAL  24           HN       VAL  24   2.010  -5.167   3.350
  200    HA   VAL  24           HA       VAL  24   3.486  -3.749   1.286
  201    HB   VAL  24           HB       VAL  24   3.965  -3.887   4.271
  202   HG11  VAL  24          HG11      VAL  24   6.022  -3.423   3.044
  203   HG12  VAL  24          HG12      VAL  24   5.477  -1.993   3.919
  204   HG13  VAL  24          HG13      VAL  24   5.221  -2.111   2.179
  205   HG21  VAL  24          HG21      VAL  24   1.875  -2.763   3.715
  206   HG22  VAL  24          HG22      VAL  24   2.723  -1.727   2.568
  207   HG23  VAL  24          HG23      VAL  24   3.068  -1.599   4.293
  208    H    HIS  25           HN       HIS  25   4.466  -5.293   0.080
  209    HA   HIS  25           HA       HIS  25   6.165  -7.254   1.449
  210    HB2  HIS  25           HB2      HIS  25   4.527  -8.109  -0.207
  211    HB3  HIS  25           HB1      HIS  25   5.307  -7.146  -1.449
  212    HD1  HIS  25           HD1      HIS  25   7.172  -8.234  -2.704
  213    HD2  HIS  25           HD2      HIS  25   6.280 -10.207   0.854
  214    HE1  HIS  25           HE1      HIS  25   8.584 -10.319  -2.702
  215    HE2  HIS  25           HE2      HIS  25   7.857 -11.589  -0.655
  216    H    CYS  26           HN       CYS  26   8.005  -6.150   1.923
  217    HA   CYS  26           HA       CYS  26   9.331  -4.540  -0.071
  218    HB2  CYS  26           HB2      CYS  26  10.256  -5.422   2.672
  219    HB3  CYS  26           HB1      CYS  26  11.066  -4.238   1.652
  220    HN1  NH2  27           HN1      NH2  27   9.662  -6.072  -1.701
  221    HN2  NH2  27           HN2      NH2  27  10.854  -7.318  -1.574
  Start of MODEL    6
    1    H1   ASN   1           HT1      ASN   1  -8.505   4.593  -4.107
    2    H2   ASN   1           HT2      ASN   1  -8.572   5.884  -5.192
    3    H3   ASN   1           HT3      ASN   1  -9.886   5.565  -4.180
    4    HA   ASN   1           HA       ASN   1  -8.629   7.457  -3.397
    5    HB2  ASN   1           HB2      ASN   1  -8.578   4.942  -1.734
    6    HB3  ASN   1           HB1      ASN   1  -8.057   6.489  -1.082
    7   HD21  ASN   1          HD21      ASN   1 -10.006   8.080  -2.483
    8   HD22  ASN   1          HD22      ASN   1 -11.538   7.744  -1.755
    9    H    ASP   2           HN       ASP   2  -6.668   8.283  -2.498
   10    HA   ASP   2           HA       ASP   2  -4.362   7.163  -3.853
   11    HB2  ASP   2           HB2      ASP   2  -3.264   9.264  -3.351
   12    HB3  ASP   2           HB1      ASP   2  -4.863   9.583  -4.002
   13    H    LYS   3           HN       LYS   3  -5.649   6.166  -1.216
   14    HA   LYS   3           HA       LYS   3  -3.782   6.426   0.861
   15    HB2  LYS   3           HB2      LYS   3  -5.744   4.224   0.213
   16    HB3  LYS   3           HB1      LYS   3  -4.753   4.217   1.662
   17    HG2  LYS   3           HG2      LYS   3  -5.790   6.308   2.384
   18    HG3  LYS   3           HG1      LYS   3  -6.781   6.318   0.925
   19    HD2  LYS   3           HD2      LYS   3  -7.854   4.253   1.604
   20    HD3  LYS   3           HD1      LYS   3  -6.804   4.147   3.020
   21    HE2  LYS   3           HE2      LYS   3  -7.755   6.229   3.878
   22    HE3  LYS   3           HE1      LYS   3  -8.796   6.341   2.462
   23    HZ1  LYS   3           HZ1      LYS   3  -9.949   5.432   4.396
   24    HZ2  LYS   3           HZ2      LYS   3  -8.862   4.138   4.454
   25    HZ3  LYS   3           HZ3      LYS   3  -9.897   4.315   3.129
   26    H    CYS   4           HN       CYS   4  -4.019   4.158  -1.812
   27    HA   CYS   4           HA       CYS   4  -1.940   2.434  -1.055
   28    HB2  CYS   4           HB2      CYS   4  -2.891   3.139  -3.836
   29    HB3  CYS   4           HB1      CYS   4  -1.924   1.732  -3.408
   30    H    LYS   5           HN       LYS   5  -1.967   5.484  -2.777
   31    HA   LYS   5           HA       LYS   5   0.769   5.341  -3.595
   32    HB2  LYS   5           HB2      LYS   5  -1.230   7.598  -3.523
   33    HB3  LYS   5           HB1      LYS   5   0.423   7.809  -4.084
   34    HG2  LYS   5           HG2      LYS   5   0.060   6.207  -5.859
   35    HG3  LYS   5           HG1      LYS   5  -1.573   5.892  -5.272
   36    HD2  LYS   5           HD2      LYS   5  -2.200   8.200  -5.736
   37    HD3  LYS   5           HD1      LYS   5  -0.555   8.551  -6.274
   38    HE2  LYS   5           HE2      LYS   5  -2.051   8.180  -8.169
   39    HE3  LYS   5           HE1      LYS   5  -0.796   6.945  -8.092
   40    HZ1  LYS   5           HZ1      LYS   5  -2.966   5.995  -8.572
   41    HZ2  LYS   5           HZ2      LYS   5  -3.585   6.622  -7.131
   42    HZ3  LYS   5           HZ3      LYS   5  -2.383   5.437  -7.086
   43    H    GLU   6           HN       GLU   6  -0.989   6.810  -0.910
   44    HA   GLU   6           HA       GLU   6   1.218   8.176   0.210
   45    HB2  GLU   6           HB2      GLU   6  -1.316   7.111   1.461
   46    HB3  GLU   6           HB1      GLU   6  -0.133   8.066   2.345
   47    HG2  GLU   6           HG2      GLU   6  -1.648   8.965  -0.095
   48    HG3  GLU   6           HG1      GLU   6  -1.997   9.426   1.569
   49    H    LEU   7           HN       LEU   7  -0.140   4.960   0.788
   50    HA   LEU   7           HA       LEU   7   1.761   4.167   2.720
   51    HB2  LEU   7           HB2      LEU   7   0.036   2.568   0.836
   52    HB3  LEU   7           HB1      LEU   7   1.022   1.847   2.091
   53    HG   LEU   7           HG       LEU   7  -1.127   3.879   2.689
   54   HD11  LEU   7          HD11      LEU   7  -2.566   2.007   3.298
   55   HD12  LEU   7          HD12      LEU   7  -1.344   0.870   2.732
   56   HD13  LEU   7          HD13      LEU   7  -2.145   1.945   1.587
   57   HD21  LEU   7          HD21      LEU   7  -0.969   2.966   4.939
   58   HD22  LEU   7          HD22      LEU   7   0.603   3.552   4.401
   59   HD23  LEU   7          HD23      LEU   7   0.262   1.823   4.406
   60    H    LYS   8           HN       LYS   8   1.643   3.864  -0.796
   61    HA   LYS   8           HA       LYS   8   3.926   2.298  -1.160
   62    HB2  LYS   8           HB2      LYS   8   2.261   2.849  -2.925
   63    HB3  LYS   8           HB1      LYS   8   2.893   4.488  -2.969
   64    HG2  LYS   8           HG2      LYS   8   5.075   3.610  -3.670
   65    HG3  LYS   8           HG1      LYS   8   4.400   1.980  -3.672
   66    HD2  LYS   8           HD2      LYS   8   2.712   2.749  -5.330
   67    HD3  LYS   8           HD1      LYS   8   3.547   4.301  -5.395
   68    HE2  LYS   8           HE2      LYS   8   4.726   1.615  -6.098
   69    HE3  LYS   8           HE1      LYS   8   4.219   2.856  -7.243
   70    HZ1  LYS   8           HZ1      LYS   8   6.597   2.910  -6.903
   71    HZ2  LYS   8           HZ2      LYS   8   6.394   3.125  -5.240
   72    HZ3  LYS   8           HZ3      LYS   8   5.900   4.331  -6.313
   73    H    LYS   9           HN       LYS   9   3.555   5.821  -1.061
   74    HA   LYS   9           HA       LYS   9   6.278   6.435  -1.410
   75    HB2  LYS   9           HB2      LYS   9   4.541   8.108  -1.722
   76    HB3  LYS   9           HB1      LYS   9   4.080   7.986  -0.031
   77    HG2  LYS   9           HG2      LYS   9   5.378   9.980  -0.395
   78    HG3  LYS   9           HG1      LYS   9   6.279   8.853   0.617
   79    HD2  LYS   9           HD2      LYS   9   7.515   8.108  -1.404
   80    HD3  LYS   9           HD1      LYS   9   6.676   9.354  -2.330
   81    HE2  LYS   9           HE2      LYS   9   8.861  10.157  -1.691
   82    HE3  LYS   9           HE1      LYS   9   7.623  11.065  -0.827
   83    HZ1  LYS   9           HZ1      LYS   9   9.450  10.443   0.625
   84    HZ2  LYS   9           HZ2      LYS   9   9.189   8.808   0.289
   85    HZ3  LYS   9           HZ3      LYS   9   8.016   9.697   1.117
   86    H    ARG  10           HN       ARG  10   4.311   5.907   1.465
   87    HA   ARG  10           HA       ARG  10   6.212   6.590   3.401
   88    HB2  ARG  10           HB2      ARG  10   3.855   6.349   3.915
   89    HB3  ARG  10           HB1      ARG  10   3.911   4.640   3.515
   90    HG2  ARG  10           HG2      ARG  10   5.411   4.239   5.397
   91    HG3  ARG  10           HG1      ARG  10   5.351   5.961   5.803
   92    HD2  ARG  10           HD2      ARG  10   2.991   5.831   6.236
   93    HD3  ARG  10           HD1      ARG  10   2.932   4.168   5.664
   94    HE   ARG  10           HE       ARG  10   4.738   4.268   7.788
   95   HH11  ARG  10          HH11      ARG  10   0.847   4.242   8.791
   96   HH12  ARG  10          HH12      ARG  10   1.330   4.782   7.214
   97   HH21  ARG  10          HH21      ARG  10   4.113   3.562   9.880
   98   HH22  ARG  10          HH22      ARG  10   2.434   3.553  10.309
   99    H    TYR  11           HN       TYR  11   5.466   3.468   1.887
  100    HA   TYR  11           HA       TYR  11   7.565   2.178   3.420
  101    HB2  TYR  11           HB2      TYR  11   5.512   1.180   1.470
  102    HB3  TYR  11           HB1      TYR  11   6.821   0.155   2.040
  103    HD1  TYR  11           HD1      TYR  11   6.835  -0.735   4.251
  104    HD2  TYR  11           HD2      TYR  11   3.782   1.979   3.055
  105    HE1  TYR  11           HE1      TYR  11   5.550  -1.300   6.267
  106    HE2  TYR  11           HE2      TYR  11   2.491   1.419   5.067
  107    HH   TYR  11           HH       TYR  11   2.281  -0.362   6.687
  108    H    ORN  12           HT1      ORN  12  12.424   0.382  -2.665
  109    HA   ORN  12           HA       ORN  12  10.954   1.527  -1.174
  110    HB2  ORN  12           HB1      ORN  12   9.488   2.405  -3.674
  111    HB3  ORN  12           HB2      ORN  12  10.552   3.451  -2.744
  112    HG2  ORN  12           HG1      ORN  12   8.115   2.104  -1.610
  113    HG3  ORN  12           HG2      ORN  12   8.129   3.742  -2.258
  114    HD2  ORN  12           HD1      ORN  12   9.432   4.554  -0.543
  115    HD3  ORN  12           HD2      ORN  12  10.114   2.978  -0.173
  116    HE1  ORN  12           HE       ORN  12   7.571   4.035   0.752
  117    H    CYS  13           HN       CYS  13   9.125   0.398  -0.423
  118    HA   CYS  13           HA       CYS  13   8.707  -2.133  -1.749
  119    HB2  CYS  13           HB2      CYS  13   7.385  -1.070   0.745
  120    HB3  CYS  13           HB1      CYS  13   7.435  -2.744   0.215
  121    H    GLU  14           HN       GLU  14   6.869  -2.843  -2.695
  122    HA   GLU  14           HA       GLU  14   5.011  -0.781  -3.570
  123    HB2  GLU  14           HB2      GLU  14   5.355  -3.667  -4.399
  124    HB3  GLU  14           HB1      GLU  14   4.199  -2.553  -5.116
  125    HG2  GLU  14           HG2      GLU  14   7.193  -2.236  -5.154
  126    HG3  GLU  14           HG1      GLU  14   6.200  -2.813  -6.489
  127    H    VAL  15           HN       VAL  15   2.971  -0.615  -2.842
  128    HA   VAL  15           HA       VAL  15   2.140  -2.557  -0.813
  129    HB   VAL  15           HB       VAL  15   1.053   0.208  -1.356
  130   HG11  VAL  15          HG11      VAL  15  -0.057  -0.049   0.821
  131   HG12  VAL  15          HG12      VAL  15   0.520  -1.714   0.907
  132   HG13  VAL  15          HG13      VAL  15  -0.620  -1.239  -0.353
  133   HG21  VAL  15          HG21      VAL  15   3.318   0.343  -0.542
  134   HG22  VAL  15          HG22      VAL  15   2.956  -0.789   0.755
  135   HG23  VAL  15          HG23      VAL  15   2.211   0.808   0.749
  136    H    ARG  16           HN       ARG  16   0.756  -4.041  -1.382
  137    HA   ARG  16           HA       ARG  16  -0.852  -3.698  -3.791
  138    HB2  ARG  16           HB2      ARG  16  -0.404  -6.132  -2.054
  139    HB3  ARG  16           HB1      ARG  16  -1.304  -6.110  -3.562
  140    HG2  ARG  16           HG2      ARG  16   0.717  -5.509  -4.778
  141    HG3  ARG  16           HG1      ARG  16   1.628  -5.487  -3.268
  142    HD2  ARG  16           HD2      ARG  16   1.997  -7.578  -4.439
  143    HD3  ARG  16           HD1      ARG  16   1.116  -7.865  -2.939
  144    HE   ARG  16           HE       ARG  16  -0.551  -7.554  -5.278
  145   HH11  ARG  16          HH11      ARG  16   1.204  -9.797  -3.247
  146   HH12  ARG  16          HH12      ARG  16   0.255 -11.168  -3.723
  147   HH21  ARG  16          HH21      ARG  16  -1.454 -10.920  -5.239
  148   HH22  ARG  16          HH22      ARG  16  -1.812  -9.357  -5.899
  149    H    CYS  17           HN       CYS  17  -2.763  -2.801  -3.528
  150    HA   CYS  17           HA       CYS  17  -4.135  -3.006  -0.975
  151    HB2  CYS  17           HB2      CYS  17  -4.825  -1.426  -3.457
  152    HB3  CYS  17           HB1      CYS  17  -5.644  -1.301  -1.903
  153    H    ASP  18           HN       ASP  18  -5.515  -4.570  -0.631
  154    HA   ASP  18           HA       ASP  18  -7.246  -5.457  -2.844
  155    HB2  ASP  18           HB2      ASP  18  -5.555  -7.201  -2.180
  156    HB3  ASP  18           HB1      ASP  18  -6.272  -7.210  -0.575
  157    HA   DPR  19           HA       DPR  19 -10.706  -4.752  -0.157
  158    HB2  DPR  19           HB1      DPR  19 -11.235  -2.152  -0.826
  159    HB3  DPR  19           HB2      DPR  19 -11.754  -3.549  -1.773
  160    HG2  DPR  19           HG1      DPR  19  -9.440  -1.714  -2.199
  161    HG3  DPR  19           HG2      DPR  19 -10.517  -2.456  -3.393
  162    HD2  DPR  19           HD1      DPR  19  -8.014  -3.375  -2.898
  163    HD3  DPR  19           HD2      DPR  19  -9.344  -4.440  -3.402
  164    HA   PRO  20           HA       PRO  20  -9.404  -1.987   3.149
  165    HB2  PRO  20           HB2      PRO  20 -10.002  -3.622   5.179
  166    HB3  PRO  20           HB1      PRO  20 -11.268  -2.803   4.256
  167    HG2  PRO  20           HG2      PRO  20 -10.302  -5.624   4.059
  168    HG3  PRO  20           HG1      PRO  20 -11.959  -5.004   3.997
  169    HD2  PRO  20           HD2      PRO  20 -10.464  -5.681   1.782
  170    HD3  PRO  20           HD1      PRO  20 -11.822  -4.541   1.768
  171    H    ARG  21           HN       ARG  21  -7.984  -4.757   1.943
  172    HA   ARG  21           HA       ARG  21  -6.020  -4.987   4.105
  173    HB2  ARG  21           HB2      ARG  21  -6.327  -6.664   1.611
  174    HB3  ARG  21           HB1      ARG  21  -5.244  -6.992   2.953
  175    HG2  ARG  21           HG2      ARG  21  -7.181  -7.303   4.423
  176    HG3  ARG  21           HG1      ARG  21  -8.253  -7.005   3.054
  177    HD2  ARG  21           HD2      ARG  21  -8.061  -9.375   3.356
  178    HD3  ARG  21           HD1      ARG  21  -7.201  -8.929   1.885
  179    HE   ARG  21           HE       ARG  21  -5.959  -9.704   4.443
  180   HH11  ARG  21          HH11      ARG  21  -5.702  -9.107   0.997
  181   HH12  ARG  21          HH12      ARG  21  -4.110  -9.797   0.862
  182   HH21  ARG  21          HH21      ARG  21  -3.888 -10.641   4.264
  183   HH22  ARG  21          HH22      ARG  21  -3.096 -10.693   2.721
  184    H    TYR  22           HN       TYR  22  -3.899  -4.501   3.855
  185    HA   TYR  22           HA       TYR  22  -2.995  -3.566   1.221
  186    HB2  TYR  22           HB2      TYR  22  -2.344  -2.230   3.858
  187    HB3  TYR  22           HB1      TYR  22  -1.744  -1.753   2.276
  188    HD1  TYR  22           HD1      TYR  22  -3.257  -0.724   0.634
  189    HD2  TYR  22           HD2      TYR  22  -4.540  -1.624   4.585
  190    HE1  TYR  22           HE1      TYR  22  -5.184   0.763   0.338
  191    HE2  TYR  22           HE2      TYR  22  -6.473  -0.139   4.303
  192    HH   TYR  22           HH       TYR  22  -7.449   1.058   1.293
  193    H    GLU  23           HN       GLU  23  -1.551  -5.025   0.629
  194    HA   GLU  23           HA       GLU  23   0.150  -6.257   2.671
  195    HB2  GLU  23           HB2      GLU  23  -0.447  -7.066  -0.170
  196    HB3  GLU  23           HB1      GLU  23   0.692  -7.899   0.874
  197    HG2  GLU  23           HG2      GLU  23  -1.134  -8.379   2.449
  198    HG3  GLU  23           HG1      GLU  23  -2.267  -7.608   1.338
  199    H    VAL  24           HN       VAL  24   2.048  -5.336   2.961
  200    HA   VAL  24           HA       VAL  24   3.224  -3.751   0.849
  201    HB   VAL  24           HB       VAL  24   4.957  -3.147   2.484
  202   HG11  VAL  24          HG11      VAL  24   3.520  -1.930   4.036
  203   HG12  VAL  24          HG12      VAL  24   2.160  -2.964   3.600
  204   HG13  VAL  24          HG13      VAL  24   2.865  -1.885   2.400
  205   HG21  VAL  24          HG21      VAL  24   5.069  -5.271   3.707
  206   HG22  VAL  24          HG22      VAL  24   3.476  -4.955   4.394
  207   HG23  VAL  24          HG23      VAL  24   4.833  -3.902   4.793
  208    H    HIS  25           HN       HIS  25   4.625  -4.463  -0.570
  209    HA   HIS  25           HA       HIS  25   6.106  -6.929   0.036
  210    HB2  HIS  25           HB2      HIS  25   4.279  -7.355  -1.573
  211    HB3  HIS  25           HB1      HIS  25   4.947  -6.126  -2.638
  212    HD1  HIS  25           HD1      HIS  25   6.839  -6.810  -4.171
  213    HD2  HIS  25           HD2      HIS  25   5.875  -9.734  -1.381
  214    HE1  HIS  25           HE1      HIS  25   8.139  -8.849  -4.850
  215    HE2  HIS  25           HE2      HIS  25   7.436 -10.641  -3.231
  216    H    CYS  26           HN       CYS  26   8.157  -6.399   0.272
  217    HA   CYS  26           HA       CYS  26   9.276  -4.168  -1.228
  218    HB2  CYS  26           HB2      CYS  26  10.555  -5.879   0.915
  219    HB3  CYS  26           HB1      CYS  26  11.177  -4.360   0.276
  220    HN1  NH2  27           HN1      NH2  27   9.369  -5.067  -3.273
  221    HN2  NH2  27           HN2      NH2  27  10.477  -6.326  -3.699
  Start of MODEL    7
    1    H1   ASN   1           HT1      ASN   1  -7.888   5.786  -5.359
    2    H2   ASN   1           HT2      ASN   1  -8.795   4.372  -5.191
    3    H3   ASN   1           HT3      ASN   1  -7.127   4.280  -5.436
    4    HA   ASN   1           HA       ASN   1  -8.455   5.440  -3.065
    5    HB2  ASN   1           HB2      ASN   1  -8.687   3.021  -3.095
    6    HB3  ASN   1           HB1      ASN   1  -6.974   2.831  -3.451
    7   HD21  ASN   1          HD21      ASN   1  -9.334   3.568  -1.011
    8   HD22  ASN   1          HD22      ASN   1  -8.253   3.452   0.338
    9    H    ASP   2           HN       ASP   2  -7.239   6.929  -2.090
   10    HA   ASP   2           HA       ASP   2  -4.587   7.450  -3.050
   11    HB2  ASP   2           HB2      ASP   2  -4.607   9.394  -1.606
   12    HB3  ASP   2           HB1      ASP   2  -6.133   9.283  -2.467
   13    H    LYS   3           HN       LYS   3  -5.868   5.672  -0.383
   14    HA   LYS   3           HA       LYS   3  -3.729   5.834   1.412
   15    HB2  LYS   3           HB2      LYS   3  -5.814   3.766   0.877
   16    HB3  LYS   3           HB1      LYS   3  -4.450   3.336   1.894
   17    HG2  LYS   3           HG2      LYS   3  -6.226   4.013   3.305
   18    HG3  LYS   3           HG1      LYS   3  -5.005   5.281   3.341
   19    HD2  LYS   3           HD2      LYS   3  -6.320   6.603   1.768
   20    HD3  LYS   3           HD1      LYS   3  -7.532   5.321   1.697
   21    HE2  LYS   3           HE2      LYS   3  -8.219   7.123   3.210
   22    HE3  LYS   3           HE1      LYS   3  -7.995   5.601   4.072
   23    HZ1  LYS   3           HZ1      LYS   3  -7.036   7.471   5.271
   24    HZ2  LYS   3           HZ2      LYS   3  -6.021   7.818   3.964
   25    HZ3  LYS   3           HZ3      LYS   3  -5.837   6.369   4.815
   26    H    CYS   4           HN       CYS   4  -4.237   3.803  -1.414
   27    HA   CYS   4           HA       CYS   4  -2.004   2.163  -1.228
   28    HB2  CYS   4           HB2      CYS   4  -3.321   3.320  -3.692
   29    HB3  CYS   4           HB1      CYS   4  -2.169   1.988  -3.705
   30    H    LYS   5           HN       LYS   5  -2.341   5.387  -2.604
   31    HA   LYS   5           HA       LYS   5   0.298   5.544  -3.635
   32    HB2  LYS   5           HB2      LYS   5  -1.613   6.890  -4.474
   33    HB3  LYS   5           HB1      LYS   5  -1.635   7.770  -2.953
   34    HG2  LYS   5           HG2      LYS   5   0.674   8.533  -3.422
   35    HG3  LYS   5           HG1      LYS   5   0.569   7.751  -5.000
   36    HD2  LYS   5           HD2      LYS   5  -1.361   9.164  -5.558
   37    HD3  LYS   5           HD1      LYS   5  -1.222   9.960  -3.989
   38    HE2  LYS   5           HE2      LYS   5   1.036  10.718  -4.592
   39    HE3  LYS   5           HE1      LYS   5   0.866   9.948  -6.166
   40    HZ1  LYS   5           HZ1      LYS   5   0.409  12.300  -6.303
   41    HZ2  LYS   5           HZ2      LYS   5  -0.797  12.176  -5.128
   42    HZ3  LYS   5           HZ3      LYS   5  -1.001  11.425  -6.628
   43    H    GLU   6           HN       GLU   6  -1.241   6.535  -0.635
   44    HA   GLU   6           HA       GLU   6   1.000   8.021   0.323
   45    HB2  GLU   6           HB2      GLU   6  -1.473   6.963   1.680
   46    HB3  GLU   6           HB1      GLU   6  -0.259   7.930   2.508
   47    HG2  GLU   6           HG2      GLU   6  -1.804   8.811   0.080
   48    HG3  GLU   6           HG1      GLU   6  -2.187   9.251   1.741
   49    H    LEU   7           HN       LEU   7  -0.152   4.728   0.760
   50    HA   LEU   7           HA       LEU   7   1.808   4.011   2.699
   51    HB2  LEU   7           HB2      LEU   7   0.152   2.341   0.809
   52    HB3  LEU   7           HB1      LEU   7   1.176   1.669   2.061
   53    HG   LEU   7           HG       LEU   7  -1.122   3.548   2.620
   54   HD11  LEU   7          HD11      LEU   7  -2.379   1.576   3.307
   55   HD12  LEU   7          HD12      LEU   7  -1.052   0.538   2.786
   56   HD13  LEU   7          HD13      LEU   7  -1.950   1.485   1.599
   57   HD21  LEU   7          HD21      LEU   7   0.619   3.461   4.351
   58   HD22  LEU   7          HD22      LEU   7   0.443   1.708   4.427
   59   HD23  LEU   7          HD23      LEU   7  -0.894   2.750   4.906
   60    H    LYS   8           HN       LYS   8   1.580   3.805  -0.810
   61    HA   LYS   8           HA       LYS   8   4.060   2.555  -1.282
   62    HB2  LYS   8           HB2      LYS   8   2.205   2.908  -2.948
   63    HB3  LYS   8           HB1      LYS   8   2.669   4.599  -3.023
   64    HG2  LYS   8           HG2      LYS   8   4.895   3.923  -3.835
   65    HG3  LYS   8           HG1      LYS   8   4.358   2.242  -3.828
   66    HD2  LYS   8           HD2      LYS   8   4.142   3.089  -6.065
   67    HD3  LYS   8           HD1      LYS   8   2.525   2.890  -5.389
   68    HE2  LYS   8           HE2      LYS   8   2.450   5.283  -4.874
   69    HE3  LYS   8           HE1      LYS   8   4.063   5.480  -5.555
   70    HZ1  LYS   8           HZ1      LYS   8   3.190   4.756  -7.698
   71    HZ2  LYS   8           HZ2      LYS   8   2.377   6.126  -7.138
   72    HZ3  LYS   8           HZ3      LYS   8   1.641   4.608  -7.034
   73    H    LYS   9           HN       LYS   9   3.114   5.869  -0.694
   74    HA   LYS   9           HA       LYS   9   5.601   7.101  -1.220
   75    HB2  LYS   9           HB2      LYS   9   3.367   8.238  -1.022
   76    HB3  LYS   9           HB1      LYS   9   3.457   7.992   0.713
   77    HG2  LYS   9           HG2      LYS   9   4.099  10.233   0.203
   78    HG3  LYS   9           HG1      LYS   9   5.522   9.349   0.756
   79    HD2  LYS   9           HD2      LYS   9   6.330   9.117  -1.483
   80    HD3  LYS   9           HD1      LYS   9   4.827   9.758  -2.147
   81    HE2  LYS   9           HE2      LYS   9   6.759  11.289  -0.410
   82    HE3  LYS   9           HE1      LYS   9   6.658  11.409  -2.165
   83    HZ1  LYS   9           HZ1      LYS   9   4.389  12.212  -1.940
   84    HZ2  LYS   9           HZ2      LYS   9   5.459  13.204  -1.089
   85    HZ3  LYS   9           HZ3      LYS   9   4.487  12.101  -0.256
   86    H    ARG  10           HN       ARG  10   4.116   5.803   1.709
   87    HA   ARG  10           HA       ARG  10   6.157   6.616   3.491
   88    HB2  ARG  10           HB2      ARG  10   3.923   6.101   4.287
   89    HB3  ARG  10           HB1      ARG  10   4.074   4.441   3.738
   90    HG2  ARG  10           HG2      ARG  10   5.908   4.095   5.344
   91    HG3  ARG  10           HG1      ARG  10   5.681   5.748   5.924
   92    HD2  ARG  10           HD2      ARG  10   3.490   5.239   6.730
   93    HD3  ARG  10           HD1      ARG  10   3.506   3.660   5.948
   94    HE   ARG  10           HE       ARG  10   5.642   3.581   7.639
   95   HH11  ARG  10          HH11      ARG  10   2.191   3.662   9.688
   96   HH12  ARG  10          HH12      ARG  10   2.241   4.292   8.072
   97   HH21  ARG  10          HH21      ARG  10   5.573   2.758   9.768
   98   HH22  ARG  10          HH22      ARG  10   4.074   2.789  10.649
   99    H    TYR  11           HN       TYR  11   5.446   3.470   1.982
  100    HA   TYR  11           HA       TYR  11   7.748   2.306   3.285
  101    HB2  TYR  11           HB2      TYR  11   5.648   1.153   1.460
  102    HB3  TYR  11           HB1      TYR  11   6.989   0.217   2.110
  103    HD1  TYR  11           HD1      TYR  11   7.144  -0.205   4.551
  104    HD2  TYR  11           HD2      TYR  11   3.773   1.727   2.817
  105    HE1  TYR  11           HE1      TYR  11   5.846  -0.645   6.589
  106    HE2  TYR  11           HE2      TYR  11   2.469   1.296   4.858
  107    HH   TYR  11           HH       TYR  11   2.446  -0.164   6.769
  108    H    ORN  12           HT1      ORN  12  12.589   0.648  -2.527
  109    HA   ORN  12           HA       ORN  12  10.904   1.697  -1.185
  110    HB2  ORN  12           HB1      ORN  12   9.416   2.156  -3.778
  111    HB3  ORN  12           HB2      ORN  12  10.363   3.410  -2.992
  112    HG2  ORN  12           HG1      ORN  12   8.100   1.955  -1.646
  113    HG3  ORN  12           HG2      ORN  12   7.902   3.472  -2.525
  114    HD2  ORN  12           HD1      ORN  12   9.051   4.684  -0.964
  115    HD3  ORN  12           HD2      ORN  12  10.011   3.310  -0.440
  116    HE1  ORN  12           HE       ORN  12   7.444   4.119   0.580
  117    H    CYS  13           HN       CYS  13   9.134   0.424  -0.488
  118    HA   CYS  13           HA       CYS  13   9.027  -2.232  -1.568
  119    HB2  CYS  13           HB2      CYS  13   7.237  -0.947   0.502
  120    HB3  CYS  13           HB1      CYS  13   7.426  -2.671   0.210
  121    H    GLU  14           HN       GLU  14   7.020  -3.266  -2.233
  122    HA   GLU  14           HA       GLU  14   5.289  -1.405  -3.708
  123    HB2  GLU  14           HB2      GLU  14   5.821  -4.344  -4.174
  124    HB3  GLU  14           HB1      GLU  14   4.699  -3.364  -5.110
  125    HG2  GLU  14           HG2      GLU  14   6.664  -1.894  -5.689
  126    HG3  GLU  14           HG1      GLU  14   7.688  -3.143  -4.985
  127    H    VAL  15           HN       VAL  15   3.412  -1.042  -2.768
  128    HA   VAL  15           HA       VAL  15   2.359  -3.044  -0.931
  129    HB   VAL  15           HB       VAL  15   0.855  -1.391  -0.078
  130   HG11  VAL  15          HG11      VAL  15   2.383   0.279   0.775
  131   HG12  VAL  15          HG12      VAL  15   3.534  -0.081  -0.513
  132   HG13  VAL  15          HG13      VAL  15   3.177  -1.294   0.714
  133   HG21  VAL  15          HG21      VAL  15   0.198  -0.312  -2.148
  134   HG22  VAL  15          HG22      VAL  15   1.793   0.430  -2.288
  135   HG23  VAL  15          HG23      VAL  15   0.722   0.886  -0.962
  136    H    ARG  16           HN       ARG  16   0.613  -4.211  -1.307
  137    HA   ARG  16           HA       ARG  16  -0.762  -3.828  -3.875
  138    HB2  ARG  16           HB2      ARG  16   0.226  -5.980  -3.825
  139    HB3  ARG  16           HB1      ARG  16  -0.284  -6.261  -2.167
  140    HG2  ARG  16           HG2      ARG  16  -2.621  -6.316  -2.921
  141    HG3  ARG  16           HG1      ARG  16  -2.065  -6.119  -4.583
  142    HD2  ARG  16           HD2      ARG  16  -1.062  -8.222  -4.623
  143    HD3  ARG  16           HD1      ARG  16  -1.059  -8.356  -2.863
  144    HE   ARG  16           HE       ARG  16  -3.598  -8.405  -3.133
  145   HH11  ARG  16          HH11      ARG  16  -1.373  -9.710  -5.512
  146   HH12  ARG  16          HH12      ARG  16  -2.501 -10.892  -6.092
  147   HH21  ARG  16          HH21      ARG  16  -4.611 -11.024  -5.170
  148   HH22  ARG  16          HH22      ARG  16  -5.068  -9.934  -3.900
  149    H    CYS  17           HN       CYS  17  -2.864  -3.342  -3.891
  150    HA   CYS  17           HA       CYS  17  -4.130  -3.011  -1.278
  151    HB2  CYS  17           HB2      CYS  17  -4.914  -1.814  -3.936
  152    HB3  CYS  17           HB1      CYS  17  -5.534  -1.356  -2.353
  153    H    ASP  18           HN       ASP  18  -5.497  -4.512  -0.683
  154    HA   ASP  18           HA       ASP  18  -7.373  -5.585  -2.682
  155    HB2  ASP  18           HB2      ASP  18  -6.165  -6.978  -0.285
  156    HB3  ASP  18           HB1      ASP  18  -7.574  -7.588  -1.139
  157    HA   DPR  19           HA       DPR  19 -10.725  -4.114  -0.152
  158    HB2  DPR  19           HB1      DPR  19 -10.173  -1.454  -1.312
  159    HB3  DPR  19           HB2      DPR  19 -11.662  -2.402  -1.323
  160    HG2  DPR  19           HG1      DPR  19 -10.178  -2.142  -3.527
  161    HG3  DPR  19           HG2      DPR  19 -11.001  -3.664  -3.146
  162    HD2  DPR  19           HD1      DPR  19  -8.115  -2.937  -2.835
  163    HD3  DPR  19           HD2      DPR  19  -8.846  -4.467  -3.362
  164    HA   PRO  20           HA       PRO  20  -9.168  -1.392   3.054
  165    HB2  PRO  20           HB2      PRO  20  -9.903  -2.882   5.148
  166    HB3  PRO  20           HB1      PRO  20 -11.098  -2.031   4.163
  167    HG2  PRO  20           HG2      PRO  20 -10.295  -4.913   4.094
  168    HG3  PRO  20           HG1      PRO  20 -11.918  -4.204   4.017
  169    HD2  PRO  20           HD2      PRO  20 -10.513  -5.046   1.816
  170    HD3  PRO  20           HD1      PRO  20 -11.759  -3.783   1.776
  171    H    ARG  21           HN       ARG  21  -7.887  -4.281   1.994
  172    HA   ARG  21           HA       ARG  21  -5.892  -4.382   4.157
  173    HB2  ARG  21           HB2      ARG  21  -6.687  -6.449   2.107
  174    HB3  ARG  21           HB1      ARG  21  -5.318  -6.629   3.196
  175    HG2  ARG  21           HG2      ARG  21  -6.799  -6.546   5.113
  176    HG3  ARG  21           HG1      ARG  21  -8.186  -6.296   4.048
  177    HD2  ARG  21           HD2      ARG  21  -7.816  -8.461   3.022
  178    HD3  ARG  21           HD1      ARG  21  -6.375  -8.705   4.005
  179    HE   ARG  21           HE       ARG  21  -8.386  -8.294   5.813
  180   HH11  ARG  21          HH11      ARG  21  -7.864 -10.501   3.155
  181   HH12  ARG  21          HH12      ARG  21  -8.731 -11.809   3.895
  182   HH21  ARG  21          HH21      ARG  21  -9.541 -10.019   6.801
  183   HH22  ARG  21          HH22      ARG  21  -9.671 -11.538   5.974
  184    H    TYR  22           HN       TYR  22  -3.713  -4.341   3.687
  185    HA   TYR  22           HA       TYR  22  -2.934  -3.768   0.921
  186    HB2  TYR  22           HB2      TYR  22  -2.117  -2.078   3.297
  187    HB3  TYR  22           HB1      TYR  22  -1.569  -1.865   1.637
  188    HD1  TYR  22           HD1      TYR  22  -3.032  -0.901  -0.041
  189    HD2  TYR  22           HD2      TYR  22  -4.350  -1.421   3.967
  190    HE1  TYR  22           HE1      TYR  22  -4.917   0.608  -0.477
  191    HE2  TYR  22           HE2      TYR  22  -6.240   0.089   3.547
  192    HH   TYR  22           HH       TYR  22  -6.816   1.929   1.993
  193    H    GLU  23           HN       GLU  23  -1.492  -5.256   0.443
  194    HA   GLU  23           HA       GLU  23   0.144  -6.447   2.540
  195    HB2  GLU  23           HB2      GLU  23  -0.216  -7.191  -0.366
  196    HB3  GLU  23           HB1      GLU  23   0.793  -8.070   0.770
  197    HG2  GLU  23           HG2      GLU  23  -2.189  -7.705   0.975
  198    HG3  GLU  23           HG1      GLU  23  -1.355  -9.164   0.446
  199    H    VAL  24           HN       VAL  24   2.020  -5.534   2.980
  200    HA   VAL  24           HA       VAL  24   3.302  -3.819   1.018
  201    HB   VAL  24           HB       VAL  24   4.058  -4.354   3.896
  202   HG11  VAL  24          HG11      VAL  24   5.018  -2.240   1.971
  203   HG12  VAL  24          HG12      VAL  24   5.959  -3.597   2.588
  204   HG13  VAL  24          HG13      VAL  24   5.424  -2.323   3.684
  205   HG21  VAL  24          HG21      VAL  24   2.532  -2.062   2.666
  206   HG22  VAL  24          HG22      VAL  24   3.075  -2.141   4.341
  207   HG23  VAL  24          HG23      VAL  24   1.878  -3.293   3.746
  208    H    HIS  25           HN       HIS  25   4.485  -4.870  -0.430
  209    HA   HIS  25           HA       HIS  25   6.114  -7.151   0.416
  210    HB2  HIS  25           HB2      HIS  25   5.070  -6.207  -2.228
  211    HB3  HIS  25           HB1      HIS  25   6.469  -7.267  -2.172
  212    HD1  HIS  25           HD1      HIS  25   5.901  -9.667  -2.321
  213    HD2  HIS  25           HD2      HIS  25   2.809  -7.453  -0.642
  214    HE1  HIS  25           HE1      HIS  25   4.033 -11.302  -1.931
  215    HE2  HIS  25           HE2      HIS  25   2.258  -9.979  -0.737
  216    H    CYS  26           HN       CYS  26   7.943  -6.407   1.278
  217    HA   CYS  26           HA       CYS  26   9.448  -4.327  -0.130
  218    HB2  CYS  26           HB2      CYS  26   9.795  -5.531   2.623
  219    HB3  CYS  26           HB1      CYS  26  10.865  -4.318   1.931
  220    HN1  NH2  27           HN1      NH2  27   9.987  -5.803  -1.844
  221    HN2  NH2  27           HN2      NH2  27  11.255  -6.960  -1.633
  Start of MODEL    8
    1    H1   ASN   1           HT1      ASN   1  -8.239   4.488  -4.394
    2    H2   ASN   1           HT2      ASN   1  -8.178   5.813  -5.436
    3    H3   ASN   1           HT3      ASN   1  -9.623   5.423  -4.657
    4    HA   ASN   1           HA       ASN   1  -8.595   7.318  -3.621
    5    HB2  ASN   1           HB2      ASN   1  -9.891   5.623  -2.282
    6    HB3  ASN   1           HB1      ASN   1  -8.361   4.863  -1.866
    7   HD21  ASN   1          HD21      ASN   1 -10.407   7.631  -1.403
    8   HD22  ASN   1          HD22      ASN   1  -9.560   8.280  -0.040
    9    H    ASP   2           HN       ASP   2  -6.803   8.097  -2.266
   10    HA   ASP   2           HA       ASP   2  -4.322   7.271  -3.532
   11    HB2  ASP   2           HB2      ASP   2  -5.060   9.687  -1.896
   12    HB3  ASP   2           HB1      ASP   2  -3.418   9.365  -2.432
   13    H    LYS   3           HN       LYS   3  -5.789   6.126  -0.933
   14    HA   LYS   3           HA       LYS   3  -3.928   6.283   1.150
   15    HB2  LYS   3           HB2      LYS   3  -6.194   5.399   1.453
   16    HB3  LYS   3           HB1      LYS   3  -5.808   4.025   0.430
   17    HG2  LYS   3           HG2      LYS   3  -5.740   3.340   2.719
   18    HG3  LYS   3           HG1      LYS   3  -4.099   3.330   2.071
   19    HD2  LYS   3           HD2      LYS   3  -3.690   5.512   3.118
   20    HD3  LYS   3           HD1      LYS   3  -5.327   5.493   3.779
   21    HE2  LYS   3           HE2      LYS   3  -4.777   3.432   5.009
   22    HE3  LYS   3           HE1      LYS   3  -3.130   3.519   4.387
   23    HZ1  LYS   3           HZ1      LYS   3  -2.903   5.680   5.498
   24    HZ2  LYS   3           HZ2      LYS   3  -3.219   4.428   6.589
   25    HZ3  LYS   3           HZ3      LYS   3  -4.452   5.501   6.155
   26    H    CYS   4           HN       CYS   4  -4.246   4.001  -1.528
   27    HA   CYS   4           HA       CYS   4  -2.101   2.325  -0.916
   28    HB2  CYS   4           HB2      CYS   4  -3.239   3.127  -3.593
   29    HB3  CYS   4           HB1      CYS   4  -2.073   1.830  -3.371
   30    H    LYS   5           HN       LYS   5  -2.228   5.361  -2.676
   31    HA   LYS   5           HA       LYS   5   0.430   5.351  -3.608
   32    HB2  LYS   5           HB2      LYS   5  -1.288   6.772  -4.595
   33    HB3  LYS   5           HB1      LYS   5  -1.465   7.647  -3.082
   34    HG2  LYS   5           HG2      LYS   5   0.854   8.442  -3.300
   35    HG3  LYS   5           HG1      LYS   5   0.967   7.614  -4.854
   36    HD2  LYS   5           HD2      LYS   5  -0.857   8.981  -5.723
   37    HD3  LYS   5           HD1      LYS   5  -0.995   9.799  -4.166
   38    HE2  LYS   5           HE2      LYS   5   0.262  11.162  -5.742
   39    HE3  LYS   5           HE1      LYS   5   1.291  10.640  -4.411
   40    HZ1  LYS   5           HZ1      LYS   5   2.358  10.453  -6.605
   41    HZ2  LYS   5           HZ2      LYS   5   1.188   9.323  -7.068
   42    HZ3  LYS   5           HZ3      LYS   5   2.254   8.965  -5.807
   43    H    GLU   6           HN       GLU   6  -1.087   6.787  -0.739
   44    HA   GLU   6           HA       GLU   6   1.241   8.070   0.208
   45    HB2  GLU   6           HB2      GLU   6  -1.271   7.174   1.613
   46    HB3  GLU   6           HB1      GLU   6   0.008   8.070   2.421
   47    HG2  GLU   6           HG2      GLU   6  -1.519   9.030   0.010
   48    HG3  GLU   6           HG1      GLU   6  -1.843   9.501   1.675
   49    H    LEU   7           HN       LEU   7  -0.149   4.884   0.852
   50    HA   LEU   7           HA       LEU   7   1.774   4.050   2.742
   51    HB2  LEU   7           HB2      LEU   7   0.056   2.507   0.809
   52    HB3  LEU   7           HB1      LEU   7   1.089   1.733   1.993
   53    HG   LEU   7           HG       LEU   7  -1.092   3.672   2.756
   54   HD11  LEU   7          HD11      LEU   7  -2.444   1.702   3.309
   55   HD12  LEU   7          HD12      LEU   7  -1.211   0.662   2.598
   56   HD13  LEU   7          HD13      LEU   7  -2.104   1.794   1.582
   57   HD21  LEU   7          HD21      LEU   7   0.683   3.300   4.414
   58   HD22  LEU   7          HD22      LEU   7   0.392   1.564   4.322
   59   HD23  LEU   7          HD23      LEU   7  -0.862   2.634   4.947
   60    H    LYS   8           HN       LYS   8   1.619   3.774  -0.771
   61    HA   LYS   8           HA       LYS   8   3.970   2.312  -1.176
   62    HB2  LYS   8           HB2      LYS   8   2.364   2.591  -2.943
   63    HB3  LYS   8           HB1      LYS   8   2.545   4.337  -2.901
   64    HG2  LYS   8           HG2      LYS   8   4.841   4.110  -3.712
   65    HG3  LYS   8           HG1      LYS   8   4.634   2.358  -3.773
   66    HD2  LYS   8           HD2      LYS   8   2.888   2.576  -5.422
   67    HD3  LYS   8           HD1      LYS   8   2.936   4.334  -5.290
   68    HE2  LYS   8           HE2      LYS   8   5.204   2.591  -6.244
   69    HE3  LYS   8           HE1      LYS   8   4.110   3.500  -7.286
   70    HZ1  LYS   8           HZ1      LYS   8   4.900   5.542  -6.311
   71    HZ2  LYS   8           HZ2      LYS   8   6.213   4.658  -6.902
   72    HZ3  LYS   8           HZ3      LYS   8   5.903   4.697  -5.243
   73    H    LYS   9           HN       LYS   9   3.400   5.769  -0.848
   74    HA   LYS   9           HA       LYS   9   6.066   6.565  -1.405
   75    HB2  LYS   9           HB2      LYS   9   3.798   7.941   0.031
   76    HB3  LYS   9           HB1      LYS   9   5.341   8.716  -0.303
   77    HG2  LYS   9           HG2      LYS   9   4.983   8.676  -2.624
   78    HG3  LYS   9           HG1      LYS   9   3.667   7.509  -2.484
   79    HD2  LYS   9           HD2      LYS   9   2.835   9.758  -2.955
   80    HD3  LYS   9           HD1      LYS   9   2.284   9.178  -1.384
   81    HE2  LYS   9           HE2      LYS   9   4.107  10.468  -0.317
   82    HE3  LYS   9           HE1      LYS   9   4.543  11.108  -1.902
   83    HZ1  LYS   9           HZ1      LYS   9   3.102  12.595  -0.583
   84    HZ2  LYS   9           HZ2      LYS   9   1.869  11.431  -0.653
   85    HZ3  LYS   9           HZ3      LYS   9   2.430  12.163  -2.075
   86    H    ARG  10           HN       ARG  10   4.331   5.777   1.559
   87    HA   ARG  10           HA       ARG  10   6.326   6.560   3.382
   88    HB2  ARG  10           HB2      ARG  10   4.074   6.086   4.143
   89    HB3  ARG  10           HB1      ARG  10   4.202   4.420   3.601
   90    HG2  ARG  10           HG2      ARG  10   6.038   4.081   5.240
   91    HG3  ARG  10           HG1      ARG  10   5.729   5.711   5.848
   92    HD2  ARG  10           HD2      ARG  10   3.539   5.108   6.565
   93    HD3  ARG  10           HD1      ARG  10   3.626   3.559   5.731
   94    HE   ARG  10           HE       ARG  10   5.698   3.806   7.668
   95   HH11  ARG  10          HH11      ARG  10   2.190   2.206   8.795
   96   HH12  ARG  10          HH12      ARG  10   2.264   3.176   7.357
   97   HH21  ARG  10          HH21      ARG  10   5.590   2.533   9.563
   98   HH22  ARG  10          HH22      ARG  10   4.071   1.842  10.040
   99    H    TYR  11           HN       TYR  11   5.622   3.411   1.909
  100    HA   TYR  11           HA       TYR  11   7.860   2.203   3.260
  101    HB2  TYR  11           HB2      TYR  11   5.826   1.142   1.310
  102    HB3  TYR  11           HB1      TYR  11   7.152   0.170   1.934
  103    HD1  TYR  11           HD1      TYR  11   7.216  -0.526   4.240
  104    HD2  TYR  11           HD2      TYR  11   3.974   1.800   2.767
  105    HE1  TYR  11           HE1      TYR  11   5.925  -1.059   6.259
  106    HE2  TYR  11           HE2      TYR  11   2.676   1.275   4.786
  107    HH   TYR  11           HH       TYR  11   2.568  -0.327   6.551
  108    H    ORN  12           HT1      ORN  12  11.738   1.370  -4.258
  109    HA   ORN  12           HA       ORN  12  11.119   1.831  -1.404
  110    HB2  ORN  12           HB1      ORN  12   9.581   2.660  -3.875
  111    HB3  ORN  12           HB2      ORN  12  10.600   3.741  -2.935
  112    HG2  ORN  12           HG1      ORN  12   8.240   2.262  -1.805
  113    HG3  ORN  12           HG2      ORN  12   8.168   3.909  -2.434
  114    HD2  ORN  12           HD1      ORN  12   9.429   4.763  -0.720
  115    HD3  ORN  12           HD2      ORN  12  10.227   3.231  -0.392
  116    HE1  ORN  12           HE       ORN  12   7.629   4.089   0.590
  117    H    CYS  13           HN       CYS  13   9.549   0.511  -0.542
  118    HA   CYS  13           HA       CYS  13   9.014  -1.948  -1.918
  119    HB2  CYS  13           HB2      CYS  13   7.688  -0.999   0.613
  120    HB3  CYS  13           HB1      CYS  13   7.960  -2.653   0.095
  121    H    GLU  14           HN       GLU  14   6.921  -2.732  -2.496
  122    HA   GLU  14           HA       GLU  14   5.102  -0.543  -3.243
  123    HB2  GLU  14           HB2      GLU  14   6.176  -1.669  -5.141
  124    HB3  GLU  14           HB1      GLU  14   5.569  -3.216  -4.573
  125    HG2  GLU  14           HG2      GLU  14   3.309  -2.555  -5.007
  126    HG3  GLU  14           HG1      GLU  14   3.820  -0.918  -5.417
  127    H    VAL  15           HN       VAL  15   3.162  -0.556  -2.298
  128    HA   VAL  15           HA       VAL  15   2.390  -2.920  -0.798
  129    HB   VAL  15           HB       VAL  15   0.693  -1.594   0.257
  130   HG11  VAL  15          HG11      VAL  15   2.040   0.094   1.349
  131   HG12  VAL  15          HG12      VAL  15   3.221   0.037   0.040
  132   HG13  VAL  15          HG13      VAL  15   2.993  -1.365   1.084
  133   HG21  VAL  15          HG21      VAL  15  -0.083  -0.319  -1.652
  134   HG22  VAL  15          HG22      VAL  15   1.420   0.603  -1.674
  135   HG23  VAL  15          HG23      VAL  15   0.312   0.756  -0.311
  136    H    ARG  16           HN       ARG  16   0.594  -4.101  -1.145
  137    HA   ARG  16           HA       ARG  16  -0.749  -3.719  -3.724
  138    HB2  ARG  16           HB2      ARG  16  -0.544  -6.166  -1.962
  139    HB3  ARG  16           HB1      ARG  16  -1.433  -6.090  -3.473
  140    HG2  ARG  16           HG2      ARG  16   1.532  -5.639  -3.216
  141    HG3  ARG  16           HG1      ARG  16   0.785  -7.172  -3.658
  142    HD2  ARG  16           HD2      ARG  16   1.452  -6.128  -5.681
  143    HD3  ARG  16           HD1      ARG  16  -0.298  -5.976  -5.584
  144    HE   ARG  16           HE       ARG  16   0.957  -3.676  -4.501
  145   HH11  ARG  16          HH11      ARG  16   0.247  -5.241  -7.543
  146   HH12  ARG  16          HH12      ARG  16   0.229  -3.763  -8.447
  147   HH21  ARG  16          HH21      ARG  16   0.632  -1.760  -7.394
  148   HH22  ARG  16          HH22      ARG  16   0.930  -1.722  -5.685
  149    H    CYS  17           HN       CYS  17  -2.988  -3.687  -3.824
  150    HA   CYS  17           HA       CYS  17  -4.222  -3.033  -1.236
  151    HB2  CYS  17           HB2      CYS  17  -4.965  -1.926  -3.942
  152    HB3  CYS  17           HB1      CYS  17  -5.544  -1.374  -2.374
  153    H    ASP  18           HN       ASP  18  -5.537  -4.590  -0.637
  154    HA   ASP  18           HA       ASP  18  -7.266  -5.821  -2.679
  155    HB2  ASP  18           HB2      ASP  18  -5.506  -7.331  -1.567
  156    HB3  ASP  18           HB1      ASP  18  -6.463  -7.162  -0.100
  157    HA   DPR  19           HA       DPR  19 -10.824  -4.533  -0.321
  158    HB2  DPR  19           HB1      DPR  19 -10.409  -1.875  -1.538
  159    HB3  DPR  19           HB2      DPR  19 -11.827  -2.926  -1.580
  160    HG2  DPR  19           HG1      DPR  19 -10.263  -2.606  -3.728
  161    HG3  DPR  19           HG2      DPR  19 -11.018  -4.165  -3.352
  162    HD2  DPR  19           HD1      DPR  19  -8.192  -3.282  -2.958
  163    HD3  DPR  19           HD2      DPR  19  -8.827  -4.865  -3.452
  164    HA   PRO  20           HA       PRO  20  -9.549  -1.627   2.850
  165    HB2  PRO  20           HB2      PRO  20 -10.214  -3.128   4.961
  166    HB3  PRO  20           HB1      PRO  20 -11.441  -2.361   3.948
  167    HG2  PRO  20           HG2      PRO  20 -10.485  -5.195   3.949
  168    HG3  PRO  20           HG1      PRO  20 -12.139  -4.573   3.814
  169    HD2  PRO  20           HD2      PRO  20 -10.629  -5.386   1.673
  170    HD3  PRO  20           HD1      PRO  20 -11.943  -4.200   1.569
  171    H    ARG  21           HN       ARG  21  -8.068  -4.492   1.935
  172    HA   ARG  21           HA       ARG  21  -6.175  -4.422   4.181
  173    HB2  ARG  21           HB2      ARG  21  -6.596  -6.566   2.096
  174    HB3  ARG  21           HB1      ARG  21  -5.458  -6.650   3.431
  175    HG2  ARG  21           HG2      ARG  21  -7.313  -6.571   5.018
  176    HG3  ARG  21           HG1      ARG  21  -8.453  -6.504   3.672
  177    HD2  ARG  21           HD2      ARG  21  -7.554  -8.677   2.874
  178    HD3  ARG  21           HD1      ARG  21  -6.549  -8.748   4.322
  179    HE   ARG  21           HE       ARG  21  -9.301  -8.373   4.962
  180   HH11  ARG  21          HH11      ARG  21  -6.945 -10.790   4.034
  181   HH12  ARG  21          HH12      ARG  21  -7.830 -12.103   4.736
  182   HH21  ARG  21          HH21      ARG  21 -10.470 -10.108   5.884
  183   HH22  ARG  21          HH22      ARG  21  -9.829 -11.718   5.787
  184    H    TYR  22           HN       TYR  22  -3.989  -4.236   3.847
  185    HA   TYR  22           HA       TYR  22  -3.083  -3.748   1.100
  186    HB2  TYR  22           HB2      TYR  22  -2.327  -2.060   3.498
  187    HB3  TYR  22           HB1      TYR  22  -1.687  -1.885   1.868
  188    HD1  TYR  22           HD1      TYR  22  -3.032  -0.911   0.097
  189    HD2  TYR  22           HD2      TYR  22  -4.581  -1.330   4.035
  190    HE1  TYR  22           HE1      TYR  22  -4.868   0.617  -0.469
  191    HE2  TYR  22           HE2      TYR  22  -6.420   0.197   3.480
  192    HH   TYR  22           HH       TYR  22  -7.178   1.091   0.314
  193    H    GLU  23           HN       GLU  23  -1.317  -4.836   0.588
  194    HA   GLU  23           HA       GLU  23   0.120  -6.219   2.761
  195    HB2  GLU  23           HB2      GLU  23  -0.213  -7.086  -0.118
  196    HB3  GLU  23           HB1      GLU  23   0.593  -7.994   1.151
  197    HG2  GLU  23           HG2      GLU  23  -1.475  -8.294   2.328
  198    HG3  GLU  23           HG1      GLU  23  -2.320  -7.252   1.186
  199    H    VAL  24           HN       VAL  24   2.191  -5.652   3.033
  200    HA   VAL  24           HA       VAL  24   3.390  -3.820   1.160
  201    HB   VAL  24           HB       VAL  24   4.530  -4.998   3.698
  202   HG11  VAL  24          HG11      VAL  24   6.179  -3.212   3.581
  203   HG12  VAL  24          HG12      VAL  24   5.478  -2.644   2.064
  204   HG13  VAL  24          HG13      VAL  24   6.264  -4.223   2.136
  205   HG21  VAL  24          HG21      VAL  24   2.545  -3.658   4.124
  206   HG22  VAL  24          HG22      VAL  24   3.215  -2.336   3.169
  207   HG23  VAL  24          HG23      VAL  24   3.989  -2.809   4.681
  208    H    HIS  25           HN       HIS  25   4.339  -4.514  -0.595
  209    HA   HIS  25           HA       HIS  25   5.761  -7.091  -0.555
  210    HB2  HIS  25           HB2      HIS  25   3.774  -6.844  -2.103
  211    HB3  HIS  25           HB1      HIS  25   4.681  -5.610  -2.962
  212    HD1  HIS  25           HD1      HIS  25   3.862  -9.020  -3.222
  213    HD2  HIS  25           HD2      HIS  25   7.357  -6.852  -3.819
  214    HE1  HIS  25           HE1      HIS  25   5.304 -10.450  -4.701
  215    HE2  HIS  25           HE2      HIS  25   7.360  -9.068  -5.146
  216    H    CYS  26           HN       CYS  26   7.783  -6.412   0.050
  217    HA   CYS  26           HA       CYS  26   8.979  -4.217  -1.482
  218    HB2  CYS  26           HB2      CYS  26   8.942  -4.336   1.121
  219    HB3  CYS  26           HB1      CYS  26  10.243  -5.504   0.917
  220    HN1  NH2  27           HN1      NH2  27   9.183  -5.643  -3.325
  221    HN2  NH2  27           HN2      NH2  27  10.491  -6.771  -3.396
  Start of MODEL    9
    1    H1   ASN   1           HT1      ASN   1  -6.203   6.343  -6.650
    2    H2   ASN   1           HT2      ASN   1  -7.301   5.068  -6.493
    3    H3   ASN   1           HT3      ASN   1  -5.666   4.822  -6.151
    4    HA   ASN   1           HA       ASN   1  -7.458   6.631  -4.653
    5    HB2  ASN   1           HB2      ASN   1  -6.426   3.868  -3.992
    6    HB3  ASN   1           HB1      ASN   1  -7.171   4.941  -2.813
    7   HD21  ASN   1          HD21      ASN   1  -9.376   5.348  -2.928
    8   HD22  ASN   1          HD22      ASN   1 -10.440   4.370  -3.880
    9    H    ASP   2           HN       ASP   2  -6.394   8.134  -3.567
   10    HA   ASP   2           HA       ASP   2  -3.567   8.331  -3.745
   11    HB2  ASP   2           HB2      ASP   2  -3.765  10.404  -2.607
   12    HB3  ASP   2           HB1      ASP   2  -5.195  10.269  -3.618
   13    H    LYS   3           HN       LYS   3  -5.674   6.891  -1.438
   14    HA   LYS   3           HA       LYS   3  -4.006   6.954   0.827
   15    HB2  LYS   3           HB2      LYS   3  -6.445   6.303   0.743
   16    HB3  LYS   3           HB1      LYS   3  -5.936   4.752   0.094
   17    HG2  LYS   3           HG2      LYS   3  -4.714   4.261   2.106
   18    HG3  LYS   3           HG1      LYS   3  -5.081   5.861   2.753
   19    HD2  LYS   3           HD2      LYS   3  -7.484   5.299   2.675
   20    HD3  LYS   3           HD1      LYS   3  -7.065   3.679   2.122
   21    HE2  LYS   3           HE2      LYS   3  -6.224   4.915   4.742
   22    HE3  LYS   3           HE1      LYS   3  -7.525   3.745   4.531
   23    HZ1  LYS   3           HZ1      LYS   3  -4.635   3.308   4.055
   24    HZ2  LYS   3           HZ2      LYS   3  -5.841   2.201   3.618
   25    HZ3  LYS   3           HZ3      LYS   3  -5.599   2.591   5.248
   26    H    CYS   4           HN       CYS   4  -4.292   4.667  -1.845
   27    HA   CYS   4           HA       CYS   4  -2.328   2.844  -0.931
   28    HB2  CYS   4           HB2      CYS   4  -3.399   3.432  -3.695
   29    HB3  CYS   4           HB1      CYS   4  -2.265   2.128  -3.351
   30    H    LYS   5           HN       LYS   5  -2.233   5.801  -2.772
   31    HA   LYS   5           HA       LYS   5   0.464   5.627  -3.622
   32    HB2  LYS   5           HB2      LYS   5  -1.204   7.108  -4.671
   33    HB3  LYS   5           HB1      LYS   5  -1.296   8.052  -3.192
   34    HG2  LYS   5           HG2      LYS   5   1.079   8.648  -3.465
   35    HG3  LYS   5           HG1      LYS   5   1.100   7.768  -4.994
   36    HD2  LYS   5           HD2      LYS   5  -0.693  10.109  -4.354
   37    HD3  LYS   5           HD1      LYS   5   0.791  10.194  -5.303
   38    HE2  LYS   5           HE2      LYS   5  -1.681   8.608  -5.994
   39    HE3  LYS   5           HE1      LYS   5  -1.168  10.114  -6.750
   40    HZ1  LYS   5           HZ1      LYS   5   0.358   7.569  -6.808
   41    HZ2  LYS   5           HZ2      LYS   5   0.802   9.009  -7.571
   42    HZ3  LYS   5           HZ3      LYS   5  -0.575   8.175  -8.077
   43    H    GLU   6           HN       GLU   6  -1.157   7.030  -0.832
   44    HA   GLU   6           HA       GLU   6   1.041   8.257   0.390
   45    HB2  GLU   6           HB2      GLU   6  -1.518   7.092   1.465
   46    HB3  GLU   6           HB1      GLU   6  -0.323   7.819   2.529
   47    HG2  GLU   6           HG2      GLU   6  -1.539   9.265   0.196
   48    HG3  GLU   6           HG1      GLU   6  -2.215   9.303   1.821
   49    H    LEU   7           HN       LEU   7  -0.341   5.021   0.838
   50    HA   LEU   7           HA       LEU   7   1.612   4.121   2.661
   51    HB2  LEU   7           HB2      LEU   7  -0.179   2.620   0.762
   52    HB3  LEU   7           HB1      LEU   7   0.830   1.837   1.961
   53    HG   LEU   7           HG       LEU   7  -1.299   3.858   2.668
   54   HD11  LEU   7          HD11      LEU   7  -2.339   1.939   1.581
   55   HD12  LEU   7          HD12      LEU   7  -2.688   1.952   3.309
   56   HD13  LEU   7          HD13      LEU   7  -1.475   0.846   2.663
   57   HD21  LEU   7          HD21      LEU   7  -1.070   2.919   4.898
   58   HD22  LEU   7          HD22      LEU   7   0.481   3.530   4.329
   59   HD23  LEU   7          HD23      LEU   7   0.158   1.796   4.320
   60    H    LYS   8           HN       LYS   8   1.428   4.030  -0.850
   61    HA   LYS   8           HA       LYS   8   3.628   2.377  -1.341
   62    HB2  LYS   8           HB2      LYS   8   1.919   3.157  -3.015
   63    HB3  LYS   8           HB1      LYS   8   2.748   4.707  -3.044
   64    HG2  LYS   8           HG2      LYS   8   4.818   3.484  -3.737
   65    HG3  LYS   8           HG1      LYS   8   3.822   2.039  -3.906
   66    HD2  LYS   8           HD2      LYS   8   2.402   3.239  -5.523
   67    HD3  LYS   8           HD1      LYS   8   3.467   4.639  -5.390
   68    HE2  LYS   8           HE2      LYS   8   4.190   1.899  -6.410
   69    HE3  LYS   8           HE1      LYS   8   4.047   3.375  -7.359
   70    HZ1  LYS   8           HZ1      LYS   8   6.054   2.861  -5.231
   71    HZ2  LYS   8           HZ2      LYS   8   5.917   4.295  -6.116
   72    HZ3  LYS   8           HZ3      LYS   8   6.349   2.859  -6.895
   73    H    LYS   9           HN       LYS   9   3.434   5.906  -1.002
   74    HA   LYS   9           HA       LYS   9   6.223   6.319  -1.402
   75    HB2  LYS   9           HB2      LYS   9   4.462   8.060  -1.738
   76    HB3  LYS   9           HB1      LYS   9   4.256   8.128   0.005
   77    HG2  LYS   9           HG2      LYS   9   5.647   9.950  -0.694
   78    HG3  LYS   9           HG1      LYS   9   6.624   8.801   0.221
   79    HD2  LYS   9           HD2      LYS   9   7.420   7.837  -1.912
   80    HD3  LYS   9           HD1      LYS   9   6.498   9.063  -2.782
   81    HE2  LYS   9           HE2      LYS   9   8.780   9.775  -2.658
   82    HE3  LYS   9           HE1      LYS   9   7.814  10.806  -1.608
   83    HZ1  LYS   9           HZ1      LYS   9   9.941  10.080  -0.618
   84    HZ2  LYS   9           HZ2      LYS   9   9.393   8.483  -0.656
   85    HZ3  LYS   9           HZ3      LYS   9   8.595   9.623   0.299
   86    H    ARG  10           HN       ARG  10   4.176   5.817   1.388
   87    HA   ARG  10           HA       ARG  10   5.963   6.529   3.416
   88    HB2  ARG  10           HB2      ARG  10   3.588   6.203   3.807
   89    HB3  ARG  10           HB1      ARG  10   3.725   4.502   3.400
   90    HG2  ARG  10           HG2      ARG  10   5.074   4.095   5.358
   91    HG3  ARG  10           HG1      ARG  10   5.066   5.818   5.749
   92    HD2  ARG  10           HD2      ARG  10   2.730   5.794   6.187
   93    HD3  ARG  10           HD1      ARG  10   2.551   4.174   5.518
   94    HE   ARG  10           HE       ARG  10   4.320   3.910   7.605
   95   HH11  ARG  10          HH11      ARG  10   0.549   4.591   8.827
   96   HH12  ARG  10          HH12      ARG  10   1.047   5.109   7.246
   97   HH21  ARG  10          HH21      ARG  10   3.673   3.237   9.685
   98   HH22  ARG  10          HH22      ARG  10   2.047   3.528  10.217
   99    H    TYR  11           HN       TYR  11   5.444   3.447   1.769
  100    HA   TYR  11           HA       TYR  11   7.584   2.244   3.355
  101    HB2  TYR  11           HB2      TYR  11   5.533   1.043   1.503
  102    HB3  TYR  11           HB1      TYR  11   6.819   0.117   2.267
  103    HD1  TYR  11           HD1      TYR  11   6.840  -0.186   4.730
  104    HD2  TYR  11           HD2      TYR  11   3.618   1.740   2.731
  105    HE1  TYR  11           HE1      TYR  11   5.429  -0.486   6.716
  106    HE2  TYR  11           HE2      TYR  11   2.199   1.448   4.716
  107    HH   TYR  11           HH       TYR  11   3.440   0.537   7.741
  108    H    ORN  12           HT1      ORN  12  11.476   0.935  -4.216
  109    HA   ORN  12           HA       ORN  12  10.941   1.570  -1.378
  110    HB2  ORN  12           HB1      ORN  12   9.190   2.066  -3.798
  111    HB3  ORN  12           HB2      ORN  12  10.174   3.305  -3.032
  112    HG2  ORN  12           HG1      ORN  12   8.034   1.756  -1.596
  113    HG3  ORN  12           HG2      ORN  12   7.769   3.313  -2.377
  114    HD2  ORN  12           HD1      ORN  12   9.131   4.443  -0.875
  115    HD3  ORN  12           HD2      ORN  12   9.957   2.975  -0.368
  116    HE1  ORN  12           HE       ORN  12   7.444   3.987   0.629
  117    H    CYS  13           HN       CYS  13   9.233   0.308  -0.459
  118    HA   CYS  13           HA       CYS  13   9.178  -2.401  -1.340
  119    HB2  CYS  13           HB2      CYS  13   7.351  -1.034   0.640
  120    HB3  CYS  13           HB1      CYS  13   7.610  -2.765   0.486
  121    H    GLU  14           HN       GLU  14   7.405  -3.595  -2.125
  122    HA   GLU  14           HA       GLU  14   5.658  -2.070  -3.869
  123    HB2  GLU  14           HB2      GLU  14   6.045  -5.040  -3.479
  124    HB3  GLU  14           HB1      GLU  14   4.912  -4.343  -4.628
  125    HG2  GLU  14           HG2      GLU  14   6.761  -3.272  -5.801
  126    HG3  GLU  14           HG1      GLU  14   7.898  -3.965  -4.645
  127    H    VAL  15           HN       VAL  15   3.782  -1.358  -3.186
  128    HA   VAL  15           HA       VAL  15   2.445  -2.803  -1.006
  129    HB   VAL  15           HB       VAL  15   2.093   0.084  -1.827
  130   HG11  VAL  15          HG11      VAL  15   0.768   0.291   0.223
  131   HG12  VAL  15          HG12      VAL  15   0.941  -1.441   0.506
  132   HG13  VAL  15          HG13      VAL  15   0.050  -0.861  -0.900
  133   HG21  VAL  15          HG21      VAL  15   3.186   0.597   0.322
  134   HG22  VAL  15          HG22      VAL  15   4.254  -0.248  -0.800
  135   HG23  VAL  15          HG23      VAL  15   3.514  -1.122   0.540
  136    H    ARG  16           HN       ARG  16   0.754  -3.945  -1.580
  137    HA   ARG  16           HA       ARG  16  -0.798  -3.135  -3.952
  138    HB2  ARG  16           HB2      ARG  16  -0.760  -5.797  -2.528
  139    HB3  ARG  16           HB1      ARG  16  -1.699  -5.417  -3.955
  140    HG2  ARG  16           HG2      ARG  16   0.356  -5.119  -5.234
  141    HG3  ARG  16           HG1      ARG  16   1.304  -5.499  -3.791
  142    HD2  ARG  16           HD2      ARG  16   0.146  -7.691  -3.678
  143    HD3  ARG  16           HD1      ARG  16  -0.647  -7.310  -5.204
  144    HE   ARG  16           HE       ARG  16   1.961  -7.043  -5.820
  145   HH11  ARG  16          HH11      ARG  16   0.152  -9.572  -4.219
  146   HH12  ARG  16          HH12      ARG  16   1.208 -10.844  -4.749
  147   HH21  ARG  16          HH21      ARG  16   3.021 -10.357  -6.070
  148   HH22  ARG  16          HH22      ARG  16   3.357  -8.716  -6.528
  149    H    CYS  17           HN       CYS  17  -3.080  -3.106  -3.801
  150    HA   CYS  17           HA       CYS  17  -4.080  -2.875  -1.045
  151    HB2  CYS  17           HB2      CYS  17  -4.984  -1.353  -3.499
  152    HB3  CYS  17           HB1      CYS  17  -5.661  -1.181  -1.883
  153    H    ASP  18           HN       ASP  18  -5.544  -4.339  -0.528
  154    HA   ASP  18           HA       ASP  18  -7.223  -5.480  -2.660
  155    HB2  ASP  18           HB2      ASP  18  -5.404  -7.032  -1.759
  156    HB3  ASP  18           HB1      ASP  18  -6.286  -7.016  -0.237
  157    HA   DPR  19           HA       DPR  19 -10.774  -4.569  -0.116
  158    HB2  DPR  19           HB1      DPR  19 -10.472  -1.798  -1.093
  159    HB3  DPR  19           HB2      DPR  19 -11.862  -2.881  -1.187
  160    HG2  DPR  19           HG1      DPR  19 -10.380  -2.325  -3.344
  161    HG3  DPR  19           HG2      DPR  19 -11.080  -3.934  -3.088
  162    HD2  DPR  19           HD1      DPR  19  -8.264  -3.008  -2.712
  163    HD3  DPR  19           HD2      DPR  19  -8.877  -4.564  -3.310
  164    HA   PRO  20           HA       PRO  20  -9.523  -1.886   3.270
  165    HB2  PRO  20           HB2      PRO  20 -10.136  -3.570   5.261
  166    HB3  PRO  20           HB1      PRO  20 -11.387  -2.736   4.334
  167    HG2  PRO  20           HG2      PRO  20 -10.391  -5.546   4.066
  168    HG3  PRO  20           HG1      PRO  20 -12.057  -4.942   4.030
  169    HD2  PRO  20           HD2      PRO  20 -10.615  -5.536   1.783
  170    HD3  PRO  20           HD1      PRO  20 -11.921  -4.336   1.830
  171    H    ARG  21           HN       ARG  21  -8.014  -4.666   2.118
  172    HA   ARG  21           HA       ARG  21  -6.041  -4.656   4.307
  173    HB2  ARG  21           HB2      ARG  21  -6.516  -6.771   2.202
  174    HB3  ARG  21           HB1      ARG  21  -5.352  -6.870   3.516
  175    HG2  ARG  21           HG2      ARG  21  -8.342  -6.741   3.814
  176    HG3  ARG  21           HG1      ARG  21  -7.342  -8.182   3.983
  177    HD2  ARG  21           HD2      ARG  21  -6.193  -7.156   5.885
  178    HD3  ARG  21           HD1      ARG  21  -7.190  -5.712   5.710
  179    HE   ARG  21           HE       ARG  21  -8.621  -8.210   6.083
  180   HH11  ARG  21          HH11      ARG  21  -7.261  -5.363   7.614
  181   HH12  ARG  21          HH12      ARG  21  -8.298  -5.465   9.002
  182   HH21  ARG  21          HH21      ARG  21  -9.968  -8.349   7.915
  183   HH22  ARG  21          HH22      ARG  21  -9.827  -7.166   9.176
  184    H    TYR  22           HN       TYR  22  -3.795  -4.805   3.746
  185    HA   TYR  22           HA       TYR  22  -3.126  -3.958   1.020
  186    HB2  TYR  22           HB2      TYR  22  -2.050  -2.652   3.532
  187    HB3  TYR  22           HB1      TYR  22  -1.552  -2.282   1.888
  188    HD1  TYR  22           HD1      TYR  22  -2.962  -0.983   0.425
  189    HD2  TYR  22           HD2      TYR  22  -4.199  -1.911   4.384
  190    HE1  TYR  22           HE1      TYR  22  -4.723   0.717   0.264
  191    HE2  TYR  22           HE2      TYR  22  -5.964  -0.212   4.239
  192    HH   TYR  22           HH       TYR  22  -6.447   1.840   2.950
  193    H    GLU  23           HN       GLU  23  -1.192  -4.705   0.280
  194    HA   GLU  23           HA       GLU  23   0.261  -6.562   2.051
  195    HB2  GLU  23           HB2      GLU  23  -0.146  -6.537  -0.929
  196    HB3  GLU  23           HB1      GLU  23   1.127  -7.478  -0.182
  197    HG2  GLU  23           HG2      GLU  23  -1.771  -7.773   0.533
  198    HG3  GLU  23           HG1      GLU  23  -0.975  -8.720  -0.724
  199    H    VAL  24           HN       VAL  24   2.080  -5.698   2.799
  200    HA   VAL  24           HA       VAL  24   3.554  -3.828   1.081
  201    HB   VAL  24           HB       VAL  24   3.800  -4.290   4.062
  202   HG11  VAL  24          HG11      VAL  24   5.228  -2.312   2.285
  203   HG12  VAL  24          HG12      VAL  24   5.954  -3.717   3.065
  204   HG13  VAL  24          HG13      VAL  24   5.338  -2.384   4.043
  205   HG21  VAL  24          HG21      VAL  24   2.725  -1.940   2.506
  206   HG22  VAL  24          HG22      VAL  24   2.891  -2.028   4.260
  207   HG23  VAL  24          HG23      VAL  24   1.764  -3.098   3.425
  208    H    HIS  25           HN       HIS  25   4.926  -4.903  -0.141
  209    HA   HIS  25           HA       HIS  25   6.447  -7.121   1.052
  210    HB2  HIS  25           HB2      HIS  25   5.582  -6.595  -1.784
  211    HB3  HIS  25           HB1      HIS  25   6.824  -7.772  -1.389
  212    HD1  HIS  25           HD1      HIS  25   5.922 -10.063  -1.245
  213    HD2  HIS  25           HD2      HIS  25   3.105  -7.228  -0.122
  214    HE1  HIS  25           HE1      HIS  25   3.841 -11.361  -0.693
  215    HE2  HIS  25           HE2      HIS  25   2.209  -9.639   0.172
  216    H    CYS  26           HN       CYS  26   8.289  -6.290   1.773
  217    HA   CYS  26           HA       CYS  26   9.731  -4.340   0.153
  218    HB2  CYS  26           HB2      CYS  26  10.233  -5.354   2.959
  219    HB3  CYS  26           HB1      CYS  26  11.188  -4.116   2.148
  220    HN1  NH2  27           HN1      NH2  27  10.290  -5.836  -1.485
  221    HN2  NH2  27           HN2      NH2  27  11.564  -6.980  -1.252
  Start of MODEL   10
    1    H1   ASN   1           HT1      ASN   1  -8.881   6.429  -4.966
    2    H2   ASN   1           HT2      ASN   1  -7.960   7.842  -4.841
    3    H3   ASN   1           HT3      ASN   1  -8.094   6.795  -3.517
    4    HA   ASN   1           HA       ASN   1  -6.907   5.084  -4.663
    5    HB2  ASN   1           HB2      ASN   1  -5.951   5.458  -6.864
    6    HB3  ASN   1           HB1      ASN   1  -7.692   5.703  -6.936
    7   HD21  ASN   1          HD21      ASN   1  -5.556   6.690  -8.673
    8   HD22  ASN   1          HD22      ASN   1  -5.719   8.413  -8.685
    9    H    ASP   2           HN       ASP   2  -6.561   8.009  -3.330
   10    HA   ASP   2           HA       ASP   2  -3.762   8.444  -3.880
   11    HB2  ASP   2           HB2      ASP   2  -3.908  10.339  -2.383
   12    HB3  ASP   2           HB1      ASP   2  -5.280  10.357  -3.485
   13    H    LYS   3           HN       LYS   3  -5.630   6.783  -1.468
   14    HA   LYS   3           HA       LYS   3  -3.752   6.836   0.631
   15    HB2  LYS   3           HB2      LYS   3  -6.082   6.188   0.997
   16    HB3  LYS   3           HB1      LYS   3  -5.857   4.762  -0.001
   17    HG2  LYS   3           HG2      LYS   3  -5.808   4.127   2.306
   18    HG3  LYS   3           HG1      LYS   3  -4.199   3.922   1.616
   19    HD2  LYS   3           HD2      LYS   3  -3.910   4.915   3.756
   20    HD3  LYS   3           HD1      LYS   3  -3.622   6.182   2.567
   21    HE2  LYS   3           HE2      LYS   3  -6.004   6.896   2.886
   22    HE3  LYS   3           HE1      LYS   3  -6.103   5.748   4.216
   23    HZ1  LYS   3           HZ1      LYS   3  -4.282   6.947   5.304
   24    HZ2  LYS   3           HZ2      LYS   3  -5.623   7.940   5.044
   25    HZ3  LYS   3           HZ3      LYS   3  -4.269   8.073   4.044
   26    H    CYS   4           HN       CYS   4  -4.258   4.604  -2.046
   27    HA   CYS   4           HA       CYS   4  -2.349   2.686  -1.355
   28    HB2  CYS   4           HB2      CYS   4  -3.415   3.585  -4.027
   29    HB3  CYS   4           HB1      CYS   4  -2.283   2.247  -3.864
   30    H    LYS   5           HN       LYS   5  -2.036   5.749  -3.037
   31    HA   LYS   5           HA       LYS   5   0.712   5.347  -3.735
   32    HB2  LYS   5           HB2      LYS   5  -1.026   7.819  -3.735
   33    HB3  LYS   5           HB1      LYS   5   0.631   7.784  -4.328
   34    HG2  LYS   5           HG2      LYS   5  -0.006   6.137  -6.016
   35    HG3  LYS   5           HG1      LYS   5  -1.666   6.168  -5.420
   36    HD2  LYS   5           HD2      LYS   5  -1.825   8.540  -5.990
   37    HD3  LYS   5           HD1      LYS   5  -0.162   8.512  -6.577
   38    HE2  LYS   5           HE2      LYS   5  -2.447   6.885  -7.685
   39    HE3  LYS   5           HE1      LYS   5  -1.786   8.349  -8.409
   40    HZ1  LYS   5           HZ1      LYS   5  -0.350   5.777  -8.018
   41    HZ2  LYS   5           HZ2      LYS   5   0.351   7.194  -8.621
   42    HZ3  LYS   5           HZ3      LYS   5  -0.877   6.428  -9.490
   43    H    GLU   6           HN       GLU   6  -1.029   6.957  -1.138
   44    HA   GLU   6           HA       GLU   6   1.160   8.231   0.075
   45    HB2  GLU   6           HB2      GLU   6  -1.444   7.192   1.183
   46    HB3  GLU   6           HB1      GLU   6  -0.258   8.005   2.192
   47    HG2  GLU   6           HG2      GLU   6  -1.574   9.192  -0.239
   48    HG3  GLU   6           HG1      GLU   6  -2.036   9.503   1.432
   49    H    LEU   7           HN       LEU   7  -0.276   5.041   0.583
   50    HA   LEU   7           HA       LEU   7   1.590   4.182   2.523
   51    HB2  LEU   7           HB2      LEU   7  -0.206   2.663   0.646
   52    HB3  LEU   7           HB1      LEU   7   0.750   1.897   1.899
   53    HG   LEU   7           HG       LEU   7  -1.244   4.057   2.547
   54   HD11  LEU   7          HD11      LEU   7  -1.747   1.087   2.415
   55   HD12  LEU   7          HD12      LEU   7  -2.453   2.309   1.359
   56   HD13  LEU   7          HD13      LEU   7  -2.850   2.295   3.076
   57   HD21  LEU   7          HD21      LEU   7   0.430   3.481   4.246
   58   HD22  LEU   7          HD22      LEU   7  -0.081   1.795   4.166
   59   HD23  LEU   7          HD23      LEU   7  -1.197   3.029   4.748
   60    H    LYS   8           HN       LYS   8   1.473   3.954  -0.986
   61    HA   LYS   8           HA       LYS   8   3.655   2.289  -1.430
   62    HB2  LYS   8           HB2      LYS   8   2.131   2.972  -3.200
   63    HB3  LYS   8           HB1      LYS   8   2.661   4.641  -3.049
   64    HG2  LYS   8           HG2      LYS   8   4.895   3.993  -3.799
   65    HG3  LYS   8           HG1      LYS   8   4.349   2.324  -3.965
   66    HD2  LYS   8           HD2      LYS   8   2.708   3.018  -5.632
   67    HD3  LYS   8           HD1      LYS   8   3.226   4.695  -5.452
   68    HE2  LYS   8           HE2      LYS   8   4.215   3.640  -7.430
   69    HE3  LYS   8           HE1      LYS   8   5.442   4.123  -6.262
   70    HZ1  LYS   8           HZ1      LYS   8   4.372   1.371  -6.569
   71    HZ2  LYS   8           HZ2      LYS   8   5.601   1.850  -5.513
   72    HZ3  LYS   8           HZ3      LYS   8   5.852   1.911  -7.183
   73    H    LYS   9           HN       LYS   9   3.566   5.815  -1.010
   74    HA   LYS   9           HA       LYS   9   6.411   6.092  -1.234
   75    HB2  LYS   9           HB2      LYS   9   4.160   7.909  -0.474
   76    HB3  LYS   9           HB1      LYS   9   5.806   8.391  -0.104
   77    HG2  LYS   9           HG2      LYS   9   5.114   9.381  -2.182
   78    HG3  LYS   9           HG1      LYS   9   6.377   8.198  -2.493
   79    HD2  LYS   9           HD2      LYS   9   4.764   6.605  -3.288
   80    HD3  LYS   9           HD1      LYS   9   3.430   7.657  -2.810
   81    HE2  LYS   9           HE2      LYS   9   3.750   7.834  -5.186
   82    HE3  LYS   9           HE1      LYS   9   4.241   9.346  -4.428
   83    HZ1  LYS   9           HZ1      LYS   9   6.554   8.603  -4.586
   84    HZ2  LYS   9           HZ2      LYS   9   5.821   8.691  -6.105
   85    HZ3  LYS   9           HZ3      LYS   9   6.054   7.190  -5.366
   86    H    ARG  10           HN       ARG  10   4.119   5.769   1.391
   87    HA   ARG  10           HA       ARG  10   5.796   6.407   3.546
   88    HB2  ARG  10           HB2      ARG  10   3.390   6.308   3.768
   89    HB3  ARG  10           HB1      ARG  10   3.388   4.601   3.362
   90    HG2  ARG  10           HG2      ARG  10   4.536   4.073   5.427
   91    HG3  ARG  10           HG1      ARG  10   4.628   5.793   5.830
   92    HD2  ARG  10           HD2      ARG  10   2.260   5.957   6.028
   93    HD3  ARG  10           HD1      ARG  10   2.027   4.355   5.338
   94    HE   ARG  10           HE       ARG  10   3.551   4.067   7.661
   95   HH11  ARG  10          HH11      ARG  10  -0.402   4.570   8.196
   96   HH12  ARG  10          HH12      ARG  10   0.343   5.082   6.716
   97   HH21  ARG  10          HH21      ARG  10   2.581   3.376   9.619
   98   HH22  ARG  10          HH22      ARG  10   0.877   3.593   9.853
   99    H    TYR  11           HN       TYR  11   5.244   3.388   1.822
  100    HA   TYR  11           HA       TYR  11   6.963   1.971   3.693
  101    HB2  TYR  11           HB2      TYR  11   5.107   1.105   1.516
  102    HB3  TYR  11           HB1      TYR  11   6.340  -0.000   2.111
  103    HD1  TYR  11           HD1      TYR  11   6.145  -1.041   4.229
  104    HD2  TYR  11           HD2      TYR  11   3.360   1.959   3.075
  105    HE1  TYR  11           HE1      TYR  11   4.734  -1.621   6.155
  106    HE2  TYR  11           HE2      TYR  11   1.942   1.389   4.998
  107    HH   TYR  11           HH       TYR  11   1.527  -0.403   6.520
  108    H    ORN  12           HT1      ORN  12  12.945   1.754  -1.902
  109    HA   ORN  12           HA       ORN  12  11.197   1.251  -0.314
  110    HB2  ORN  12           HB1      ORN  12  10.143   2.380  -2.922
  111    HB3  ORN  12           HB2      ORN  12  11.086   3.288  -1.749
  112    HG2  ORN  12           HG1      ORN  12   8.435   2.004  -1.130
  113    HG3  ORN  12           HG2      ORN  12   8.625   3.682  -1.641
  114    HD2  ORN  12           HD1      ORN  12   9.712   4.287   0.310
  115    HD3  ORN  12           HD2      ORN  12  10.169   2.632   0.690
  116    HE1  ORN  12           HE       ORN  12   7.627   3.911   1.257
  117    H    CYS  13           HN       CYS  13   9.270   0.189   0.181
  118    HA   CYS  13           HA       CYS  13   8.745  -2.160  -1.437
  119    HB2  CYS  13           HB2      CYS  13   7.372  -1.330   1.117
  120    HB3  CYS  13           HB1      CYS  13   7.438  -2.937   0.412
  121    H    GLU  14           HN       GLU  14   6.830  -2.593  -2.467
  122    HA   GLU  14           HA       GLU  14   5.040  -0.289  -2.841
  123    HB2  GLU  14           HB2      GLU  14   5.387  -2.769  -4.530
  124    HB3  GLU  14           HB1      GLU  14   4.327  -1.418  -4.904
  125    HG2  GLU  14           HG2      GLU  14   6.298   0.045  -5.073
  126    HG3  GLU  14           HG1      GLU  14   7.333  -1.351  -4.766
  127    H    VAL  15           HN       VAL  15   2.916  -0.447  -2.298
  128    HA   VAL  15           HA       VAL  15   2.189  -2.896  -0.883
  129    HB   VAL  15           HB       VAL  15   0.431  -1.651   0.209
  130   HG11  VAL  15          HG11      VAL  15   2.691  -1.538   1.150
  131   HG12  VAL  15          HG12      VAL  15   1.765  -0.076   1.485
  132   HG13  VAL  15          HG13      VAL  15   2.998  -0.068   0.225
  133   HG21  VAL  15          HG21      VAL  15  -0.227  -0.201  -1.639
  134   HG22  VAL  15          HG22      VAL  15   1.278   0.703  -1.474
  135   HG23  VAL  15          HG23      VAL  15   0.087   0.734  -0.176
  136    H    ARG  16           HN       ARG  16   0.465  -4.104  -1.366
  137    HA   ARG  16           HA       ARG  16  -0.916  -3.538  -3.895
  138    HB2  ARG  16           HB2      ARG  16   0.254  -5.735  -3.656
  139    HB3  ARG  16           HB1      ARG  16  -0.813  -6.112  -2.313
  140    HG2  ARG  16           HG2      ARG  16  -2.740  -5.817  -3.912
  141    HG3  ARG  16           HG1      ARG  16  -1.541  -5.775  -5.208
  142    HD2  ARG  16           HD2      ARG  16  -2.047  -8.020  -3.260
  143    HD3  ARG  16           HD1      ARG  16  -2.410  -8.011  -4.984
  144    HE   ARG  16           HE       ARG  16   0.319  -7.549  -4.729
  145   HH11  ARG  16          HH11      ARG  16  -1.968 -10.110  -4.034
  146   HH12  ARG  16          HH12      ARG  16  -0.789 -11.373  -4.183
  147   HH21  ARG  16          HH21      ARG  16   1.394 -10.858  -4.685
  148   HH22  ARG  16          HH22      ARG  16   1.872  -9.204  -4.918
  149    H    CYS  17           HN       CYS  17  -2.895  -2.756  -3.761
  150    HA   CYS  17           HA       CYS  17  -4.177  -2.634  -1.172
  151    HB2  CYS  17           HB2      CYS  17  -5.042  -1.455  -3.817
  152    HB3  CYS  17           HB1      CYS  17  -5.665  -1.027  -2.227
  153    H    ASP  18           HN       ASP  18  -5.279  -4.366  -0.592
  154    HA   ASP  18           HA       ASP  18  -7.137  -5.556  -2.544
  155    HB2  ASP  18           HB2      ASP  18  -5.235  -7.048  -1.717
  156    HB3  ASP  18           HB1      ASP  18  -5.999  -6.975  -0.132
  157    HA   DPR  19           HA       DPR  19 -10.569  -4.652   0.144
  158    HB2  DPR  19           HB1      DPR  19 -10.352  -1.904  -0.934
  159    HB3  DPR  19           HB2      DPR  19 -11.739  -2.996  -0.897
  160    HG2  DPR  19           HG1      DPR  19 -10.411  -2.530  -3.161
  161    HG3  DPR  19           HG2      DPR  19 -11.059  -4.136  -2.787
  162    HD2  DPR  19           HD1      DPR  19  -8.245  -3.144  -2.645
  163    HD3  DPR  19           HD2      DPR  19  -8.861  -4.738  -3.123
  164    HA   PRO  20           HA       PRO  20  -9.304  -1.828   3.395
  165    HB2  PRO  20           HB2      PRO  20  -9.807  -3.461   5.457
  166    HB3  PRO  20           HB1      PRO  20 -11.108  -2.703   4.535
  167    HG2  PRO  20           HG2      PRO  20 -10.027  -5.486   4.342
  168    HG3  PRO  20           HG1      PRO  20 -11.711  -4.939   4.326
  169    HD2  PRO  20           HD2      PRO  20 -10.298  -5.566   2.068
  170    HD3  PRO  20           HD1      PRO  20 -11.649  -4.418   2.102
  171    H    ARG  21           HN       ARG  21  -7.694  -4.490   2.218
  172    HA   ARG  21           HA       ARG  21  -5.658  -4.383   4.346
  173    HB2  ARG  21           HB2      ARG  21  -6.160  -6.585   2.340
  174    HB3  ARG  21           HB1      ARG  21  -4.938  -6.601   3.604
  175    HG2  ARG  21           HG2      ARG  21  -6.765  -6.460   5.283
  176    HG3  ARG  21           HG1      ARG  21  -7.924  -6.637   3.962
  177    HD2  ARG  21           HD2      ARG  21  -6.874  -8.783   3.366
  178    HD3  ARG  21           HD1      ARG  21  -5.770  -8.606   4.729
  179    HE   ARG  21           HE       ARG  21  -8.609  -9.263   4.842
  180   HH11  ARG  21          HH11      ARG  21  -5.696  -8.406   6.590
  181   HH12  ARG  21          HH12      ARG  21  -6.251  -9.073   8.090
  182   HH21  ARG  21          HH21      ARG  21  -9.346 -10.121   6.816
  183   HH22  ARG  21          HH22      ARG  21  -8.327 -10.050   8.221
  184    H    TYR  22           HN       TYR  22  -3.497  -4.216   3.790
  185    HA   TYR  22           HA       TYR  22  -2.892  -3.712   0.961
  186    HB2  TYR  22           HB2      TYR  22  -1.877  -2.069   3.291
  187    HB3  TYR  22           HB1      TYR  22  -1.392  -1.875   1.613
  188    HD1  TYR  22           HD1      TYR  22  -2.833  -0.788   0.020
  189    HD2  TYR  22           HD2      TYR  22  -4.104  -1.381   4.035
  190    HE1  TYR  22           HE1      TYR  22  -4.682   0.784  -0.342
  191    HE2  TYR  22           HE2      TYR  22  -5.958   0.191   3.686
  192    HH   TYR  22           HH       TYR  22  -6.916   1.257   0.618
  193    H    GLU  23           HN       GLU  23  -1.507  -5.196   0.343
  194    HA   GLU  23           HA       GLU  23   0.183  -6.551   2.280
  195    HB2  GLU  23           HB2      GLU  23  -0.273  -6.998  -0.672
  196    HB3  GLU  23           HB1      GLU  23   0.855  -7.940   0.288
  197    HG2  GLU  23           HG2      GLU  23  -2.103  -7.738   0.794
  198    HG3  GLU  23           HG1      GLU  23  -1.294  -9.073  -0.026
  199    H    VAL  24           HN       VAL  24   2.451  -6.618   2.167
  200    HA   VAL  24           HA       VAL  24   3.557  -4.220   0.884
  201    HB   VAL  24           HB       VAL  24   4.585  -5.715   3.305
  202   HG11  VAL  24          HG11      VAL  24   6.379  -4.654   2.029
  203   HG12  VAL  24          HG12      VAL  24   6.123  -3.832   3.568
  204   HG13  VAL  24          HG13      VAL  24   5.511  -3.119   2.075
  205   HG21  VAL  24          HG21      VAL  24   3.845  -3.757   4.575
  206   HG22  VAL  24          HG22      VAL  24   2.492  -4.531   3.751
  207   HG23  VAL  24          HG23      VAL  24   3.185  -3.045   3.100
  208    H    HIS  25           HN       HIS  25   4.696  -4.609  -0.863
  209    HA   HIS  25           HA       HIS  25   6.251  -7.106  -1.020
  210    HB2  HIS  25           HB2      HIS  25   4.463  -6.851  -2.732
  211    HB3  HIS  25           HB1      HIS  25   5.248  -5.383  -3.295
  212    HD1  HIS  25           HD1      HIS  25   5.442  -9.082  -3.478
  213    HD2  HIS  25           HD2      HIS  25   7.678  -5.805  -4.716
  214    HE1  HIS  25           HE1      HIS  25   7.091  -9.977  -5.149
  215    HE2  HIS  25           HE2      HIS  25   8.501  -7.995  -5.804
  216    H    CYS  26           HN       CYS  26   8.178  -6.493  -0.186
  217    HA   CYS  26           HA       CYS  26   9.407  -3.998  -0.990
  218    HB2  CYS  26           HB2      CYS  26  10.385  -6.198   0.837
  219    HB3  CYS  26           HB1      CYS  26  11.219  -4.671   0.564
  220    HN1  NH2  27           HN1      NH2  27  10.709  -7.299  -0.858
  221    HN2  NH2  27           HN2      NH2  27  11.539  -7.213  -2.371